=============================================================================== About this build: this rebuild has been done as part of reproduce.debian.net where we aim to reproduce Debian binary packages distributed via ftp.debian.org, by rebuilding using the exact same packages as the original build on the buildds, as described in the relevant .buildinfo file from buildinfos.debian.net. For more information please go to https://reproduce.debian.net or join #debian-reproducible on irc.debian.org =============================================================================== Preparing download of sources for /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs/openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo Source: openbabel Version: 3.2.0+dfsg-1~exp rebuilderd-worker node: infom08-amd64 +------------------------------------------------------------------------------+ | Downloading sources Mon, 29 Jun 2026 13:19:38 +0000 | +------------------------------------------------------------------------------+ Get:1 https://deb.debian.org/debian trixie InRelease [140 kB] Get:2 https://deb.debian.org/debian-security trixie-security InRelease [43.4 kB] Get:3 https://deb.debian.org/debian trixie-updates InRelease [47.3 kB] Get:4 https://deb.debian.org/debian trixie-proposed-updates InRelease [57.6 kB] Get:5 https://deb.debian.org/debian trixie-backports InRelease [54.0 kB] Get:6 https://deb.debian.org/debian forky InRelease [151 kB] Get:7 https://deb.debian.org/debian sid InRelease [193 kB] Get:8 https://deb.debian.org/debian experimental InRelease [91.7 kB] Get:9 https://deb.debian.org/debian trixie/non-free-firmware Sources [6552 B] Get:10 https://deb.debian.org/debian trixie/main Sources [10.5 MB] Get:11 https://deb.debian.org/debian-security trixie-security/non-free-firmware Sources [696 B] Get:12 https://deb.debian.org/debian-security trixie-security/main Sources [182 kB] Get:13 https://deb.debian.org/debian trixie-updates/main Sources [2788 B] Get:14 https://deb.debian.org/debian trixie-proposed-updates/main Sources [128 kB] Get:15 https://deb.debian.org/debian trixie-backports/main Sources [271 kB] Get:16 https://deb.debian.org/debian trixie-backports/non-free-firmware Sources [3376 B] Get:17 https://deb.debian.org/debian forky/non-free-firmware Sources [8524 B] Get:18 https://deb.debian.org/debian forky/main Sources [11.0 MB] Get:19 https://deb.debian.org/debian sid/main Sources [11.6 MB] Get:20 https://deb.debian.org/debian sid/non-free-firmware Sources [10.8 kB] Get:21 https://deb.debian.org/debian experimental/non-free-firmware Sources [2568 B] Get:22 https://deb.debian.org/debian experimental/main Sources [393 kB] Fetched 34.9 MB in 3s (13.9 MB/s) Reading package lists... 'https://deb.debian.org/debian/pool/main/o/openbabel/openbabel_3.2.0%2bdfsg-1%7eexp.dsc' openbabel_3.2.0+dfsg-1~exp.dsc 2830 SHA256:a8ed225b940cb4f1fc6949d3b82b19cea193e99169a396dbf2362d4e84cc9faa 'https://deb.debian.org/debian/pool/main/o/openbabel/openbabel_3.2.0%2bdfsg.orig.tar.xz' openbabel_3.2.0+dfsg.orig.tar.xz 20938620 SHA256:6e26bfdcf081f61f3198434e52ee90d6963dc7750b15bc2eb3be863a54e13d8f 'https://deb.debian.org/debian/pool/main/o/openbabel/openbabel_3.2.0%2bdfsg-1%7eexp.debian.tar.xz' openbabel_3.2.0+dfsg-1~exp.debian.tar.xz 19120 SHA256:a05ceb6efb62e37c5f81fc91611e7d0946ccc0222b79616b93cedcbce1745a79 6e26bfdcf081f61f3198434e52ee90d6963dc7750b15bc2eb3be863a54e13d8f openbabel_3.2.0+dfsg.orig.tar.xz a05ceb6efb62e37c5f81fc91611e7d0946ccc0222b79616b93cedcbce1745a79 openbabel_3.2.0+dfsg-1~exp.debian.tar.xz a8ed225b940cb4f1fc6949d3b82b19cea193e99169a396dbf2362d4e84cc9faa openbabel_3.2.0+dfsg-1~exp.dsc +------------------------------------------------------------------------------+ | Calling debrebuild Mon, 29 Jun 2026 13:19:41 +0000 | +------------------------------------------------------------------------------+ Rebuilding openbabel=3.2.0+dfsg-1~exp in /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs now. + nice /usr/bin/debrebuild --buildresult=/srv/rebuilderd/tmp/rebuilderdMS5Ylc/out --builder=sbuild+unshare --cache=/srv/rebuilderd/cache -- /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs/openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs/openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo contains a GPG signature which has NOT been validated Using defined Build-Path: /build/reproducible-path/openbabel-3.2.0+dfsg I: verifying dsc... successful! Get:1 http://deb.debian.org/debian unstable InRelease [193 kB] Get:2 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable InRelease [189 kB] Get:3 http://snapshot.debian.org/archive/debian/20260628T204121Z rc-buggy InRelease [91.7 kB] Get:4 http://deb.debian.org/debian unstable/main i386 Packages [10.2 MB] Get:5 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 Packages [10.2 MB] Ign:5 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 Packages Get:6 http://snapshot.debian.org/archive/debian/20260628T204121Z rc-buggy/main i386 Packages [355 kB] Get:5 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 Packages [10.2 MB] Fetched 21.3 MB in 2s (8535 kB/s) Reading package lists... W: http://snapshot.debian.org/archive/debian/20260626T203506Z/dists/unstable/InRelease: Loading /etc/apt/trusted.gpg from deprecated option Dir::Etc::Trusted W: http://snapshot.debian.org/archive/debian/20260628T204121Z/dists/rc-buggy/InRelease: Loading /etc/apt/trusted.gpg from deprecated option Dir::Etc::Trusted Get:1 http://deb.debian.org/debian unstable/main i386 python3-all i386 3.14.6-1 [1052 B] Fetched 1052 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuz7u1nut/python3-all_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcdt6 i386 14.1.2-1+b2 [18.5 kB] Fetched 18.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1pkmknvp/libcdt6_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 ncurses-bin i386 6.6+20251231-1+b1 [444 kB] Fetched 444 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1cqvcuv1/ncurses-bin_6.6+20251231-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3.13-stdlib i386 3.13.14-1 [1986 kB] Fetched 1986 kB in 0s (97.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpagsy6j_u/libpython3.13-stdlib_3.13.14-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libhogweed6t64 i386 3.10.2-1+b1 [338 kB] Fetched 338 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp751frrmg/libhogweed6t64_3.10.2-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-graph-parallel1.90.0 i386 1.90.0-6 [272 kB] Fetched 272 kB in 0s (24.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpt6so7gsf/libboost-graph-parallel1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 debhelper all 14.2 [933 kB] Fetched 933 kB in 0s (85.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa5humdad/debhelper_14.2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgl1 i386 1.7.0-3+b1 [80.7 kB] Fetched 80.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppr_h81px/libgl1_1.7.0-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libquadmath0 i386 16.1.0-2 [231 kB] Fetched 231 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqm2bhmpm/libquadmath0_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 mpich i386 5.0.1-5 [263 kB] Fetched 263 kB in 0s (25.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmzrflrln/mpich_5.0.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libicu78 i386 78.3-2 [10.2 MB] Fetched 10.2 MB in 0s (226 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9neuorgp/libicu78_78.3-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libitm1 i386 16.1.0-2 [28.9 kB] Fetched 28.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgr65fs2q/libitm1_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 build-essential i386 12.12 [4620 B] Fetched 4620 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_47y_l4e/build-essential_12.12_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libx11-xcb1 i386 2:1.8.13-1 [250 kB] Fetched 250 kB in 0s (21.6 MB/s) dpkg-name: info: moved 'libx11-xcb1_2%3a1.8.13-1_i386.deb' to '/srv/rebuilderd/tmp/tmpci7rvwdo/libx11-xcb1_1.8.13-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsharpyuv0 i386 1.5.0-0.1+b2 [115 kB] Fetched 115 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxp5yf3vz/libsharpyuv0_1.5.0-0.1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-random1.90-dev i386 1.90.0-6 [233 kB] Fetched 233 kB in 0s (21.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp77gtd8a0/libboost-random1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gcc-15 i386 15.3.0-1 [546 kB] Fetched 546 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1y2xmahe/gcc-15_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsdl2-2.0-0 i386 2.32.70+ds-1 [124 kB] Fetched 124 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplt1cta56/libsdl2-2.0-0_2.32.70+ds-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-process1.90-dev i386 1.90.0-6 [261 kB] Fetched 261 kB in 0s (22.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnn5xs4dx/libboost-process1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpaper-utils i386 2.2.5-0.4 [15.7 kB] Fetched 15.7 kB in 0s (1479 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmawm8_75/libpaper-utils_2.2.5-0.4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-glx0 i386 1.17.0-2+b2 [124 kB] Fetched 124 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6f_vlsff/libxcb-glx0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-sync1 i386 1.17.0-2+b2 [109 kB] Fetched 109 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5sn0we20/libxcb-sync1_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxrender1 i386 1:0.9.12-1+b2 [29.1 kB] Fetched 29.1 kB in 0s (0 B/s) dpkg-name: info: moved 'libxrender1_1%3a0.9.12-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpkt94pty4/libxrender1_0.9.12-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libngtcp2-crypto-ossl0 i386 1.22.1-1 [24.1 kB] Fetched 24.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg1rh0f59/libngtcp2-crypto-ossl0_1.22.1-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-mpi-python-dev i386 1.90.0.2 [2988 B] Fetched 2988 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsmmonyc8/libboost-mpi-python-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3.14 i386 3.14.6-1 [2338 kB] Fetched 2338 kB in 0s (154 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3qjzxpl4/libpython3.14_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcomposite1 i386 1:0.4.6-1+b2 [16.8 kB] Fetched 16.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libxcomposite1_1%3a0.4.6-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmp_m3xdxm4/libxcomposite1_0.4.6-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 hwloc-nox i386 2.14.0-2 [235 kB] Fetched 235 kB in 0s (23.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwb1z4ezg/hwloc-nox_2.14.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libhwy1t64 i386 1.3.0-2+b1 [844 kB] Fetched 844 kB in 0s (78.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp60j0v0xx/libhwy1t64_1.3.0-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpixman-1-dev i386 0.46.4-1+b2 [12.0 kB] Fetched 12.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5ktke9mm/libpixman-1-dev_0.46.4-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-charconv1.90.0 i386 1.90.0-6 [321 kB] Fetched 321 kB in 0s (26.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl2c4uech/libboost-charconv1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libunistring5 i386 1.4.2-1 [473 kB] Fetched 473 kB in 0s (42.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp99q_opqw/libunistring5_1.4.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpulse0 i386 17.0+dfsg1-2.1+b1 [274 kB] Fetched 274 kB in 0s (23.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpedhc9cph/libpulse0_17.0+dfsg1-2.1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsasl2-2 i386 2.1.28+dfsg1-11 [58.7 kB] Fetched 58.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp10lu4hho/libsasl2-2_2.1.28+dfsg1-11_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 cpp-15-i686-linux-gnu i386 15.3.0-1 [12.9 MB] Fetched 12.9 MB in 0s (257 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9wvybq9r/cpp-15-i686-linux-gnu_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmaeparser1 i386 1.3.3-4+b1 [99.8 kB] Fetched 99.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqqxcqb4c/libmaeparser1_1.3.3-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gcc-i686-linux-gnu i386 4:15.2.0-5+b1 [1432 B] Fetched 1432 B in 0s (0 B/s) dpkg-name: info: moved 'gcc-i686-linux-gnu_4%3a15.2.0-5+b1_i386.deb' to '/srv/rebuilderd/tmp/tmpdyzhf6nl/gcc-i686-linux-gnu_15.2.0-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmpg123-0t64 i386 1.33.6-1 [153 kB] Fetched 153 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv8yl6pqf/libmpg123-0t64_1.33.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgl1-mesa-dri i386 26.1.2-1 [42.2 kB] Fetched 42.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpamhqxxro/libgl1-mesa-dri_26.1.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmagic1t64 i386 1:5.47-4 [118 kB] Fetched 118 kB in 0s (0 B/s) dpkg-name: info: moved 'libmagic1t64_1%3a5.47-4_i386.deb' to '/srv/rebuilderd/tmp/tmpqkar0r9t/libmagic1t64_5.47-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcairo-gobject2 i386 1.18.4-3+b1 [128 kB] Fetched 128 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkbwcouxr/libcairo-gobject2_1.18.4-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpcre2-16-0 i386 10.46-1+b2 [277 kB] Fetched 277 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp58yfcxt2/libpcre2-16-0_10.46-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 automake all 1:1.18.1-4 [877 kB] Fetched 877 kB in 0s (72.5 MB/s) dpkg-name: info: moved 'automake_1%3a1.18.1-4_all.deb' to '/srv/rebuilderd/tmp/tmpo024_ucj/automake_1.18.1-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libopengl0 i386 1.7.0-3+b1 [28.7 kB] Fetched 28.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpt178g8ge/libopengl0_1.7.0-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 librav1e0.8 i386 0.8.1-10 [767 kB] Fetched 767 kB in 0s (50.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppje1hbkg/librav1e0.8_0.8.1-10_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 autotools-dev all 20240727.1+nmu1 [60.0 kB] Fetched 60.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp53e_6z8q/autotools-dev_20240727.1+nmu1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgio-2.0-dev i386 2.88.2-1 [1812 kB] Fetched 1812 kB in 0s (123 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpag130ho1/libgio-2.0-dev_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-atomic1.90-dev i386 1.90.0-6 [228 kB] Fetched 228 kB in 0s (21.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplh1ll1sc/libboost-atomic1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-test1.90.0 i386 1.90.0-6 [479 kB] Fetched 479 kB in 0s (41.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg68noezl/libboost-test1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libkeyutils1 i386 1.6.3-6+b2 [9816 B] Fetched 9816 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpj0gvtus6/libkeyutils1_1.6.3-6+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gcc i386 4:15.2.0-5+b1 [5152 B] Fetched 5152 B in 0s (0 B/s) dpkg-name: info: moved 'gcc_4%3a15.2.0-5+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp_m4auzsm/gcc_15.2.0-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmd0 i386 1.2.0-2 [46.4 kB] Fetched 46.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwwfy0j1e/libmd0_1.2.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgraphite2-3 i386 1.3.15-2 [78.2 kB] Fetched 78.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9sr0w4i4/libgraphite2-3_1.3.15-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpcre2-posix3 i386 10.46-1+b2 [63.2 kB] Fetched 63.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl7ac2xpc/libpcre2-posix3_10.46-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libperl5.40 i386 5.40.1-8 [3964 kB] Fetched 3964 kB in 0s (161 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8py8mjv0/libperl5.40_5.40.1-8_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxinerama1 i386 2:1.1.4-3+b5 [16.2 kB] Fetched 16.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libxinerama1_2%3a1.1.4-3+b5_i386.deb' to '/srv/rebuilderd/tmp/tmp5yb3ncni/libxinerama1_1.1.4-3+b5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-iostreams1.90-dev i386 1.90.0-6 [256 kB] Fetched 256 kB in 0s (20.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprye48rc2/libboost-iostreams1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-json-dev i386 1.90.0.2 [2972 B] Fetched 2972 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpberw54g_/libboost-json-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-more-itertools all 10.8.0-1 [71.7 kB] Fetched 71.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5l3t3euj/python3-more-itertools_10.8.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 autopoint all 1.0-1 [820 kB] Fetched 820 kB in 0s (75.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu0l6_tfp/autopoint_1.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmpfi0 i386 1.5.4+ds-5 [38.9 kB] Fetched 38.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_xf_tpr9/libmpfi0_1.5.4+ds-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libp11-kit0 i386 0.26.2-3 [447 kB] Fetched 447 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpod3i8lrt/libp11-kit0_0.26.2-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgs10 i386 10.07.1~dfsg-1 [3017 kB] Fetched 3017 kB in 0s (121 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpngz9ojl2/libgs10_10.07.1~dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libexpat1 i386 2.8.2-1 [126 kB] Fetched 126 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz5dqa36h/libexpat1_2.8.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-date-time1.90-dev i386 1.90.0-6 [231 kB] Fetched 231 kB in 0s (22.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps0z3birm/libboost-date-time1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libnotify4 i386 0.8.8-1+b1 [28.2 kB] Fetched 28.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp06yfr0kp/libnotify4_0.8.8-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libbrotli-dev i386 1.2.0-3 [311 kB] Fetched 311 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9ovuccij/libbrotli-dev_1.2.0-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-serialization1.90-dev i386 1.90.0-6 [374 kB] Fetched 374 kB in 0s (31.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_wa127e8/libboost-serialization1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libncursesw6 i386 6.6+20251231-1+b1 [148 kB] Fetched 148 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpc0naw5ba/libncursesw6_6.6+20251231-1+b1_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libheif-plugin-libde265 i386 1.21.2-4 [18.0 kB] Fetched 18.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4_b0gqi8/libheif-plugin-libde265_1.21.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-regex-dev i386 1.90.0.2 [3120 B] Fetched 3120 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdh02e22a/libboost-regex-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-graph-parallel1.90-dev i386 1.90.0-6 [277 kB] Fetched 277 kB in 0s (25.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk9ew4e2q/libboost-graph-parallel1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgvpr2 i386 14.1.2-1+b2 [131 kB] Fetched 131 kB in 0s (12.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd5007tqc/libgvpr2_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb1 i386 1.17.0-2+b2 [148 kB] Fetched 148 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy6n98qy5/libxcb1_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libuv1t64 i386 1.52.1-4 [168 kB] Fetched 168 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptc6sku4u/libuv1t64_1.52.1-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libc-bin i386 2.42-17 [643 kB] Fetched 643 kB in 0s (52.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6rr4gsfp/libc-bin_2.42-17_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmount-dev i386 2.42.2-1 [26.7 kB] Fetched 26.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsn6kjn8i/libmount-dev_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dpkg i386 1.23.7 [1557 kB] Fetched 1557 kB in 0s (111 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwb832ve0/dpkg_1.23.7_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xz-utils i386 5.8.3-1 [745 kB] Fetched 745 kB in 0s (68.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxq294g29/xz-utils_5.8.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gcc-16-base i386 16.1.0-2 [36.8 kB] Fetched 36.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpie6qwl2b/gcc-16-base_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglx0 i386 1.7.0-3+b1 [38.7 kB] Fetched 38.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwjnyzjlw/libglx0_1.7.0-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-thread1.90-dev i386 1.90.0-6 [266 kB] Fetched 266 kB in 0s (24.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp17bhi17x/libboost-thread1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-wave-dev i386 1.90.0.2 [2892 B] Fetched 2892 B in 0s (236 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg3_2x9rr/libboost-wave-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-timer1.90-dev i386 1.90.0-6 [229 kB] Fetched 229 kB in 0s (1924 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4atk8s8u/libboost-timer1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-graph-dev i386 1.90.0.2 [2964 B] Fetched 2964 B in 0s (26.1 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdpy59wjv/libboost-graph-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-minimal i386 3.14.6-1 [25.1 kB] Fetched 25.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa1511679/python3-minimal_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-inflect all 7.5.0-1 [33.0 kB] Fetched 33.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa1rstr_8/python3-inflect_7.5.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 systemd-standalone-tmpfiles i386 261.1-2 [434 kB] Fetched 434 kB in 0s (4878 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9oeau2l2/systemd-standalone-tmpfiles_261.1-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libatk1.0-0t64 i386 2.61.0-1 [49.2 kB] Fetched 49.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp7i1bk4a/libatk1.0-0t64_2.61.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libvorbis0a i386 1.3.7-3+b2 [89.5 kB] Fetched 89.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk6jdv9sq/libvorbis0a_1.3.7-3+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpciaccess0 i386 0.17-3+b4 [53.9 kB] Fetched 53.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8giunbpq/libpciaccess0_0.17-3+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxrandr2 i386 2:1.5.4-1+b4 [37.8 kB] Fetched 37.8 kB in 0s (3519 kB/s) dpkg-name: info: moved 'libxrandr2_2%3a1.5.4-1+b4_i386.deb' to '/srv/rebuilderd/tmp/tmpw7sjnh31/libxrandr2_1.5.4-1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxss1 i386 1:1.2.3-1+b4 [17.2 kB] Fetched 17.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libxss1_1%3a1.2.3-1+b4_i386.deb' to '/srv/rebuilderd/tmp/tmpc2gukvsu/libxss1_1.2.3-1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libthai-data all 0.1.30-1 [172 kB] Fetched 172 kB in 0s (15.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9jscjtlu/libthai-data_0.1.30-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxau-dev i386 1:1.0.11-1+b2 [24.2 kB] Fetched 24.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libxau-dev_1%3a1.0.11-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmp77v8yqoi/libxau-dev_1.0.11-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dbus-daemon i386 1.16.2-5+b1 [166 kB] Fetched 166 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4k0z2xrx/dbus-daemon_1.16.2-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsepol2 i386 3.10-1 [311 kB] Fetched 311 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpc6yss0dp/libsepol2_3.10-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libavahi-common-data i386 0.8-18 [113 kB] Fetched 113 kB in 0s (10.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy2icp6t8/libavahi-common-data_0.8-18_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gettext i386 1.0-1 [2696 kB] Fetched 2696 kB in 0s (150 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy3ls6wpx/gettext_1.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdatrie1 i386 0.2.14-1+b1 [41.2 kB] Fetched 41.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpiu3b6g3e/libdatrie1_0.2.14-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dwz i386 0.16-4 [114 kB] Fetched 114 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp79t69uni/dwz_0.16-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmpc3 i386 1.3.1-3 [59.6 kB] Fetched 59.6 kB in 0s (1613 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfwixhani/libmpc3_1.3.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-context1.90-dev i386 1.90.0-6 [224 kB] Fetched 224 kB in 0s (3657 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpm2hu4ezp/libboost-context1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 perl i386 5.40.1-8 [264 kB] Fetched 264 kB in 0s (2015 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphzy6ixyf/perl_5.40.1-8_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdrm-intel1 i386 2.4.134-2 [66.8 kB] Fetched 66.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5i0__wws/libdrm-intel1_2.4.134-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsensors-config all 1:3.6.2-2 [16.2 kB] Fetched 16.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libsensors-config_1%3a3.6.2-2_all.deb' to '/srv/rebuilderd/tmp/tmprntmofv7/libsensors-config_3.6.2-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgdbm6t64 i386 1.26-1+b2 [83.3 kB] Fetched 83.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcjob_har/libgdbm6t64_1.26-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libltdl-dev i386 2.5.4-11 [170 kB] Fetched 170 kB in 0s (15.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5bfjwvga/libltdl-dev_2.5.4-11_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpsl5t64 i386 0.22.0-1 [61.2 kB] Fetched 61.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6it_p78o/libpsl5t64_0.22.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-packaging all 26.2-2 [84.2 kB] Fetched 84.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw7b_zkgp/python3-packaging_26.2-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgs10-common all 10.07.1~dfsg-1 [473 kB] Fetched 473 kB in 0s (40.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzqmdgwqe/libgs10-common_10.07.1~dfsg-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 librsvg2-2 i386 2.62.1+dfsg-1 [1958 kB] Fetched 1958 kB in 0s (129 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpky_zh6q_/librsvg2-2_2.62.1+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-process1.90.0 i386 1.90.0-6 [244 kB] Fetched 244 kB in 0s (23.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4t4d18f3/libboost-process1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libffi8 i386 3.5.2-4 [22.7 kB] Fetched 22.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxgy8599d/libffi8_3.5.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-regex1.90.0 i386 1.90.0-6 [322 kB] Fetched 322 kB in 0s (28.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9cq_bv8a/libboost-regex1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 fontconfig-config i386 2.17.1-5 [56.0 kB] Fetched 56.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6qvmiusy/fontconfig-config_2.17.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libelf1t64 i386 0.195-1 [64.2 kB] Fetched 64.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqalkoe_p/libelf1t64_0.195-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfmt10 i386 10.1.1+ds1-4+b2 [131 kB] Fetched 131 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5x_tx6ho/libfmt10_10.1.1+ds1-4+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dbus-session-bus-common all 1.16.2-5 [48.7 kB] Fetched 48.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps_ioo5yu/dbus-session-bus-common_1.16.2-5_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-iostreams-dev i386 1.90.0.2 [2844 B] Fetched 2844 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqalnactc/libboost-iostreams-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-log1.90-dev i386 1.90.0-6 [892 kB] Fetched 892 kB in 0s (65.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpth8an19i/libboost-log1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-chrono1.90-dev i386 1.90.0-6 [239 kB] Fetched 239 kB in 0s (21.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8madhe7s/libboost-chrono1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfontbox-java all 1:1.8.16-5 [211 kB] Fetched 211 kB in 0s (18.1 MB/s) dpkg-name: info: moved 'libfontbox-java_1%3a1.8.16-5_all.deb' to '/srv/rebuilderd/tmp/tmpu0hk_t4q/libfontbox-java_1.8.16-5_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 texlive-pictures all 2026.20260527-3 [23.9 MB] Fetched 23.9 MB in 0s (82.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqwm_7bn_/texlive-pictures_2026.20260527-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdrm-amdgpu1 i386 2.4.134-2 [26.3 kB] Fetched 26.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6grmzeqb/libdrm-amdgpu1_2.4.134-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libhwloc15 i386 2.14.0-2 [180 kB] Fetched 180 kB in 0s (17.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpii_zmp4g/libhwloc15_2.14.0-2_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libudev1 i386 261-1 [142 kB] Fetched 142 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjyyafjw4/libudev1_261-1_i386.deb' Downloading dependency 1 of 613: python3-all:i386=3.14.6-1 Downloading dependency 2 of 613: libcdt6:i386=14.1.2-1+b2 Downloading dependency 3 of 613: ncurses-bin:i386=6.6+20251231-1+b1 Downloading dependency 4 of 613: libpython3.13-stdlib:i386=3.13.14-1 Downloading dependency 5 of 613: libhogweed6t64:i386=3.10.2-1+b1 Downloading dependency 6 of 613: libboost-graph-parallel1.90.0:i386=1.90.0-6 Downloading dependency 7 of 613: debhelper:i386=14.2 Downloading dependency 8 of 613: libgl1:i386=1.7.0-3+b1 Downloading dependency 9 of 613: libquadmath0:i386=16.1.0-2 Downloading dependency 10 of 613: mpich:i386=5.0.1-5 Downloading dependency 11 of 613: libicu78:i386=78.3-2 Downloading dependency 12 of 613: libitm1:i386=16.1.0-2 Downloading dependency 13 of 613: build-essential:i386=12.12 Downloading dependency 14 of 613: libx11-xcb1:i386=2:1.8.13-1 Downloading dependency 15 of 613: libsharpyuv0:i386=1.5.0-0.1+b2 Downloading dependency 16 of 613: libboost-random1.90-dev:i386=1.90.0-6 Downloading dependency 17 of 613: gcc-15:i386=15.3.0-1 Downloading dependency 18 of 613: libsdl2-2.0-0:i386=2.32.70+ds-1 Downloading dependency 19 of 613: libboost-process1.90-dev:i386=1.90.0-6 Downloading dependency 20 of 613: libpaper-utils:i386=2.2.5-0.4 Downloading dependency 21 of 613: libxcb-glx0:i386=1.17.0-2+b2 Downloading dependency 22 of 613: libxcb-sync1:i386=1.17.0-2+b2 Downloading dependency 23 of 613: libxrender1:i386=1:0.9.12-1+b2 Downloading dependency 24 of 613: libngtcp2-crypto-ossl0:i386=1.22.1-1 Downloading dependency 25 of 613: libboost-mpi-python-dev:i386=1.90.0.2 Downloading dependency 26 of 613: libpython3.14:i386=3.14.6-1 Downloading dependency 27 of 613: libxcomposite1:i386=1:0.4.6-1+b2 Downloading dependency 28 of 613: hwloc-nox:i386=2.14.0-2 Downloading dependency 29 of 613: libhwy1t64:i386=1.3.0-2+b1 Downloading dependency 30 of 613: libpixman-1-dev:i386=0.46.4-1+b2 Downloading dependency 31 of 613: libboost-charconv1.90.0:i386=1.90.0-6 Downloading dependency 32 of 613: libunistring5:i386=1.4.2-1 Downloading dependency 33 of 613: libpulse0:i386=17.0+dfsg1-2.1+b1 Downloading dependency 34 of 613: libsasl2-2:i386=2.1.28+dfsg1-11 Downloading dependency 35 of 613: cpp-15-i686-linux-gnu:i386=15.3.0-1 Downloading dependency 36 of 613: libmaeparser1:i386=1.3.3-4+b1 Downloading dependency 37 of 613: gcc-i686-linux-gnu:i386=4:15.2.0-5+b1 Downloading dependency 38 of 613: libmpg123-0t64:i386=1.33.6-1 Downloading dependency 39 of 613: libgl1-mesa-dri:i386=26.1.2-1 Downloading dependency 40 of 613: libmagic1t64:i386=1:5.47-4 Downloading dependency 41 of 613: libcairo-gobject2:i386=1.18.4-3+b1 Downloading dependency 42 of 613: libpcre2-16-0:i386=10.46-1+b2 Downloading dependency 43 of 613: automake:i386=1:1.18.1-4 Downloading dependency 44 of 613: libopengl0:i386=1.7.0-3+b1 Downloading dependency 45 of 613: librav1e0.8:i386=0.8.1-10 Downloading dependency 46 of 613: autotools-dev:i386=20240727.1+nmu1 Downloading dependency 47 of 613: libgio-2.0-dev:i386=2.88.2-1 Downloading dependency 48 of 613: libboost-atomic1.90-dev:i386=1.90.0-6 Downloading dependency 49 of 613: libboost-test1.90.0:i386=1.90.0-6 Downloading dependency 50 of 613: libkeyutils1:i386=1.6.3-6+b2 Downloading dependency 51 of 613: gcc:i386=4:15.2.0-5+b1 Downloading dependency 52 of 613: libmd0:i386=1.2.0-2 Downloading dependency 53 of 613: libgraphite2-3:i386=1.3.15-2 Downloading dependency 54 of 613: libpcre2-posix3:i386=10.46-1+b2 Downloading dependency 55 of 613: libperl5.40:i386=5.40.1-8 Downloading dependency 56 of 613: libxinerama1:i386=2:1.1.4-3+b5 Downloading dependency 57 of 613: libboost-iostreams1.90-dev:i386=1.90.0-6 Downloading dependency 58 of 613: libboost-json-dev:i386=1.90.0.2 Downloading dependency 59 of 613: python3-more-itertools:i386=10.8.0-1 Downloading dependency 60 of 613: autopoint:i386=1.0-1 Downloading dependency 61 of 613: libmpfi0:i386=1.5.4+ds-5 Downloading dependency 62 of 613: libp11-kit0:i386=0.26.2-3 Downloading dependency 63 of 613: libgs10:i386=10.07.1~dfsg-1 Downloading dependency 64 of 613: libexpat1:i386=2.8.2-1 Downloading dependency 65 of 613: libboost-date-time1.90-dev:i386=1.90.0-6 Downloading dependency 66 of 613: libnotify4:i386=0.8.8-1+b1 Downloading dependency 67 of 613: libbrotli-dev:i386=1.2.0-3 Downloading dependency 68 of 613: libboost-serialization1.90-dev:i386=1.90.0-6 Downloading dependency 69 of 613: libncursesw6:i386=6.6+20251231-1+b1 Downloading dependency 70 of 613: libheif-plugin-libde265:i386=1.21.2-4 Downloading dependency 71 of 613: libboost-regex-dev:i386=1.90.0.2 Downloading dependency 72 of 613: libboost-graph-parallel1.90-dev:i386=1.90.0-6 Downloading dependency 73 of 613: libgvpr2:i386=14.1.2-1+b2 Downloading dependency 74 of 613: libxcb1:i386=1.17.0-2+b2 Downloading dependency 75 of 613: libuv1t64:i386=1.52.1-4 Downloading dependency 76 of 613: libc-bin:i386=2.42-17 Downloading dependency 77 of 613: libmount-dev:i386=2.42.2-1 Downloading dependency 78 of 613: dpkg:i386=1.23.7 Downloading dependency 79 of 613: xz-utils:i386=5.8.3-1 Downloading dependency 80 of 613: gcc-16-base:i386=16.1.0-2 Downloading dependency 81 of 613: libglx0:i386=1.7.0-3+b1 Downloading dependency 82 of 613: libboost-thread1.90-dev:i386=1.90.0-6 Downloading dependency 83 of 613: libboost-wave-dev:i386=1.90.0.2 Downloading dependency 84 of 613: libboost-timer1.90-dev:i386=1.90.0-6 Downloading dependency 85 of 613: libboost-graph-dev:i386=1.90.0.2 Downloading dependency 86 of 613: python3-minimal:i386=3.14.6-1 Downloading dependency 87 of 613: python3-inflect:i386=7.5.0-1 Downloading dependency 88 of 613: systemd-standalone-tmpfiles:i386=261.1-2 Downloading dependency 89 of 613: libatk1.0-0t64:i386=2.61.0-1 Downloading dependency 90 of 613: libvorbis0a:i386=1.3.7-3+b2 Downloading dependency 91 of 613: libpciaccess0:i386=0.17-3+b4 Downloading dependency 92 of 613: libxrandr2:i386=2:1.5.4-1+b4 Downloading dependency 93 of 613: libxss1:i386=1:1.2.3-1+b4 Downloading dependency 94 of 613: libthai-data:i386=0.1.30-1 Downloading dependency 95 of 613: libxau-dev:i386=1:1.0.11-1+b2 Downloading dependency 96 of 613: dbus-daemon:i386=1.16.2-5+b1 Downloading dependency 97 of 613: libsepol2:i386=3.10-1 Downloading dependency 98 of 613: libavahi-common-data:i386=0.8-18 Downloading dependency 99 of 613: gettext:i386=1.0-1 Downloading dependency 100 of 613: libdatrie1:i386=0.2.14-1+b1 Downloading dependency 101 of 613: dwz:i386=0.16-4 Downloading dependency 102 of 613: libmpc3:i386=1.3.1-3 Downloading dependency 103 of 613: libboost-context1.90-dev:i386=1.90.0-6 Downloading dependency 104 of 613: perl:i386=5.40.1-8 Downloading dependency 105 of 613: libdrm-intel1:i386=2.4.134-2 Downloading dependency 106 of 613: libsensors-config:i386=1:3.6.2-2 Downloading dependency 107 of 613: libgdbm6t64:i386=1.26-1+b2 Downloading dependency 108 of 613: libltdl-dev:i386=2.5.4-11 Downloading dependency 109 of 613: libpsl5t64:i386=0.22.0-1 Downloading dependency 110 of 613: python3-packaging:i386=26.2-2 Downloading dependency 111 of 613: libgs10-common:i386=10.07.1~dfsg-1 Downloading dependency 112 of 613: librsvg2-2:i386=2.62.1+dfsg-1 Downloading dependency 113 of 613: libboost-process1.90.0:i386=1.90.0-6 Downloading dependency 114 of 613: libffi8:i386=3.5.2-4 Downloading dependency 115 of 613: libboost-regex1.90.0:i386=1.90.0-6 Downloading dependency 116 of 613: fontconfig-config:i386=2.17.1-5 Downloading dependency 117 of 613: libelf1t64:i386=0.195-1 Downloading dependency 118 of 613: libfmt10:i386=10.1.1+ds1-4+b2 Downloading dependency 119 of 613: dbus-session-bus-common:i386=1.16.2-5 Downloading dependency 120 of 613: libboost-iostreams-dev:i386=1.90.0.2 Downloading dependency 121 of 613: libboost-log1.90-dev:i386=1.90.0-6 Downloading dependency 122 of 613: libboost-chrono1.90-dev:i386=1.90.0-6 Downloading dependency 123 of 613: libfontbox-java:i386=1:1.8.16-5 Downloading dependency 124 of 613: texlive-pictures:i386=2026.20260527-3 Downloading dependency 125 of 613: libdrm-amdgpu1:i386=2.4.134-2 Downloading dependency 126 of 613: libhwloc15:i386=2.14.0-2 Downloading dependency 127 of 613: libudev1:i386=261-1 Downloading dependency 128 of 613: libptexenc1:i386=2026.20260303.78225+ds-4Get:1 http://deb.debian.org/debian unstable/main i386 libptexenc1 i386 2026.20260303.78225+ds-4 [52.6 kB] Fetched 52.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5ys6jfyg/libptexenc1_2026.20260303.78225+ds-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libaom3 i386 3.13.1-2+b1 [1925 kB] Fetched 1925 kB in 0s (95.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn95nls63/libaom3_3.13.1-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libctf-nobfd0 i386 2.46.50.20260617-1 [161 kB] Fetched 161 kB in 0s (14.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp81yhbdff/libctf-nobfd0_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcups2t64 i386 2.4.18-1 [268 kB] Fetched 268 kB in 0s (25.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyxnety74/libcups2t64_2.4.18-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgav1-2 i386 0.20.0-2+b1 [330 kB] Fetched 330 kB in 0s (28.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp70ws7qd9/libgav1-2_0.20.0-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libbinutils i386 2.46.50.20260617-1 [583 kB] Fetched 583 kB in 0s (55.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvj3idbjw/libbinutils_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsframe3 i386 2.46.50.20260617-1 [85.4 kB] Fetched 85.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr_5jc_h7/libsframe3_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-url1.90.0 i386 1.90.0-6 [336 kB] Fetched 336 kB in 0s (30.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptfq4l2qh/libboost-url1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpangocairo-1.0-0 i386 1.57.1-2 [34.8 kB] Fetched 34.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppva8jf3y/libpangocairo-1.0-0_1.57.1-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gcc-15-i686-linux-gnu i386 15.3.0-1 [25.3 MB] Fetched 25.3 MB in 0s (272 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3zy990m8/gcc-15-i686-linux-gnu_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdecor-0-0 i386 0.2.5-1+b1 [15.8 kB] Fetched 15.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzu7pvmuf/libdecor-0-0_0.2.5-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-mpi-python1.90.0 i386 1.90.0-6 [228 kB] Fetched 228 kB in 0s (21.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_a01kc4y/libboost-mpi-python1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-charconv1.90-dev i386 1.90.0-6 [345 kB] Fetched 345 kB in 0s (28.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppp4t_9ud/libboost-charconv1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxaw7 i386 2:1.0.16-1+b2 [222 kB] Fetched 222 kB in 0s (21.4 MB/s) dpkg-name: info: moved 'libxaw7_2%3a1.0.16-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpbudpr96m/libxaw7_1.0.16-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfontconfig1 i386 2.17.1-5 [142 kB] Fetched 142 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpefo57e8v/libfontconfig1_2.17.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3.14-minimal i386 3.14.6-1 [2401 kB] Fetched 2401 kB in 0s (145 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9_hkqh7b/python3.14-minimal_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmp3lame0 i386 3.101~svn6531+dfsg-1 [285 kB] Fetched 285 kB in 0s (22.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphtdwe14k/libmp3lame0_3.101~svn6531+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-coroutine1.90.0 i386 1.90.0-6 [226 kB] Fetched 226 kB in 0s (20.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpprdwl550/libboost-coroutine1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-mpi-dev i386 1.90.0.2 [2940 B] Fetched 2940 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpczm4ah80/libboost-mpi-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dbus-x11 i386 1.16.2-5+b1 [62.3 kB] Fetched 62.3 kB in 0s (5313 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprnx0fezt/dbus-x11_1.16.2-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsynctex2 i386 2026.20260303.78225+ds-4 [66.0 kB] Fetched 66.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa6g5z7xj/libsynctex2_2026.20260303.78225+ds-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 bubblewrap i386 0.11.2-2 [51.3 kB] Fetched 51.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1jtkar7n/bubblewrap_0.11.2-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-mpi1.90.0 i386 1.90.0-6 [266 kB] Fetched 266 kB in 0s (24.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4n4q1qm0/libboost-mpi1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 g++-15-i686-linux-gnu i386 15.3.0-1 [14.0 MB] Fetched 14.0 MB in 0s (258 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb4jfm_nf/g++-15-i686-linux-gnu_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libepoxy0 i386 1.5.10-2+b2 [198 kB] Fetched 198 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2tmbsetm/libepoxy0_1.5.10-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglib2.0-0t64 i386 2.88.2-1 [1604 kB] Fetched 1604 kB in 0s (118 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdlfk4y_g/libglib2.0-0t64_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxkbcommon0 i386 1.13.1-1 [154 kB] Fetched 154 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe0gsompg/libxkbcommon0_1.13.1-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcc1-0 i386 16.1.0-2 [46.4 kB] Fetched 46.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3pz_0cvx/libcc1-0_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglycin-2-0 i386 2.1.5+ds-2 [1534 kB] Fetched 1534 kB in 0s (93.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzu3oy2zf/libglycin-2-0_2.1.5+ds-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwayland-client0 i386 1.25.0-2 [29.5 kB] Fetched 29.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpis6fw4a7/libwayland-client0_1.25.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgprofng0 i386 2.46.50.20260617-1 [858 kB] Fetched 858 kB in 0s (73.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7v8fpntl/libgprofng0_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsensors5 i386 1:3.6.2-2+b2 [38.0 kB] Fetched 38.0 kB in 0s (0 B/s) dpkg-name: info: moved 'libsensors5_1%3a3.6.2-2+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpebima5tf/libsensors5_3.6.2-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 netbase all 6.5 [12.4 kB] Fetched 12.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0nyq4vqe/netbase_6.5_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libzstd1 i386 1.5.7+dfsg-3+b2 [305 kB] Fetched 305 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp__25nuw8/libzstd1_1.5.7+dfsg-3+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 cpp i386 4:15.2.0-5+b1 [1572 B] Fetched 1572 B in 0s (0 B/s) dpkg-name: info: moved 'cpp_4%3a15.2.0-5+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp1lry177h/cpp_15.2.0-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-json1.90.0 i386 1.90.0-6 [374 kB] Fetched 374 kB in 0s (34.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmped7lab1q/libboost-json1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdb5.3t64 i386 5.3.28+dfsg2-11+b1 [767 kB] Fetched 767 kB in 0s (65.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe48ogqwf/libdb5.3t64_5.3.28+dfsg2-11+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpam-modules i386 1.7.0-6 [182 kB] Fetched 182 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqrdw62h3/libpam-modules_1.7.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjpeg62-turbo i386 1:3.1.3-4 [215 kB] Fetched 215 kB in 0s (0 B/s) dpkg-name: info: moved 'libjpeg62-turbo_1%3a3.1.3-4_i386.deb' to '/srv/rebuilderd/tmp/tmp85akp8uw/libjpeg62-turbo_3.1.3-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 ncurses-base all 6.6+20251231-1 [277 kB] Fetched 277 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpysq9veav/ncurses-base_6.6+20251231-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpango-1.0-0 i386 1.57.1-2 [234 kB] Fetched 234 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuqzykols/libpango-1.0-0_1.57.1-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-container-dev i386 1.90.0.2 [3336 B] Fetched 3336 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprj9v8nyy/libboost-container-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 g++-i686-linux-gnu i386 4:15.2.0-5+b1 [1200 B] Fetched 1200 B in 0s (0 B/s) dpkg-name: info: moved 'g++-i686-linux-gnu_4%3a15.2.0-5+b1_i386.deb' to '/srv/rebuilderd/tmp/tmpl_oyk10r/g++-i686-linux-gnu_15.2.0-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3-dev i386 3.14.6-1 [8348 B] Fetched 8348 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplcgffa1g/libpython3-dev_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libinchi1.07 i386 1.07.3+dfsg-2 [556 kB] Fetched 556 kB in 0s (45.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpynm1m46e/libinchi1.07_1.07.3+dfsg-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 diffutils i386 1:3.12-1 [413 kB] Fetched 413 kB in 0s (0 B/s) dpkg-name: info: moved 'diffutils_1%3a3.12-1_i386.deb' to '/srv/rebuilderd/tmp/tmpe27_cikj/diffutils_3.12-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-program-options1.90-dev i386 1.90.0-6 [381 kB] Fetched 381 kB in 0s (31.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw7yuzvuc/libboost-program-options1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 openssl-provider-legacy i386 3.6.3-1 [316 kB] Fetched 316 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_9pjil26/openssl-provider-legacy_3.6.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xfonts-encodings all 1:1.0.4-2.2 [577 kB] Fetched 577 kB in 0s (44.1 MB/s) dpkg-name: info: moved 'xfonts-encodings_1%3a1.0.4-2.2_all.deb' to '/srv/rebuilderd/tmp/tmp0hg9rcor/xfonts-encodings_1.0.4-2.2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwayland-cursor0 i386 1.25.0-2 [12.3 kB] Fetched 12.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnjgmh96j/libwayland-cursor0_1.25.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dash i386 0.5.12-12 [103 kB] Fetched 103 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl_qiddly/dash_0.5.12-12_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libopus0 i386 1.6.1-1+b1 [3467 kB] Fetched 3467 kB in 0s (131 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkhtgcol4/libopus0_1.6.1-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libstdc++-15-dev i386 15.3.0-1 [2823 kB] Fetched 2823 kB in 0s (153 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpidbesin3/libstdc++-15-dev_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libvorbisenc2 i386 1.3.7-3+b2 [69.6 kB] Fetched 69.6 kB in 0s (6854 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk_os2zko/libvorbisenc2_1.3.7-3+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxext6 i386 2:1.3.4-1+b4 [52.7 kB] Fetched 52.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libxext6_2%3a1.3.4-1+b4_i386.deb' to '/srv/rebuilderd/tmp/tmpwz81c8z1/libxext6_1.3.4-1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxml2-16 i386 2.15.3+dfsg-1 [672 kB] Fetched 672 kB in 0s (58.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2vnbu64r/libxml2-16_2.15.3+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxres1 i386 2:1.2.1-2 [18.2 kB] Fetched 18.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libxres1_2%3a1.2.1-2_i386.deb' to '/srv/rebuilderd/tmp/tmpbi3003ox/libxres1_1.2.1-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-stacktrace1.90-dev i386 1.90.0-6 [250 kB] Fetched 250 kB in 0s (21.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmponuymu20/libboost-stacktrace1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsndfile1 i386 1.2.2-4+b1 [225 kB] Fetched 225 kB in 0s (19.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8ql300lb/libsndfile1_1.2.2-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-locale1.90-dev i386 1.90.0-6 [584 kB] Fetched 584 kB in 0s (46.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3qq1a2ha/libboost-locale1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libteckit0 i386 2.5.13+ds-2 [303 kB] Fetched 303 kB in 0s (26.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8q8h1zi1/libteckit0_2.5.13+ds-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxpm4 i386 1:3.5.19-1 [60.8 kB] Fetched 60.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libxpm4_1%3a3.5.19-1_i386.deb' to '/srv/rebuilderd/tmp/tmp9s2h2rdm/libxpm4_3.5.19-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dbus-bin i386 1.16.2-5+b1 [77.2 kB] Fetched 77.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptms419s5/dbus-bin_1.16.2-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-jaraco.context all 6.0.1-2 [8184 B] Fetched 8184 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr3kmkak8/python3-jaraco.context_6.0.1-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-typeguard all 4.4.4-2 [37.2 kB] Fetched 37.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4njfr96c/python3-typeguard_4.4.4-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-chrono-dev i386 1.90.0.2 [3484 B] Fetched 3484 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp9iu0k1k/libboost-chrono-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmpfr6 i386 4.2.2-3 [757 kB] Fetched 757 kB in 0s (69.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3v5pijzr/libmpfr6_4.2.2-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libasan8 i386 16.1.0-2 [2734 kB] Fetched 2734 kB in 0s (154 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzxr_arlt/libasan8_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3.13-minimal i386 3.13.14-1 [863 kB] Fetched 863 kB in 0s (58.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplmjsci78/libpython3.13-minimal_3.13.14-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-container1.90.0 i386 1.90.0-6 [253 kB] Fetched 253 kB in 0s (23.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxx8f1ew1/libboost-container1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpaper2 i386 2.2.5-0.4 [17.0 kB] Fetched 17.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxu_2y04w/libpaper2_2.2.5-0.4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 ghostscript i386 10.07.1~dfsg-1 [44.9 kB] Fetched 44.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv3oiu8_5/ghostscript_10.07.1~dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libvulkan1 i386 1.4.341.0-1 [152 kB] Fetched 152 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9qpcf2p3/libvulkan1_1.4.341.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libasound2-data all 1.2.16-1 [19.3 kB] Fetched 19.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3oydglj7/libasound2-data_1.2.16-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 texlive-latex-base all 2026.20260527-3 [1437 kB] Fetched 1437 kB in 0s (82.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprl4f6xc5/texlive-latex-base_2026.20260527-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-dev i386 3.14.6-1 [25.7 kB] Fetched 25.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3g5y9090/python3-dev_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libedit2 i386 3.1-20260512-1 [98.4 kB] Fetched 98.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9usq86qk/libedit2_3.1-20260512-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-type-erasure1.90.0 i386 1.90.0-6 [241 kB] Fetched 241 kB in 0s (22.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw2gspxoe/libboost-type-erasure1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdav1d7 i386 1.5.3-1+b2 [336 kB] Fetched 336 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnrkla_ve/libdav1d7_1.5.3-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libc-dev-bin i386 2.42-17 [38.2 kB] Fetched 38.2 kB in 0s (3756 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxvhu_ndj/libc-dev-bin_2.42-17_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libcurl4t64 i386 8.21.0-1 [472 kB] Fetched 472 kB in 0s (46.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpiqix7cze/libcurl4t64_8.21.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 coreutils i386 9.10-1 [3183 kB] Fetched 3183 kB in 0s (169 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcgzm_l9h/coreutils_9.10-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 poppler-data all 0.4.12-1 [1601 kB] Fetched 1601 kB in 0s (86.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptp9r7ycz/poppler-data_0.4.12-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 readline-common all 8.3-4 [74.8 kB] Fetched 74.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3h65iu7b/readline-common_8.3-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-thread1.90.0 i386 1.90.0-6 [258 kB] Fetched 258 kB in 0s (23.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0cokgt22/libboost-thread1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-stacktrace-dev i386 1.90.0.2 [2860 B] Fetched 2860 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp66vy8cfj/libboost-stacktrace-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libavahi-common3 i386 0.8-18 [47.3 kB] Fetched 47.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvux1tt41/libavahi-common3_0.8-18_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxdot4 i386 14.1.2-1+b2 [22.6 kB] Fetched 22.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgkzbnctk/libxdot4_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcolord2 i386 1.4.8-3 [147 kB] Fetched 147 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgrcoy2hd/libcolord2_1.4.8-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-chrono1.90.0 i386 1.90.0-6 [233 kB] Fetched 233 kB in 0s (21.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzg8snz6h/libboost-chrono1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 x11-common all 1:7.7+26 [217 kB] Fetched 217 kB in 0s (0 B/s) dpkg-name: info: moved 'x11-common_1%3a7.7+26_all.deb' to '/srv/rebuilderd/tmp/tmp8a_wm0zm/x11-common_7.7+26_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb1-dev i386 1.17.0-2+b2 [186 kB] Fetched 186 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjalfwv_0/libxcb1-dev_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgbm1 i386 26.1.2-1 [49.2 kB] Fetched 49.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph__3v27v/libgbm1_26.1.2-1_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libheif-plugin-dav1d i386 1.21.2-4 [20.5 kB] Fetched 20.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmj07jm79/libheif-plugin-dav1d_1.21.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsqlite3-0 i386 3.53.3-1 [1049 kB] Fetched 1049 kB in 0s (85.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmbcjmoi0/libsqlite3-0_3.53.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libspdlog1.15 i386 1:1.15.3+ds-1+b2 [117 kB] Fetched 117 kB in 0s (0 B/s) dpkg-name: info: moved 'libspdlog1.15_1%3a1.15.3+ds-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpgwiji5z_/libspdlog1.15_1.15.3+ds-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-python-dev i386 1.90.0.2 [3160 B] Fetched 3160 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpa7yqui2l/libboost-python-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libuchardet0 i386 0.0.8-2+b2 [69.2 kB] Fetched 69.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl9xx7rrr/libuchardet0_0.0.8-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-locale1.90.0 i386 1.90.0-6 [489 kB] Fetched 489 kB in 0s (39.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjw13qzsm/libboost-locale1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwayland-egl1 i386 1.25.0-2 [5652 B] Fetched 5652 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp21bpdmyw/libwayland-egl1_1.25.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-iostreams1.90.0 i386 1.90.0-6 [248 kB] Fetched 248 kB in 0s (22.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu2vsqt6p/libboost-iostreams1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-python1.90.0 i386 1.90.0-6 [341 kB] Fetched 341 kB in 0s (31.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzqqxazdk/libboost-python1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libx11-data all 2:1.8.13-1 [346 kB] Fetched 346 kB in 0s (0 B/s) dpkg-name: info: moved 'libx11-data_2%3a1.8.13-1_all.deb' to '/srv/rebuilderd/tmp/tmpwhie4ia4/libx11-data_1.8.13-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libx11-dev i386 2:1.8.13-1 [931 kB] Fetched 931 kB in 0s (77.2 MB/s) dpkg-name: info: moved 'libx11-dev_2%3a1.8.13-1_i386.deb' to '/srv/rebuilderd/tmp/tmptelshepc/libx11-dev_1.8.13-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-filesystem1.90-dev i386 1.90.0-6 [302 kB] Fetched 302 kB in 0s (27.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp94cexh3o/libboost-filesystem1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-render0-dev i386 1.17.0-2+b2 [119 kB] Fetched 119 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwp5nojij/libxcb-render0-dev_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpangoft2-1.0-0 i386 1.57.1-2 [55.8 kB] Fetched 55.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcuwoaeou/libpangoft2-1.0-0_1.57.1-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcommons-logging-java all 1.3.0-2 [68.6 kB] Fetched 68.6 kB in 0s (6361 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4_tqvnf2/libcommons-logging-java_1.3.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtiff6 i386 4.7.1-3 [372 kB] Fetched 372 kB in 0s (32.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsuq6h_lj/libtiff6_4.7.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcap2 i386 1:2.78-1 [28.1 kB] Fetched 28.1 kB in 0s (0 B/s) dpkg-name: info: moved 'libcap2_1%3a2.78-1_i386.deb' to '/srv/rebuilderd/tmp/tmp6wa_7v13/libcap2_2.78-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-shm0 i386 1.17.0-2+b2 [105 kB] Fetched 105 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptw4tsk1q/libxcb-shm0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgmp10 i386 2:6.3.0+dfsg-5+b2 [570 kB] Fetched 570 kB in 0s (56.5 MB/s) dpkg-name: info: moved 'libgmp10_2%3a6.3.0+dfsg-5+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpc51iyish/libgmp10_6.3.0+dfsg-5+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 debianutils i386 5.23.2 [92.7 kB] Fetched 92.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp090ijbyw/debianutils_5.23.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-filesystem1.90.0 i386 1.90.0-6 [284 kB] Fetched 284 kB in 0s (26.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsfcqixz9/libboost-filesystem1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjbig0 i386 2.1-6.1+b3 [32.2 kB] Fetched 32.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmc182fzn/libjbig0_2.1-6.1+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-program-options-dev i386 1.90.0.2 [2876 B] Fetched 2876 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8veucihn/libboost-program-options-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libbsd0 i386 0.12.2-3 [135 kB] Fetched 135 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_62i0ttz/libbsd0_0.12.2-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxdamage1 i386 1:1.1.7-1+b1 [16.4 kB] Fetched 16.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libxdamage1_1%3a1.1.7-1+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp2av0vj2u/libxdamage1_1.1.7-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-atomic-dev i386 1.90.0.2 [3172 B] Fetched 3172 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu0e9cyxp/libboost-atomic-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libacl1 i386 2.3.2-3 [34.1 kB] Fetched 34.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgmljtqon/libacl1_2.3.2-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 graphviz i386 14.1.2-1+b2 [60.2 kB] Fetched 60.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphtkjky6a/graphviz_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3.14-dev i386 3.14.6-1 [5470 kB] Fetched 5470 kB in 0s (187 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdyfv0ka9/libpython3.14-dev_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjxl0.11 i386 0.11.2-5 [1156 kB] Fetched 1156 kB in 0s (78.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpumy4n9ko/libjxl0.11_0.11.2-5_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libclang-cpp21 i386 1:21.1.8-7+b3 [14.9 MB] Fetched 14.9 MB in 0s (109 MB/s) dpkg-name: info: moved 'libclang-cpp21_1%3a21.1.8-7+b3_i386.deb' to '/srv/rebuilderd/tmp/tmphuacz975/libclang-cpp21_21.1.8-7+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-date-time1.90.0 i386 1.90.0-6 [222 kB] Fetched 222 kB in 0s (21.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp740dd363/libboost-date-time1.90.0_1.90.0-6_i386.deb' Downloading dependency 129 of 613: libaom3:i386=3.13.1-2+b1 Downloading dependency 130 of 613: libctf-nobfd0:i386=2.46.50.20260617-1 Downloading dependency 131 of 613: libcups2t64:i386=2.4.18-1 Downloading dependency 132 of 613: libgav1-2:i386=0.20.0-2+b1 Downloading dependency 133 of 613: libbinutils:i386=2.46.50.20260617-1 Downloading dependency 134 of 613: libsframe3:i386=2.46.50.20260617-1 Downloading dependency 135 of 613: libboost-url1.90.0:i386=1.90.0-6 Downloading dependency 136 of 613: libpangocairo-1.0-0:i386=1.57.1-2 Downloading dependency 137 of 613: gcc-15-i686-linux-gnu:i386=15.3.0-1 Downloading dependency 138 of 613: libdecor-0-0:i386=0.2.5-1+b1 Downloading dependency 139 of 613: libboost-mpi-python1.90.0:i386=1.90.0-6 Downloading dependency 140 of 613: libboost-charconv1.90-dev:i386=1.90.0-6 Downloading dependency 141 of 613: libxaw7:i386=2:1.0.16-1+b2 Downloading dependency 142 of 613: libfontconfig1:i386=2.17.1-5 Downloading dependency 143 of 613: python3.14-minimal:i386=3.14.6-1 Downloading dependency 144 of 613: libmp3lame0:i386=3.101~svn6531+dfsg-1 Downloading dependency 145 of 613: libboost-coroutine1.90.0:i386=1.90.0-6 Downloading dependency 146 of 613: libboost-mpi-dev:i386=1.90.0.2 Downloading dependency 147 of 613: dbus-x11:i386=1.16.2-5+b1 Downloading dependency 148 of 613: libsynctex2:i386=2026.20260303.78225+ds-4 Downloading dependency 149 of 613: bubblewrap:i386=0.11.2-2 Downloading dependency 150 of 613: libboost-mpi1.90.0:i386=1.90.0-6 Downloading dependency 151 of 613: g++-15-i686-linux-gnu:i386=15.3.0-1 Downloading dependency 152 of 613: libepoxy0:i386=1.5.10-2+b2 Downloading dependency 153 of 613: libglib2.0-0t64:i386=2.88.2-1 Downloading dependency 154 of 613: libxkbcommon0:i386=1.13.1-1 Downloading dependency 155 of 613: libcc1-0:i386=16.1.0-2 Downloading dependency 156 of 613: libglycin-2-0:i386=2.1.5+ds-2 Downloading dependency 157 of 613: libwayland-client0:i386=1.25.0-2 Downloading dependency 158 of 613: libgprofng0:i386=2.46.50.20260617-1 Downloading dependency 159 of 613: libsensors5:i386=1:3.6.2-2+b2 Downloading dependency 160 of 613: netbase:i386=6.5 Downloading dependency 161 of 613: libzstd1:i386=1.5.7+dfsg-3+b2 Downloading dependency 162 of 613: cpp:i386=4:15.2.0-5+b1 Downloading dependency 163 of 613: libboost-json1.90.0:i386=1.90.0-6 Downloading dependency 164 of 613: libdb5.3t64:i386=5.3.28+dfsg2-11+b1 Downloading dependency 165 of 613: libpam-modules:i386=1.7.0-6 Downloading dependency 166 of 613: libjpeg62-turbo:i386=1:3.1.3-4 Downloading dependency 167 of 613: ncurses-base:i386=6.6+20251231-1 Downloading dependency 168 of 613: libpango-1.0-0:i386=1.57.1-2 Downloading dependency 169 of 613: libboost-container-dev:i386=1.90.0.2 Downloading dependency 170 of 613: g++-i686-linux-gnu:i386=4:15.2.0-5+b1 Downloading dependency 171 of 613: libpython3-dev:i386=3.14.6-1 Downloading dependency 172 of 613: libinchi1.07:i386=1.07.3+dfsg-2 Downloading dependency 173 of 613: diffutils:i386=1:3.12-1 Downloading dependency 174 of 613: libboost-program-options1.90-dev:i386=1.90.0-6 Downloading dependency 175 of 613: openssl-provider-legacy:i386=3.6.3-1 Downloading dependency 176 of 613: xfonts-encodings:i386=1:1.0.4-2.2 Downloading dependency 177 of 613: libwayland-cursor0:i386=1.25.0-2 Downloading dependency 178 of 613: dash:i386=0.5.12-12 Downloading dependency 179 of 613: libopus0:i386=1.6.1-1+b1 Downloading dependency 180 of 613: libstdc++-15-dev:i386=15.3.0-1 Downloading dependency 181 of 613: libvorbisenc2:i386=1.3.7-3+b2 Downloading dependency 182 of 613: libxext6:i386=2:1.3.4-1+b4 Downloading dependency 183 of 613: libxml2-16:i386=2.15.3+dfsg-1 Downloading dependency 184 of 613: libxres1:i386=2:1.2.1-2 Downloading dependency 185 of 613: libboost-stacktrace1.90-dev:i386=1.90.0-6 Downloading dependency 186 of 613: libsndfile1:i386=1.2.2-4+b1 Downloading dependency 187 of 613: libboost-locale1.90-dev:i386=1.90.0-6 Downloading dependency 188 of 613: libteckit0:i386=2.5.13+ds-2 Downloading dependency 189 of 613: libxpm4:i386=1:3.5.19-1 Downloading dependency 190 of 613: dbus-bin:i386=1.16.2-5+b1 Downloading dependency 191 of 613: python3-jaraco.context:i386=6.0.1-2 Downloading dependency 192 of 613: python3-typeguard:i386=4.4.4-2 Downloading dependency 193 of 613: libboost-chrono-dev:i386=1.90.0.2 Downloading dependency 194 of 613: libmpfr6:i386=4.2.2-3 Downloading dependency 195 of 613: libasan8:i386=16.1.0-2 Downloading dependency 196 of 613: libpython3.13-minimal:i386=3.13.14-1 Downloading dependency 197 of 613: libboost-container1.90.0:i386=1.90.0-6 Downloading dependency 198 of 613: libpaper2:i386=2.2.5-0.4 Downloading dependency 199 of 613: ghostscript:i386=10.07.1~dfsg-1 Downloading dependency 200 of 613: libvulkan1:i386=1.4.341.0-1 Downloading dependency 201 of 613: libasound2-data:i386=1.2.16-1 Downloading dependency 202 of 613: texlive-latex-base:i386=2026.20260527-3 Downloading dependency 203 of 613: python3-dev:i386=3.14.6-1 Downloading dependency 204 of 613: libedit2:i386=3.1-20260512-1 Downloading dependency 205 of 613: libboost-type-erasure1.90.0:i386=1.90.0-6 Downloading dependency 206 of 613: libdav1d7:i386=1.5.3-1+b2 Downloading dependency 207 of 613: libc-dev-bin:i386=2.42-17 Downloading dependency 208 of 613: libcurl4t64:i386=8.21.0-1 Downloading dependency 209 of 613: coreutils:i386=9.10-1 Downloading dependency 210 of 613: poppler-data:i386=0.4.12-1 Downloading dependency 211 of 613: readline-common:i386=8.3-4 Downloading dependency 212 of 613: libboost-thread1.90.0:i386=1.90.0-6 Downloading dependency 213 of 613: libboost-stacktrace-dev:i386=1.90.0.2 Downloading dependency 214 of 613: libavahi-common3:i386=0.8-18 Downloading dependency 215 of 613: libxdot4:i386=14.1.2-1+b2 Downloading dependency 216 of 613: libcolord2:i386=1.4.8-3 Downloading dependency 217 of 613: libboost-chrono1.90.0:i386=1.90.0-6 Downloading dependency 218 of 613: x11-common:i386=1:7.7+26 Downloading dependency 219 of 613: libxcb1-dev:i386=1.17.0-2+b2 Downloading dependency 220 of 613: libgbm1:i386=26.1.2-1 Downloading dependency 221 of 613: libheif-plugin-dav1d:i386=1.21.2-4 Downloading dependency 222 of 613: libsqlite3-0:i386=3.53.3-1 Downloading dependency 223 of 613: libspdlog1.15:i386=1:1.15.3+ds-1+b2 Downloading dependency 224 of 613: libboost-python-dev:i386=1.90.0.2 Downloading dependency 225 of 613: libuchardet0:i386=0.0.8-2+b2 Downloading dependency 226 of 613: libboost-locale1.90.0:i386=1.90.0-6 Downloading dependency 227 of 613: libwayland-egl1:i386=1.25.0-2 Downloading dependency 228 of 613: libboost-iostreams1.90.0:i386=1.90.0-6 Downloading dependency 229 of 613: libboost-python1.90.0:i386=1.90.0-6 Downloading dependency 230 of 613: libx11-data:i386=2:1.8.13-1 Downloading dependency 231 of 613: libx11-dev:i386=2:1.8.13-1 Downloading dependency 232 of 613: libboost-filesystem1.90-dev:i386=1.90.0-6 Downloading dependency 233 of 613: libxcb-render0-dev:i386=1.17.0-2+b2 Downloading dependency 234 of 613: libpangoft2-1.0-0:i386=1.57.1-2 Downloading dependency 235 of 613: libcommons-logging-java:i386=1.3.0-2 Downloading dependency 236 of 613: libtiff6:i386=4.7.1-3 Downloading dependency 237 of 613: libcap2:i386=1:2.78-1 Downloading dependency 238 of 613: libxcb-shm0:i386=1.17.0-2+b2 Downloading dependency 239 of 613: libgmp10:i386=2:6.3.0+dfsg-5+b2 Downloading dependency 240 of 613: debianutils:i386=5.23.2 Downloading dependency 241 of 613: libboost-filesystem1.90.0:i386=1.90.0-6 Downloading dependency 242 of 613: libjbig0:i386=2.1-6.1+b3 Downloading dependency 243 of 613: libboost-program-options-dev:i386=1.90.0.2 Downloading dependency 244 of 613: libbsd0:i386=0.12.2-3 Downloading dependency 245 of 613: libxdamage1:i386=1:1.1.7-1+b1 Downloading dependency 246 of 613: libboost-atomic-dev:i386=1.90.0.2 Downloading dependency 247 of 613: libacl1:i386=2.3.2-3 Downloading dependency 248 of 613: graphviz:i386=14.1.2-1+b2 Downloading dependency 249 of 613: libpython3.14-dev:i386=3.14.6-1 Downloading dependency 250 of 613: libjxl0.11:i386=0.11.2-5 Downloading dependency 251 of 613: libclang-cpp21:i386=1:21.1.8-7+b3 Downloading dependency 252 of 613: libboost-date-time1.90.0:i386=1.90.0-6 Downloading dependency 253 of 613: libdpkg-perl:i386=1.23.7Get:1 http://deb.debian.org/debian unstable/main i386 libdpkg-perl all 1.23.7 [669 kB] Fetched 669 kB in 0s (62.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpm1xubnl_/libdpkg-perl_1.23.7_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 init-system-helpers all 1.69 [39.3 kB] Fetched 39.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqz9h9sc8/init-system-helpers_1.69_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfreetype-dev i386 2.14.3+dfsg-1 [682 kB] Fetched 682 kB in 0s (50.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnkua7tbw/libfreetype-dev_2.14.3+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libflac14 i386 1.5.0+ds-5+b1 [194 kB] Fetched 194 kB in 0s (18.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprachygfi/libflac14_1.5.0+ds-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-program-options1.90.0 i386 1.90.0-6 [353 kB] Fetched 353 kB in 0s (29.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfdsubsti/libboost-program-options1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglib2.0-dev i386 2.88.2-1 [38.4 kB] Fetched 38.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2lu1mk3h/libglib2.0-dev_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 wx-common i386 3.2.9+dfsg-1+b1 [126 kB] Fetched 126 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpraprnbio/wx-common_3.2.9+dfsg-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libldap2 i386 2.6.13+dfsg-1 [201 kB] Fetched 201 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpowvgs720/libldap2_2.6.13+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpipeline1 i386 1.5.8-3 [49.4 kB] Fetched 49.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkxhtpjwa/libpipeline1_1.5.8-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 liblerc4 i386 4.1.0+ds-1 [187 kB] Fetched 187 kB in 0s (16.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0n93xel8/liblerc4_4.1.0+ds-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 bash i386 5.3-3 [1593 kB] Fetched 1593 kB in 0s (112 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvnzyw5f8/bash_5.3-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-nowide-dev i386 1.90.0.2 [2940 B] Fetched 2940 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpphek5g6u/libboost-nowide-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsm6 i386 2:1.2.6-1+b2 [38.4 kB] Fetched 38.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libsm6_2%3a1.2.6-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpa8m9580i/libsm6_1.2.6-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfile-stripnondeterminism-perl all 1.15.1-1 [17.1 kB] Fetched 17.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo6929lob/libfile-stripnondeterminism-perl_1.15.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-exception1.90-dev i386 1.90.0-6 [221 kB] Fetched 221 kB in 0s (19.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5u76bqp3/libboost-exception1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglib2.0-data all 2.88.2-1 [1276 kB] Fetched 1276 kB in 0s (106 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnftaxs89/libglib2.0-data_2.88.2-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libnghttp3-9 i386 1.15.0-1 [79.2 kB] Fetched 79.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphebvi_q8/libnghttp3-9_1.15.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-numpy-dev i386 1.90.0.2 [2900 B] Fetched 2900 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjlkmj4__/libboost-numpy-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-graph1.90-dev i386 1.90.0-6 [388 kB] Fetched 388 kB in 0s (31.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2ekbhlma/libboost-graph1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfreetype6 i386 2.14.3+dfsg-1 [504 kB] Fetched 504 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphxvvbss3/libfreetype6_2.14.3+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcgraph8 i386 14.1.2-1+b2 [64.4 kB] Fetched 64.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5flas98z/libcgraph8_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-thread-dev i386 1.90.0.2 [2884 B] Fetched 2884 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn5p5uk_e/libboost-thread-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libblkid1 i386 2.42.2-1 [190 kB] Fetched 190 kB in 0s (17.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjnmcsa6b/libblkid1_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 liblzo2-2 i386 2.10-3+b2 [58.1 kB] Fetched 58.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjcs46wxj/liblzo2-2_2.10-3+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 doxygen i386 1.15.0+ds1-1.1 [5747 kB] Fetched 5747 kB in 0s (148 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6nvtpp1p/doxygen_1.15.0+ds1-1.1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwxgtk3.2-1t64 i386 3.2.9+dfsg-1+b1 [5033 kB] Fetched 5033 kB in 0s (132 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg4_nv8zd/libwxgtk3.2-1t64_3.2.9+dfsg-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-wave1.90-dev i386 1.90.0-6 [496 kB] Fetched 496 kB in 0s (43.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpon_btw2x/libboost-wave1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-nowide1.90-dev i386 1.90.0-6 [227 kB] Fetched 227 kB in 0s (21.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpux1vxwhh/libboost-nowide1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libidn2-0 i386 2.3.8-5 [110 kB] Fetched 110 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppia55j6y/libidn2-0_2.3.8-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxfixes3 i386 1:6.0.0-2+b5 [20.6 kB] Fetched 20.6 kB in 0s (0 B/s) dpkg-name: info: moved 'libxfixes3_1%3a6.0.0-2+b5_i386.deb' to '/srv/rebuilderd/tmp/tmpr_ovoxoq/libxfixes3_6.0.0-2+b5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gettext-base i386 1.0-1 [333 kB] Fetched 333 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvveg_wnu/gettext-base_1.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 tex-common all 6.20 [29.7 kB] Fetched 29.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmi2p2khj/tex-common_6.20_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmount1 i386 2.42.2-1 [231 kB] Fetched 231 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyyl5smlr/libmount1_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgd3 i386 2.3.3-13+b2 [130 kB] Fetched 130 kB in 0s (12.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp__8fst6g/libgd3_2.3.3-13+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwxbase3.2-1t64 i386 3.2.9+dfsg-1+b1 [1129 kB] Fetched 1129 kB in 0s (69.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzrhv6iyn/libwxbase3.2-1t64_3.2.9+dfsg-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdrm2 i386 2.4.134-2 [41.6 kB] Fetched 41.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1o2k5m22/libdrm2_2.4.134-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 texlive-latex-extra all 2026.20260527-1 [32.9 MB] Fetched 32.9 MB in 0s (76.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk0_97ytk/texlive-latex-extra_2026.20260527-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 bsdextrautils i386 2.42.2-1 [104 kB] Fetched 104 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcrdbqf03/bsdextrautils_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libijs-0.35 i386 0.35-16+b2 [15.6 kB] Fetched 15.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_ft5fmxh/libijs-0.35_0.35-16+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-setuptools all 78.1.1-0.1 [738 kB] Fetched 738 kB in 0s (73.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpthf5kcd_/python3-setuptools_78.1.1-0.1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libselinux-dev i386 3.10-1 [179 kB] Fetched 179 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9wbt8zw5/libselinux-dev_3.10-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpkgconf7 i386 2.5.1-4 [49.8 kB] Fetched 49.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuym83oed/libpkgconf7_2.5.1-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxrender-dev i386 1:0.9.12-1+b2 [40.4 kB] Fetched 40.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libxrender-dev_1%3a0.9.12-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmplybrtokv/libxrender-dev_0.9.12-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 swig i386 4.4.1-2 [1579 kB] Fetched 1579 kB in 0s (115 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_7dg1ogg/swig_4.4.1-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-xfixes0 i386 1.17.0-2+b2 [110 kB] Fetched 110 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqbqehxn7/libxcb-xfixes0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libasyncns0 i386 0.8-8 [12.9 kB] Fetched 12.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb13xdcur/libasyncns0_0.8-8_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxtst6 i386 2:1.2.5-1+b2 [26.7 kB] Fetched 26.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libxtst6_2%3a1.2.5-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpitpghtfm/libxtst6_1.2.5-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcairo2 i386 1.18.4-3+b1 [596 kB] Fetched 596 kB in 0s (58.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpj8xgjsqk/libcairo2_1.18.4-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libc6 i386 2.42-17 [1659 kB] Fetched 1659 kB in 0s (120 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb3y2nq79/libc6_2.42-17_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdeflate0 i386 1.25-1 [46.8 kB] Fetched 46.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmx4oiudw/libdeflate0_1.25-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfontenc1 i386 1:1.1.8-1+b3 [23.3 kB] Fetched 23.3 kB in 0s (0 B/s) dpkg-name: info: moved 'libfontenc1_1%3a1.1.8-1+b3_i386.deb' to '/srv/rebuilderd/tmp/tmp_3nxa7vj/libfontenc1_1.1.8-1+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 pkgconf i386 2.5.1-4 [33.6 kB] Fetched 33.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu3qapoce/pkgconf_2.5.1-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgio-2.0-dev-bin i386 2.88.2-1 [151 kB] Fetched 151 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz7vb79o9/libgio-2.0-dev-bin_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-autocommand all 2.2.2-4 [13.7 kB] Fetched 13.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5_ct1xne/python3-autocommand_2.2.2-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgl-dev i386 1.7.0-3+b1 [99.8 kB] Fetched 99.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6c5oug58/libgl-dev_1.7.0-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgvplugin-pango8 i386 14.1.2-1+b2 [31.8 kB] Fetched 31.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpenxawtvr/libgvplugin-pango8_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxshmfence1 i386 1.3.3-1+b2 [11.3 kB] Fetched 11.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjjfgawzu/libxshmfence1_1.3.3-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 hostname i386 3.25 [11.3 kB] Fetched 11.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp61h3s322/hostname_3.25_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpam-modules-bin i386 1.7.0-6 [48.5 kB] Fetched 48.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpapij48bt/libpam-modules-bin_1.7.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-shm0-dev i386 1.17.0-2+b2 [108 kB] Fetched 108 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz1i3ak1g/libxcb-shm0-dev_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmaeparser-dev i386 1.3.3-4+b1 [13.0 kB] Fetched 13.0 kB in 0s (266 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxd96nggi/libmaeparser-dev_1.3.3-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglib2.0-bin i386 2.88.2-1 [117 kB] Fetched 117 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg3vylrzi/libglib2.0-bin_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsdl3-0 i386 3.4.10+ds-1 [1108 kB] Fetched 1108 kB in 0s (78.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp9lyghud/libsdl3-0_3.4.10+ds-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 librhash1 i386 1.4.6-1.1+b1 [148 kB] Fetched 148 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzd4mus4r/librhash1_1.4.6-1.1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libseccomp2 i386 2.6.0-2+b1 [55.0 kB] Fetched 55.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfatl8jch/libseccomp2_2.6.0-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 zlib1g-dev i386 1:1.3.dfsg+really1.3.2-3 [915 kB] Fetched 915 kB in 0s (80.4 MB/s) dpkg-name: info: moved 'zlib1g-dev_1%3a1.3.dfsg+really1.3.2-3_i386.deb' to '/srv/rebuilderd/tmp/tmp_5d5cc5_/zlib1g-dev_1.3.dfsg+really1.3.2-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libreadline8t64 i386 8.3-4 [185 kB] Fetched 185 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppfzvjafl/libreadline8t64_8.3-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libice6 i386 2:1.1.1-1+b2 [68.8 kB] Fetched 68.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libice6_2%3a1.1.1-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpgy1o63wp/libice6_1.1.1-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-serialization-dev i386 1.90.0.2 [3088 B] Fetched 3088 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmplgryon5i/libboost-serialization-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libidn12 i386 1.44-1 [48.3 kB] Fetched 48.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2ifxikfe/libidn12_1.44-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libaudit-common all 1:4.1.2-1 [14.3 kB] Fetched 14.3 kB in 0s (0 B/s) dpkg-name: info: moved 'libaudit-common_1%3a4.1.2-1_all.deb' to '/srv/rebuilderd/tmp/tmpal_ajlo4/libaudit-common_4.1.2-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgcc-s1 i386 16.1.0-2 [87.8 kB] Fetched 87.8 kB in 0s (7886 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp11yyn9wt/libgcc-s1_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libarchive-zip-perl all 1.68-1 [104 kB] Fetched 104 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbvvdg4y8/libarchive-zip-perl_1.68-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 native-architecture all 0.2.6 [2264 B] Fetched 2264 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpipf5pybh/native-architecture_0.2.6_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-fiber1.90-dev i386 1.90.0-6 [262 kB] Fetched 262 kB in 0s (25.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph35g0jyd/libboost-fiber1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3 i386 3.14.6-1 [25.1 kB] Fetched 25.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppoke57x0/python3_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgs-common all 10.07.1~dfsg-1 [143 kB] Fetched 143 kB in 0s (14.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdt3rglvr/libgs-common_10.07.1~dfsg-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 mesa-libgallium i386 26.1.2-1 [10.9 MB] Fetched 10.9 MB in 0s (243 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfg67mfjh/mesa-libgallium_26.1.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 file i386 1:5.47-4 [43.1 kB] Fetched 43.1 kB in 0s (0 B/s) dpkg-name: info: moved 'file_1%3a5.47-4_i386.deb' to '/srv/rebuilderd/tmp/tmpj9yupc21/file_5.47-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcap-ng0 i386 0.9.3-1 [18.2 kB] Fetched 18.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqtuvyflt/libcap-ng0_0.9.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 findutils i386 4.10.0-4 [712 kB] Fetched 712 kB in 0s (61.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8sfrycqp/findutils_4.10.0-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 pkgconf-bin i386 2.5.1-4 [36.1 kB] Fetched 36.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb1lcgwe5/pkgconf-bin_2.5.1-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-timer1.90.0 i386 1.90.0-6 [227 kB] Fetched 227 kB in 0s (21.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8kfp4lla/libboost-timer1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libatspi2.0-0t64 i386 2.61.0-1 [86.2 kB] Fetched 86.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjxirih2e/libatspi2.0-0t64_2.61.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 man-db i386 2.13.1-1 [1478 kB] Fetched 1478 kB in 0s (110 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_41qrmez/man-db_2.13.1-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 liblzma5 i386 5.8.3-1 [343 kB] Fetched 343 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl6bs_dko/liblzma5_5.8.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 procps i386 2:4.0.4-9+b2 [878 kB] Fetched 878 kB in 0s (74.8 MB/s) dpkg-name: info: moved 'procps_2%3a4.0.4-9+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpkkl6mmbw/procps_4.0.4-9+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpixman-1-0 i386 0.46.4-1+b2 [258 kB] Fetched 258 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3r6hwf05/libpixman-1-0_0.46.4-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Fetched 12.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp55_hcxei/python3-jaraco.functools_4.1.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-test1.90-dev i386 1.90.0-6 [550 kB] Fetched 550 kB in 0s (42.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2c97azy3/libboost-test1.90-dev_1.90.0-6_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libsystemd0 i386 261-1 [497 kB] Fetched 497 kB in 0s (48.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsxjarnlx/libsystemd0_261-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjansson4 i386 2.15.0-1 [68.9 kB] Fetched 68.9 kB in 0s (6550 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptyos1kmn/libjansson4_2.15.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgtk-3-common all 3.24.52-1 [4929 kB] Fetched 4929 kB in 0s (179 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpakw_f2hf/libgtk-3-common_3.24.52-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xdg-utils all 1.2.1-2 [75.8 kB] Fetched 75.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6w8aa03v/xdg-utils_1.2.1-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-wave1.90.0 i386 1.90.0-6 [440 kB] Fetched 440 kB in 0s (34.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2xjv15cf/libboost-wave1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xfonts-utils i386 1:7.7+7 [95.1 kB] Fetched 95.1 kB in 0s (0 B/s) dpkg-name: info: moved 'xfonts-utils_1%3a7.7+7_i386.deb' to '/srv/rebuilderd/tmp/tmp3l5kmjsu/xfonts-utils_7.7+7_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtext-charwidth-perl i386 0.04-12 [9180 B] Fetched 9180 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptup9s1w5/libtext-charwidth-perl_0.04-12_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglu1-mesa-dev i386 9.0.2-1.1+b4 [233 kB] Fetched 233 kB in 0s (20.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprnmc8sdg/libglu1-mesa-dev_9.0.2-1.1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-math-dev i386 1.90.0.2 [3056 B] Fetched 3056 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjk6kvodx/libboost-math-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdebconfclient0 i386 0.283 [7596 B] Fetched 7596 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvi5qotyw/libdebconfclient0_0.283_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcursor1 i386 1:1.2.3-1+b2 [41.8 kB] Fetched 41.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libxcursor1_1%3a1.2.3-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmp1x3nfmk5/libxcursor1_1.2.3-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-json1.90-dev i386 1.90.0-6 [392 kB] Fetched 392 kB in 0s (32.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo20e6szw/libboost-json1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dh-autoreconf all 22 [12.2 kB] Fetched 12.2 kB in 0s (1180 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz5zpu4il/dh-autoreconf_22_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-container1.90-dev i386 1.90.0-6 [259 kB] Fetched 259 kB in 0s (21.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzph7k32j/libboost-container1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpcre2-32-0 i386 10.46-1+b2 [265 kB] Fetched 265 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu2121a7k/libpcre2-32-0_10.46-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxau6 i386 1:1.0.11-1+b2 [21.1 kB] Fetched 21.1 kB in 0s (0 B/s) dpkg-name: info: moved 'libxau6_1%3a1.0.11-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmp6h5s9cmc/libxau6_1.0.11-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxi6 i386 2:1.8.2-2+b1 [81.4 kB] Fetched 81.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libxi6_2%3a1.8.2-2+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp1s9z_vhq/libxi6_1.8.2-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 texlive-latex-recommended all 2026.20260527-3 [8452 kB] Fetched 8452 kB in 0s (152 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjrteu72j/texlive-latex-recommended_2026.20260527-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libltdl7 i386 2.5.4-11 [417 kB] Fetched 417 kB in 0s (35.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjjedxbps/libltdl7_2.5.4-11_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libnghttp2-14 i386 1.69.0-1 [95.7 kB] Fetched 95.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp85f_yh74/libnghttp2-14_1.69.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjbig2dec0 i386 0.20-1+b4 [67.3 kB] Fetched 67.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9n9r7fai/libjbig2dec0_0.20-1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libatk-bridge2.0-0t64 i386 2.61.0-1 [71.4 kB] Fetched 71.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb9r17p3e/libatk-bridge2.0-0t64_2.61.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libx11-6 i386 2:1.8.13-1 [846 kB] Fetched 846 kB in 0s (73.6 MB/s) dpkg-name: info: moved 'libx11-6_2%3a1.8.13-1_i386.deb' to '/srv/rebuilderd/tmp/tmp3t604cms/libx11-6_1.8.13-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-context-dev i386 1.90.0.2 [3068 B] Fetched 3068 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpknela0io/libboost-context-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 wx3.2-headers all 3.2.9+dfsg-1 [1132 kB] Fetched 1132 kB in 0s (62.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphlum6bvs/wx3.2-headers_3.2.9+dfsg-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-render0 i386 1.17.0-2+b2 [116 kB] Fetched 116 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppo_wy8bp/libxcb-render0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-jaraco.text all 4.0.0-1 [11.4 kB] Fetched 11.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpj9nlberp/python3-jaraco.text_4.0.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtext-wrapi18n-perl all 0.06-11 [7788 B] Fetched 7788 B in 0s (713 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprvrizia7/libtext-wrapi18n-perl_0.06-11_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcommons-parent-java all 56-1 [10.8 kB] Fetched 10.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp1wcbua8/libcommons-parent-java_56-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwebp7 i386 1.5.0-0.1+b2 [328 kB] Fetched 328 kB in 0s (28.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcqyms23v/libwebp7_1.5.0-0.1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libuuid1 i386 2.42.2-1 [35.0 kB] Fetched 35.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkfagfdcc/libuuid1_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 bzip2 i386 1.0.8-6+b2 [40.6 kB] Fetched 40.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpga6ent5u/bzip2_1.0.8-6+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libbz2-dev i386 1.0.8-6+b2 [31.7 kB] Fetched 31.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxth5j89f/libbz2-dev_1.0.8-6+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libthai0 i386 0.1.30-1+b1 [53.0 kB] Fetched 53.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6pjggcsn/libthai0_0.1.30-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libisl23 i386 0.27-2 [752 kB] Fetched 752 kB in 0s (72.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf3kdhjcv/libisl23_0.27-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdrm-common all 2.4.134-2 [7840 B] Fetched 7840 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp89n69j9u/libdrm-common_2.4.134-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 fontconfig i386 2.17.1-5 [191 kB] Fetched 191 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo_l2bs79/fontconfig_2.17.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 debconf all 1.5.92 [123 kB] Fetched 123 kB in 0s (10.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdrjhy6yi/debconf_1.5.92_all.deb' Downloading dependency 254 of 613: init-system-helpers:i386=1.69 Downloading dependency 255 of 613: libfreetype-dev:i386=2.14.3+dfsg-1 Downloading dependency 256 of 613: libflac14:i386=1.5.0+ds-5+b1 Downloading dependency 257 of 613: libboost-program-options1.90.0:i386=1.90.0-6 Downloading dependency 258 of 613: libglib2.0-dev:i386=2.88.2-1 Downloading dependency 259 of 613: wx-common:i386=3.2.9+dfsg-1+b1 Downloading dependency 260 of 613: libldap2:i386=2.6.13+dfsg-1 Downloading dependency 261 of 613: libpipeline1:i386=1.5.8-3 Downloading dependency 262 of 613: liblerc4:i386=4.1.0+ds-1 Downloading dependency 263 of 613: bash:i386=5.3-3 Downloading dependency 264 of 613: libboost-nowide-dev:i386=1.90.0.2 Downloading dependency 265 of 613: libsm6:i386=2:1.2.6-1+b2 Downloading dependency 266 of 613: libfile-stripnondeterminism-perl:i386=1.15.1-1 Downloading dependency 267 of 613: libboost-exception1.90-dev:i386=1.90.0-6 Downloading dependency 268 of 613: libglib2.0-data:i386=2.88.2-1 Downloading dependency 269 of 613: libnghttp3-9:i386=1.15.0-1 Downloading dependency 270 of 613: libboost-numpy-dev:i386=1.90.0.2 Downloading dependency 271 of 613: libboost-graph1.90-dev:i386=1.90.0-6 Downloading dependency 272 of 613: libfreetype6:i386=2.14.3+dfsg-1 Downloading dependency 273 of 613: libcgraph8:i386=14.1.2-1+b2 Downloading dependency 274 of 613: libboost-thread-dev:i386=1.90.0.2 Downloading dependency 275 of 613: libblkid1:i386=2.42.2-1 Downloading dependency 276 of 613: liblzo2-2:i386=2.10-3+b2 Downloading dependency 277 of 613: doxygen:i386=1.15.0+ds1-1.1 Downloading dependency 278 of 613: libwxgtk3.2-1t64:i386=3.2.9+dfsg-1+b1 Downloading dependency 279 of 613: libboost-wave1.90-dev:i386=1.90.0-6 Downloading dependency 280 of 613: libboost-nowide1.90-dev:i386=1.90.0-6 Downloading dependency 281 of 613: libidn2-0:i386=2.3.8-5 Downloading dependency 282 of 613: libxfixes3:i386=1:6.0.0-2+b5 Downloading dependency 283 of 613: gettext-base:i386=1.0-1 Downloading dependency 284 of 613: tex-common:i386=6.20 Downloading dependency 285 of 613: libmount1:i386=2.42.2-1 Downloading dependency 286 of 613: libgd3:i386=2.3.3-13+b2 Downloading dependency 287 of 613: libwxbase3.2-1t64:i386=3.2.9+dfsg-1+b1 Downloading dependency 288 of 613: libdrm2:i386=2.4.134-2 Downloading dependency 289 of 613: texlive-latex-extra:i386=2026.20260527-1 Downloading dependency 290 of 613: bsdextrautils:i386=2.42.2-1 Downloading dependency 291 of 613: libijs-0.35:i386=0.35-16+b2 Downloading dependency 292 of 613: python3-setuptools:i386=78.1.1-0.1 Downloading dependency 293 of 613: libselinux-dev:i386=3.10-1 Downloading dependency 294 of 613: libpkgconf7:i386=2.5.1-4 Downloading dependency 295 of 613: libxrender-dev:i386=1:0.9.12-1+b2 Downloading dependency 296 of 613: swig:i386=4.4.1-2 Downloading dependency 297 of 613: libxcb-xfixes0:i386=1.17.0-2+b2 Downloading dependency 298 of 613: libasyncns0:i386=0.8-8 Downloading dependency 299 of 613: libxtst6:i386=2:1.2.5-1+b2 Downloading dependency 300 of 613: libcairo2:i386=1.18.4-3+b1 Downloading dependency 301 of 613: libc6:i386=2.42-17 Downloading dependency 302 of 613: libdeflate0:i386=1.25-1 Downloading dependency 303 of 613: libfontenc1:i386=1:1.1.8-1+b3 Downloading dependency 304 of 613: pkgconf:i386=2.5.1-4 Downloading dependency 305 of 613: libgio-2.0-dev-bin:i386=2.88.2-1 Downloading dependency 306 of 613: python3-autocommand:i386=2.2.2-4 Downloading dependency 307 of 613: libgl-dev:i386=1.7.0-3+b1 Downloading dependency 308 of 613: libgvplugin-pango8:i386=14.1.2-1+b2 Downloading dependency 309 of 613: libxshmfence1:i386=1.3.3-1+b2 Downloading dependency 310 of 613: hostname:i386=3.25 Downloading dependency 311 of 613: libpam-modules-bin:i386=1.7.0-6 Downloading dependency 312 of 613: libxcb-shm0-dev:i386=1.17.0-2+b2 Downloading dependency 313 of 613: libmaeparser-dev:i386=1.3.3-4+b1 Downloading dependency 314 of 613: libglib2.0-bin:i386=2.88.2-1 Downloading dependency 315 of 613: libsdl3-0:i386=3.4.10+ds-1 Downloading dependency 316 of 613: librhash1:i386=1.4.6-1.1+b1 Downloading dependency 317 of 613: libseccomp2:i386=2.6.0-2+b1 Downloading dependency 318 of 613: zlib1g-dev:i386=1:1.3.dfsg+really1.3.2-3 Downloading dependency 319 of 613: libreadline8t64:i386=8.3-4 Downloading dependency 320 of 613: libice6:i386=2:1.1.1-1+b2 Downloading dependency 321 of 613: libboost-serialization-dev:i386=1.90.0.2 Downloading dependency 322 of 613: libidn12:i386=1.44-1 Downloading dependency 323 of 613: libaudit-common:i386=1:4.1.2-1 Downloading dependency 324 of 613: libgcc-s1:i386=16.1.0-2 Downloading dependency 325 of 613: libarchive-zip-perl:i386=1.68-1 Downloading dependency 326 of 613: native-architecture:i386=0.2.6 Downloading dependency 327 of 613: libboost-fiber1.90-dev:i386=1.90.0-6 Downloading dependency 328 of 613: python3:i386=3.14.6-1 Downloading dependency 329 of 613: libgs-common:i386=10.07.1~dfsg-1 Downloading dependency 330 of 613: mesa-libgallium:i386=26.1.2-1 Downloading dependency 331 of 613: file:i386=1:5.47-4 Downloading dependency 332 of 613: libcap-ng0:i386=0.9.3-1 Downloading dependency 333 of 613: findutils:i386=4.10.0-4 Downloading dependency 334 of 613: pkgconf-bin:i386=2.5.1-4 Downloading dependency 335 of 613: libboost-timer1.90.0:i386=1.90.0-6 Downloading dependency 336 of 613: libatspi2.0-0t64:i386=2.61.0-1 Downloading dependency 337 of 613: man-db:i386=2.13.1-1 Downloading dependency 338 of 613: liblzma5:i386=5.8.3-1 Downloading dependency 339 of 613: procps:i386=2:4.0.4-9+b2 Downloading dependency 340 of 613: libpixman-1-0:i386=0.46.4-1+b2 Downloading dependency 341 of 613: python3-jaraco.functools:i386=4.1.0-1 Downloading dependency 342 of 613: libboost-test1.90-dev:i386=1.90.0-6 Downloading dependency 343 of 613: libsystemd0:i386=261-1 Downloading dependency 344 of 613: libjansson4:i386=2.15.0-1 Downloading dependency 345 of 613: libgtk-3-common:i386=3.24.52-1 Downloading dependency 346 of 613: xdg-utils:i386=1.2.1-2 Downloading dependency 347 of 613: libboost-wave1.90.0:i386=1.90.0-6 Downloading dependency 348 of 613: xfonts-utils:i386=1:7.7+7 Downloading dependency 349 of 613: libtext-charwidth-perl:i386=0.04-12 Downloading dependency 350 of 613: libglu1-mesa-dev:i386=9.0.2-1.1+b4 Downloading dependency 351 of 613: libboost-math-dev:i386=1.90.0.2 Downloading dependency 352 of 613: libdebconfclient0:i386=0.283 Downloading dependency 353 of 613: libxcursor1:i386=1:1.2.3-1+b2 Downloading dependency 354 of 613: libboost-json1.90-dev:i386=1.90.0-6 Downloading dependency 355 of 613: dh-autoreconf:i386=22 Downloading dependency 356 of 613: libboost-container1.90-dev:i386=1.90.0-6 Downloading dependency 357 of 613: libpcre2-32-0:i386=10.46-1+b2 Downloading dependency 358 of 613: libxau6:i386=1:1.0.11-1+b2 Downloading dependency 359 of 613: libxi6:i386=2:1.8.2-2+b1 Downloading dependency 360 of 613: texlive-latex-recommended:i386=2026.20260527-3 Downloading dependency 361 of 613: libltdl7:i386=2.5.4-11 Downloading dependency 362 of 613: libnghttp2-14:i386=1.69.0-1 Downloading dependency 363 of 613: libjbig2dec0:i386=0.20-1+b4 Downloading dependency 364 of 613: libatk-bridge2.0-0t64:i386=2.61.0-1 Downloading dependency 365 of 613: libx11-6:i386=2:1.8.13-1 Downloading dependency 366 of 613: libboost-context-dev:i386=1.90.0.2 Downloading dependency 367 of 613: wx3.2-headers:i386=3.2.9+dfsg-1 Downloading dependency 368 of 613: libxcb-render0:i386=1.17.0-2+b2 Downloading dependency 369 of 613: python3-jaraco.text:i386=4.0.0-1 Downloading dependency 370 of 613: libtext-wrapi18n-perl:i386=0.06-11 Downloading dependency 371 of 613: libcommons-parent-java:i386=56-1 Downloading dependency 372 of 613: libwebp7:i386=1.5.0-0.1+b2 Downloading dependency 373 of 613: libuuid1:i386=2.42.2-1 Downloading dependency 374 of 613: bzip2:i386=1.0.8-6+b2 Downloading dependency 375 of 613: libbz2-dev:i386=1.0.8-6+b2 Downloading dependency 376 of 613: libthai0:i386=0.1.30-1+b1 Downloading dependency 377 of 613: libisl23:i386=0.27-2 Downloading dependency 378 of 613: libdrm-common:i386=2.4.134-2 Downloading dependency 379 of 613: fontconfig:i386=2.17.1-5 Downloading dependency 380 of 613: debconf:i386=1.5.92 Downloading dependency 381 of 613: libgomp1:i386=16.1.0-2Get:1 http://deb.debian.org/debian unstable/main i386 libgomp1 i386 16.1.0-2 [153 kB] Fetched 153 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpva_glp7c/libgomp1_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-mpi-python1.90-dev i386 1.90.0-6 [229 kB] Fetched 229 kB in 0s (22.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy9mjndp0/libboost-mpi-python1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 mawk i386 1.3.4.20260302-1 [145 kB] Fetched 145 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppos1a8et/mawk_1.3.4.20260302-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 media-types all 14.0.0 [30.8 kB] Fetched 30.8 kB in 0s (2997 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp70jjflu/media-types_14.0.0_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 adwaita-icon-theme all 50.0-2 [506 kB] Fetched 506 kB in 0s (48.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwdteojto/adwaita-icon-theme_50.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgssapi-krb5-2 i386 1.22.1-3 [147 kB] Fetched 147 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph1jhogur/libgssapi-krb5-2_1.22.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgvplugin-gd8 i386 14.1.2-1+b2 [28.3 kB] Fetched 28.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbs2wpohk/libgvplugin-gd8_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-locale-dev i386 1.90.0.2 [3184 B] Fetched 3184 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprguau7k_/libboost-locale-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libc6-dev i386 2.42-17 [1813 kB] Fetched 1813 kB in 0s (125 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpdd5n9lcl/libc6-dev_2.42-17_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libavif16 i386 1.4.1-1+b1 [154 kB] Fetched 154 kB in 0s (14.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphx11zwe4/libavif16_1.4.1-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-exception-dev i386 1.90.0.2 [2852 B] Fetched 2852 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnpjbm0jb/libboost-exception-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 mpi-default-bin i386 1.20 [2720 B] Fetched 2720 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpeajer3t5/mpi-default-bin_1.20_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpam0g i386 1.7.0-6 [69.3 kB] Fetched 69.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp213hwdqc/libpam0g_1.7.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpdfbox-java all 1:1.8.16-5 [5527 kB] Fetched 5527 kB in 0s (138 MB/s) dpkg-name: info: moved 'libpdfbox-java_1%3a1.8.16-5_all.deb' to '/srv/rebuilderd/tmp/tmpy8824uyv/libpdfbox-java_1.8.16-5_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 linux-libc-dev all 7.0.13-1 [2021 kB] Fetched 2021 kB in 0s (132 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5dig401_/linux-libc-dev_7.0.13-1_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260628T204121Z rc-buggy/main i386 libeigen3-dev all 5.0.1-1~exp1 [1192 kB] Fetched 1192 kB in 0s (3245 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpg5k18iyv/libeigen3-dev_5.0.1-1~exp1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 make i386 4.4.1-3 [470 kB] Fetched 470 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4pap_tz0/make_4.4.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libffi-dev i386 3.5.2-4 [61.6 kB] Fetched 61.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpm9jwdx79/libffi-dev_3.5.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libssl3t64 i386 3.6.3-1 [2460 kB] Fetched 2460 kB in 0s (143 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxba82kw5/libssl3t64_3.6.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libselinux1 i386 3.10-1 [88.4 kB] Fetched 88.4 kB in 0s (8449 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmproxq7su4/libselinux1_3.10-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxml2-dev i386 2.15.3+dfsg-1 [799 kB] Fetched 799 kB in 0s (57.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgqag_y4y/libxml2-dev_2.15.3+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-typing-extensions all 4.15.0-2 [92.5 kB] Fetched 92.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnzf_ycxg/python3-typing-extensions_4.15.0-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsmartcols1 i386 2.42.2-1 [154 kB] Fetched 154 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphzry0tfr/libsmartcols1_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost1.90-tools-dev i386 1.90.0-6 [1408 kB] Fetched 1408 kB in 0s (78.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjkqi6w_x/libboost1.90-tools-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 mpi-default-dev i386 1.20 [3504 B] Fetched 3504 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpmy_2koea/mpi-default-dev_1.20_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xkb-data all 2.47-1 [835 kB] Fetched 835 kB in 0s (69.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpatqldjhw/xkb-data_2.47-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsm-dev i386 2:1.2.6-1+b2 [41.4 kB] Fetched 41.4 kB in 0s (0 B/s) dpkg-name: info: moved 'libsm-dev_2%3a1.2.6-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpjbh1b9qp/libsm-dev_1.2.6-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libnuma1 i386 2.0.19-1+b2 [23.6 kB] Fetched 23.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp75dafe6r/libnuma1_2.0.19-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxt6t64 i386 1:1.2.1-1.3+b2 [194 kB] Fetched 194 kB in 0s (17.5 MB/s) dpkg-name: info: moved 'libxt6t64_1%3a1.2.1-1.3+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpjm_qddkb/libxt6t64_1.2.1-1.3+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-nowide1.90.0 i386 1.90.0-6 [226 kB] Fetched 226 kB in 0s (21.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpgdtpi2_9/libboost-nowide1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcloudproviders0 i386 0.4.0-2+b1 [30.8 kB] Fetched 30.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp00aqjsbb/libcloudproviders0_0.4.0-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libk5crypto3 i386 1.22.1-3 [81.7 kB] Fetched 81.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp89koxq4z/libk5crypto3_1.22.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3.13-minimal i386 3.13.14-1 [2306 kB] Fetched 2306 kB in 0s (102 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpok9m2ny2/python3.13-minimal_3.13.14-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxxf86vm1 i386 1:1.1.4-2+b1 [21.0 kB] Fetched 21.0 kB in 0s (2034 kB/s) dpkg-name: info: moved 'libxxf86vm1_1%3a1.1.4-2+b1_i386.deb' to '/srv/rebuilderd/tmp/tmplb2b0jyg/libxxf86vm1_1.1.4-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 liblcms2-2 i386 2.19.1-1 [175 kB] Fetched 175 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwa3a_j_n/liblcms2-2_2.19.1-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-type-erasure-dev i386 1.90.0.2 [2960 B] Fetched 2960 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4i248m79/libboost-type-erasure-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 util-linux i386 2.42.2-1 [1268 kB] Fetched 1268 kB in 0s (89.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbr5p97zz/util-linux_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 glycin-thumbnailers i386 2.1.5+ds-2 [250 kB] Fetched 250 kB in 0s (23.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv7o8opdm/glycin-thumbnailers_2.1.5+ds-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-random1.90.0 i386 1.90.0-6 [231 kB] Fetched 231 kB in 0s (21.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpu4_82_7r/libboost-random1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-dev i386 1.90.0.2 [3064 B] Fetched 3064 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppune2v0u/libboost-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-dri3-0 i386 1.17.0-2+b2 [107 kB] Fetched 107 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz71nuh5k/libxcb-dri3-0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 binutils-i686-linux-gnu i386 2.46.50.20260617-1 [1132 kB] Fetched 1132 kB in 0s (80.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkuxo4kxg/binutils-i686-linux-gnu_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 grep i386 3.12-1 [451 kB] Fetched 451 kB in 0s (43.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp12gowgzv/grep_3.12-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcairo2-dev i386 1.18.4-3+b1 [41.8 kB] Fetched 41.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphrpnruqj/libcairo2-dev_1.18.4-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libkpathsea6 i386 2026.20260303.78225+ds-4 [161 kB] Fetched 161 kB in 0s (16.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7fhkad39/libkpathsea6_2026.20260303.78225+ds-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 perl-base i386 5.40.1-8 [1771 kB] Fetched 1771 kB in 0s (121 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbeqf5aof/perl-base_5.40.1-8_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmpich-dev i386 5.0.1-5 [4443 kB] Fetched 4443 kB in 0s (126 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5_112un2/libmpich-dev_5.0.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 zlib1g i386 1:1.3.dfsg+really1.3.2-3 [86.9 kB] Fetched 86.9 kB in 0s (0 B/s) dpkg-name: info: moved 'zlib1g_1%3a1.3.dfsg+really1.3.2-3_i386.deb' to '/srv/rebuilderd/tmp/tmpsg3k__ey/zlib1g_1.3.dfsg+really1.3.2-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3-stdlib i386 3.14.6-1 [8108 B] Fetched 8108 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpojml1mzf/libpython3-stdlib_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 glycin-loaders i386 2.1.5+ds-2 [3149 kB] Fetched 3149 kB in 0s (135 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpewlegfh4/glycin-loaders_2.1.5+ds-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgvc7 i386 14.1.2-1+b2 [396 kB] Fetched 396 kB in 0s (36.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptmzhaw1g/libgvc7_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgtk-3-0t64 i386 3.24.52-1 [3075 kB] Fetched 3075 kB in 0s (166 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_ddrw5bq/libgtk-3-0t64_3.24.52-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-test-dev i386 1.90.0.2 [2892 B] Fetched 2892 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3c11ku2d/libboost-test-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxmu6 i386 2:1.1.3-4+b1 [61.4 kB] Fetched 61.4 kB in 0s (6105 kB/s) dpkg-name: info: moved 'libxmu6_2%3a1.1.3-4+b1_i386.deb' to '/srv/rebuilderd/tmp/tmpvdii8mfy/libxmu6_1.1.3-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 fonts-urw-base35 all 20200910-9 [10.8 MB] Fetched 10.8 MB in 0s (143 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpafvgyk5c/fonts-urw-base35_20200910-9_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3.14-dev i386 3.14.6-1 [508 kB] Fetched 508 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb0pyb12i/python3.14-dev_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libc-gconv-modules-extra i386 2.42-17 [1105 kB] Fetched 1105 kB in 0s (77.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvf2m0_7l/libc-gconv-modules-extra_2.42-17_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcrypt1 i386 1:4.5.1-1+b1 [102 kB] Fetched 102 kB in 0s (0 B/s) dpkg-name: info: moved 'libcrypt1_1%3a4.5.1-1+b1_i386.deb' to '/srv/rebuilderd/tmp/tmptay0mpel/libcrypt1_4.5.1-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-randr0 i386 1.17.0-2+b2 [118 kB] Fetched 118 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxl3bf65o/libxcb-randr0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 liblzma-dev i386 5.8.3-1 [383 kB] Fetched 383 kB in 0s (33.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5yuav7s7/liblzma-dev_5.8.3-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libabsl20260107 i386 20260107.0-5 [606 kB] Fetched 606 kB in 0s (50.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpom4ifjw7/libabsl20260107_20260107.0-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsvtav1enc4 i386 4.1.0+dfsg-1 [1010 kB] Fetched 1010 kB in 0s (63.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_4nvp5gm/libsvtav1enc4_4.1.0+dfsg-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gfortran-15 i386 15.3.0-1 [22.2 kB] Fetched 22.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv_v4_lyu/gfortran-15_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 shared-mime-info i386 2.4-5+b3 [760 kB] Fetched 760 kB in 0s (72.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4kqkl4zr/shared-mime-info_2.4-5+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxdmcp6 i386 1:1.1.5-2+b1 [28.7 kB] Fetched 28.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libxdmcp6_1%3a1.1.5-2+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp7mfou2oe/libxdmcp6_1.1.5-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libperl-dev i386 5.40.1-8 [1220 kB] Fetched 1220 kB in 0s (83.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptxekk8xs/libperl-dev_5.40.1-8_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 texlive-base all 2026.20260527-3 [23.9 MB] Fetched 23.9 MB in 0s (82.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpefmsije1/texlive-base_2026.20260527-3_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 uuid-dev i386 2.42.2-1 [45.5 kB] Fetched 45.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0oej7vqe/uuid-dev_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libbz2-1.0 i386 1.0.8-6+b2 [37.5 kB] Fetched 37.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2h34vv7l/libbz2-1.0_1.0.8-6+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 patch i386 2.8-2 [142 kB] Fetched 142 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2upb10_w/patch_2.8-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 rpcsvc-proto i386 1.4.4-1 [67.1 kB] Fetched 67.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmps74gn4iu/rpcsvc-proto_1.4.4-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libice-dev i386 2:1.1.1-1+b2 [79.2 kB] Fetched 79.2 kB in 0s (0 B/s) dpkg-name: info: moved 'libice-dev_2%3a1.1.1-1+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpqrq5j1w3/libice-dev_1.1.1-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 cpp-i686-linux-gnu i386 4:15.2.0-5+b1 [4644 B] Fetched 4644 B in 0s (0 B/s) dpkg-name: info: moved 'cpp-i686-linux-gnu_4%3a15.2.0-5+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp1n8al2s0/cpp-i686-linux-gnu_15.2.0-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3.14-minimal i386 3.14.6-1 [895 kB] Fetched 895 kB in 0s (79.9 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp11l4v8ot/libpython3.14-minimal_3.14.6-1_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libclang1-21 i386 1:21.1.8-7+b3 [9049 kB] Fetched 9049 kB in 0s (172 MB/s) dpkg-name: info: moved 'libclang1-21_1%3a21.1.8-7+b3_i386.deb' to '/srv/rebuilderd/tmp/tmpfh8jqnro/libclang1-21_21.1.8-7+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 texlive-binaries i386 2026.20260303.78225+ds-4 [9042 kB] Fetched 9042 kB in 0s (170 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf0jdezov/texlive-binaries_2026.20260303.78225+ds-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libavahi-client3 i386 0.8-18 [51.4 kB] Fetched 51.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp171ul33h/libavahi-client3_0.8-18_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgfortran-15-dev i386 15.3.0-1 [779 kB] Fetched 779 kB in 0s (61.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpx0o6dqx_/libgfortran-15-dev_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libinchi-dev i386 1.07.3+dfsg-2 [19.6 kB] Fetched 19.6 kB in 0s (274 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp5scsxnn3/libinchi-dev_1.07.3+dfsg-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpng-dev i386 1.6.58-1 [376 kB] Fetched 376 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2l3cpqri/libpng-dev_1.6.58-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcoordgen-dev i386 3.0.2-4 [45.8 kB] Fetched 45.8 kB in 0s (469 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0rlrg2qm/libcoordgen-dev_3.0.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost1.90-dev i386 1.90.0-6 [11.3 MB] Fetched 11.3 MB in 0s (136 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_xkk1piu/libboost1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dh-strip-nondeterminism all 1.15.1-1 [6020 B] Fetched 6020 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv9w41mo4/dh-strip-nondeterminism_1.15.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3.13 i386 3.13.14-1 [781 kB] Fetched 781 kB in 0s (62.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpeyhg462j/python3.13_3.13.14-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 po-debconf all 1.0.22 [216 kB] Fetched 216 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprdpowesx/po-debconf_1.0.22_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 sed i386 4.9-3 [334 kB] Fetched 334 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1lbv3ngo/sed_4.9-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-coroutine-dev i386 1.90.0.2 [3140 B] Fetched 3140 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp13ua01th/libboost-coroutine-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Fetched 22.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd98ol724/intltool-debian_0.35.0+20060710.6_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libllvm21 i386 1:21.1.8-7+b3 [32.2 MB] Fetched 32.2 MB in 0s (283 MB/s) dpkg-name: info: moved 'libllvm21_1%3a21.1.8-7+b3_i386.deb' to '/srv/rebuilderd/tmp/tmpxxj3jo8o/libllvm21_21.1.8-7+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-graph-parallel-dev i386 1.90.0.2 [2984 B] Fetched 2984 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvpysaml7/libboost-graph-parallel-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtinfo6 i386 6.6+20251231-1+b1 [351 kB] Fetched 351 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyxgqon0m/libtinfo6_6.6+20251231-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 base-passwd i386 3.6.8 [55.1 kB] Fetched 55.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv5t2r3nx/base-passwd_3.6.8_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfribidi0 i386 1.0.16-5+b1 [26.6 kB] Fetched 26.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsibg4h5n/libfribidi0_1.0.16-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-process-dev i386 1.90.0.2 [2820 B] Fetched 2820 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyrf5nyha/libboost-process-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gfortran-15-i686-linux-gnu i386 15.3.0-1 [13.5 MB] Fetched 13.5 MB in 0s (116 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_e0vfnfe/gfortran-15-i686-linux-gnu_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgcc-15-dev i386 15.3.0-1 [2622 kB] Fetched 2622 kB in 0s (153 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppjpz1u02/libgcc-15-dev_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcoordgen3 i386 3.0.2-4 [217 kB] Fetched 217 kB in 0s (2626 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpd04z_8xi/libcoordgen3_3.0.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxdmcp-dev i386 1:1.1.5-2+b1 [44.8 kB] Fetched 44.8 kB in 0s (0 B/s) dpkg-name: info: moved 'libxdmcp-dev_1%3a1.1.5-2+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp3cil48rb/libxdmcp-dev_1.1.5-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xorg-sgml-doctools all 1:1.12.1-1 [23.9 kB] Fetched 23.9 kB in 0s (0 B/s) dpkg-name: info: moved 'xorg-sgml-doctools_1%3a1.12.1-1_all.deb' to '/srv/rebuilderd/tmp/tmpxklx21zf/xorg-sgml-doctools_1.12.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-url1.90-dev i386 1.90.0-6 [425 kB] Fetched 425 kB in 0s (35.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpx360y8mh/libboost-url1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcrypt-dev i386 1:4.5.1-1+b1 [134 kB] Fetched 134 kB in 0s (13.0 MB/s) dpkg-name: info: moved 'libcrypt-dev_1%3a4.5.1-1+b1_i386.deb' to '/srv/rebuilderd/tmp/tmpd4nmbh0p/libcrypt-dev_4.5.1-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libz3-4 i386 4.13.3-1.1 [9236 kB] Fetched 9236 kB in 0s (229 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp03sy4skv/libz3-4_4.13.3-1.1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-serialization1.90.0 i386 1.90.0-6 [335 kB] Fetched 335 kB in 0s (29.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpw58v_5h3/libboost-serialization1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 hicolor-icon-theme all 0.18-2 [11.8 kB] Fetched 11.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy_36s8km/hicolor-icon-theme_0.18-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libnettle8t64 i386 3.10.2-1+b1 [317 kB] Fetched 317 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkli5hip6/libnettle8t64_3.10.2-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-timer-dev i386 1.90.0.2 [2980 B] Fetched 2980 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzxmmt4zq/libboost-timer-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpcre2-8-0 i386 10.46-1+b2 [294 kB] Fetched 294 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph5cuq9j6/libpcre2-8-0_10.46-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 xtrans-dev all 1.6.0-1 [93.5 kB] Fetched 93.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbqv1xcen/xtrans-dev_1.6.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-numpy1.90.0 i386 1.90.0-6 [238 kB] Fetched 238 kB in 0s (22.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpc763q0k0/libboost-numpy1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-stacktrace1.90.0 i386 1.90.0-6 [290 kB] Fetched 290 kB in 0s (24.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp09ss_yth/libboost-stacktrace1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gzip i386 1.13-1 [139 kB] Fetched 139 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpy4oj5ip5/gzip_1.13-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libyuv0 i386 0.0.1922.20260106-1+b1 [112 kB] Fetched 112 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptn177ls5/libyuv0_0.0.1922.20260106-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libopengl-dev i386 1.7.0-3+b1 [4564 B] Fetched 4564 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn8rbsb78/libopengl-dev_1.7.0-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libattr1 i386 1:2.5.2-4 [23.3 kB] Fetched 23.3 kB in 0s (0 B/s) dpkg-name: info: moved 'libattr1_1%3a2.5.2-4_i386.deb' to '/srv/rebuilderd/tmp/tmpvks8tgj9/libattr1_2.5.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjs-sphinxdoc all 9.1.0-4 [45.7 kB] Fetched 45.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl60eqbet/libjs-sphinxdoc_9.1.0-4_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglib2.0-dev-bin i386 2.88.2-1 [37.6 kB] Fetched 37.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpq_jy81pd/libglib2.0-dev-bin_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsasl2-modules-db i386 2.1.28+dfsg1-11 [18.1 kB] Fetched 18.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxwvirl1w/libsasl2-modules-db_2.1.28+dfsg1-11_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libopenjp2-7 i386 2.5.4-1.1 [215 kB] Fetched 215 kB in 0s (19.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjpdjnep8/libopenjp2-7_2.5.4-1.1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-math1.90.0 i386 1.90.0-6 [417 kB] Fetched 417 kB in 0s (36.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0c2h58iy/libboost-math1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-graph1.90.0 i386 1.90.0-6 [363 kB] Fetched 363 kB in 0s (32.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbf6xwooc/libboost-graph1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libkrb5support0 i386 1.22.1-3 [33.2 kB] Fetched 33.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqi_c52u_/libkrb5support0_1.22.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libatomic1 i386 16.1.0-2 [8160 B] Fetched 8160 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp51f8amx8/libatomic1_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 groff-base i386 1.24.1-1 [1351 kB] Fetched 1351 kB in 0s (106 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprj01slao/groff-base_1.24.1-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libctf0 i386 2.46.50.20260617-1 [96.5 kB] Fetched 96.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmppsp53t15/libctf0_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxxhash0 i386 0.8.3-2+b2 [38.9 kB] Fetched 38.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_cy1mq8p/libxxhash0_0.8.3-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglx-dev i386 1.7.0-3+b1 [15.0 kB] Fetched 15.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsqz0jgtl/libglx-dev_1.7.0-3+b1_i386.deb' Downloading dependency 382 of 613: libboost-mpi-python1.90-dev:i386=1.90.0-6 Downloading dependency 383 of 613: mawk:i386=1.3.4.20260302-1 Downloading dependency 384 of 613: media-types:i386=14.0.0 Downloading dependency 385 of 613: adwaita-icon-theme:i386=50.0-2 Downloading dependency 386 of 613: libgssapi-krb5-2:i386=1.22.1-3 Downloading dependency 387 of 613: libgvplugin-gd8:i386=14.1.2-1+b2 Downloading dependency 388 of 613: libboost-locale-dev:i386=1.90.0.2 Downloading dependency 389 of 613: libc6-dev:i386=2.42-17 Downloading dependency 390 of 613: libavif16:i386=1.4.1-1+b1 Downloading dependency 391 of 613: libboost-exception-dev:i386=1.90.0.2 Downloading dependency 392 of 613: mpi-default-bin:i386=1.20 Downloading dependency 393 of 613: libpam0g:i386=1.7.0-6 Downloading dependency 394 of 613: libpdfbox-java:i386=1:1.8.16-5 Downloading dependency 395 of 613: linux-libc-dev:i386=7.0.13-1 Downloading dependency 396 of 613: libeigen3-dev:i386=5.0.1-1~exp1 Downloading dependency 397 of 613: make:i386=4.4.1-3 Downloading dependency 398 of 613: libffi-dev:i386=3.5.2-4 Downloading dependency 399 of 613: libssl3t64:i386=3.6.3-1 Downloading dependency 400 of 613: libselinux1:i386=3.10-1 Downloading dependency 401 of 613: libxml2-dev:i386=2.15.3+dfsg-1 Downloading dependency 402 of 613: python3-typing-extensions:i386=4.15.0-2 Downloading dependency 403 of 613: libsmartcols1:i386=2.42.2-1 Downloading dependency 404 of 613: libboost1.90-tools-dev:i386=1.90.0-6 Downloading dependency 405 of 613: mpi-default-dev:i386=1.20 Downloading dependency 406 of 613: xkb-data:i386=2.47-1 Downloading dependency 407 of 613: libsm-dev:i386=2:1.2.6-1+b2 Downloading dependency 408 of 613: libnuma1:i386=2.0.19-1+b2 Downloading dependency 409 of 613: libxt6t64:i386=1:1.2.1-1.3+b2 Downloading dependency 410 of 613: libboost-nowide1.90.0:i386=1.90.0-6 Downloading dependency 411 of 613: libcloudproviders0:i386=0.4.0-2+b1 Downloading dependency 412 of 613: libk5crypto3:i386=1.22.1-3 Downloading dependency 413 of 613: python3.13-minimal:i386=3.13.14-1 Downloading dependency 414 of 613: libxxf86vm1:i386=1:1.1.4-2+b1 Downloading dependency 415 of 613: liblcms2-2:i386=2.19.1-1 Downloading dependency 416 of 613: libboost-type-erasure-dev:i386=1.90.0.2 Downloading dependency 417 of 613: util-linux:i386=2.42.2-1 Downloading dependency 418 of 613: glycin-thumbnailers:i386=2.1.5+ds-2 Downloading dependency 419 of 613: libboost-random1.90.0:i386=1.90.0-6 Downloading dependency 420 of 613: libboost-dev:i386=1.90.0.2 Downloading dependency 421 of 613: libxcb-dri3-0:i386=1.17.0-2+b2 Downloading dependency 422 of 613: binutils-i686-linux-gnu:i386=2.46.50.20260617-1 Downloading dependency 423 of 613: grep:i386=3.12-1 Downloading dependency 424 of 613: libcairo2-dev:i386=1.18.4-3+b1 Downloading dependency 425 of 613: libkpathsea6:i386=2026.20260303.78225+ds-4 Downloading dependency 426 of 613: perl-base:i386=5.40.1-8 Downloading dependency 427 of 613: libmpich-dev:i386=5.0.1-5 Downloading dependency 428 of 613: zlib1g:i386=1:1.3.dfsg+really1.3.2-3 Downloading dependency 429 of 613: libpython3-stdlib:i386=3.14.6-1 Downloading dependency 430 of 613: glycin-loaders:i386=2.1.5+ds-2 Downloading dependency 431 of 613: libgvc7:i386=14.1.2-1+b2 Downloading dependency 432 of 613: libgtk-3-0t64:i386=3.24.52-1 Downloading dependency 433 of 613: libboost-test-dev:i386=1.90.0.2 Downloading dependency 434 of 613: libxmu6:i386=2:1.1.3-4+b1 Downloading dependency 435 of 613: fonts-urw-base35:i386=20200910-9 Downloading dependency 436 of 613: python3.14-dev:i386=3.14.6-1 Downloading dependency 437 of 613: libc-gconv-modules-extra:i386=2.42-17 Downloading dependency 438 of 613: libcrypt1:i386=1:4.5.1-1+b1 Downloading dependency 439 of 613: libxcb-randr0:i386=1.17.0-2+b2 Downloading dependency 440 of 613: liblzma-dev:i386=5.8.3-1 Downloading dependency 441 of 613: libabsl20260107:i386=20260107.0-5 Downloading dependency 442 of 613: libsvtav1enc4:i386=4.1.0+dfsg-1 Downloading dependency 443 of 613: gfortran-15:i386=15.3.0-1 Downloading dependency 444 of 613: shared-mime-info:i386=2.4-5+b3 Downloading dependency 445 of 613: libxdmcp6:i386=1:1.1.5-2+b1 Downloading dependency 446 of 613: libperl-dev:i386=5.40.1-8 Downloading dependency 447 of 613: texlive-base:i386=2026.20260527-3 Downloading dependency 448 of 613: uuid-dev:i386=2.42.2-1 Downloading dependency 449 of 613: libbz2-1.0:i386=1.0.8-6+b2 Downloading dependency 450 of 613: patch:i386=2.8-2 Downloading dependency 451 of 613: rpcsvc-proto:i386=1.4.4-1 Downloading dependency 452 of 613: libice-dev:i386=2:1.1.1-1+b2 Downloading dependency 453 of 613: cpp-i686-linux-gnu:i386=4:15.2.0-5+b1 Downloading dependency 454 of 613: libpython3.14-minimal:i386=3.14.6-1 Downloading dependency 455 of 613: libclang1-21:i386=1:21.1.8-7+b3 Downloading dependency 456 of 613: texlive-binaries:i386=2026.20260303.78225+ds-4 Downloading dependency 457 of 613: libavahi-client3:i386=0.8-18 Downloading dependency 458 of 613: libgfortran-15-dev:i386=15.3.0-1 Downloading dependency 459 of 613: libinchi-dev:i386=1.07.3+dfsg-2 Downloading dependency 460 of 613: libpng-dev:i386=1.6.58-1 Downloading dependency 461 of 613: libcoordgen-dev:i386=3.0.2-4 Downloading dependency 462 of 613: libboost1.90-dev:i386=1.90.0-6 Downloading dependency 463 of 613: dh-strip-nondeterminism:i386=1.15.1-1 Downloading dependency 464 of 613: python3.13:i386=3.13.14-1 Downloading dependency 465 of 613: po-debconf:i386=1.0.22 Downloading dependency 466 of 613: sed:i386=4.9-3 Downloading dependency 467 of 613: libboost-coroutine-dev:i386=1.90.0.2 Downloading dependency 468 of 613: intltool-debian:i386=0.35.0+20060710.6 Downloading dependency 469 of 613: libllvm21:i386=1:21.1.8-7+b3 Downloading dependency 470 of 613: libboost-graph-parallel-dev:i386=1.90.0.2 Downloading dependency 471 of 613: libtinfo6:i386=6.6+20251231-1+b1 Downloading dependency 472 of 613: base-passwd:i386=3.6.8 Downloading dependency 473 of 613: libfribidi0:i386=1.0.16-5+b1 Downloading dependency 474 of 613: libboost-process-dev:i386=1.90.0.2 Downloading dependency 475 of 613: gfortran-15-i686-linux-gnu:i386=15.3.0-1 Downloading dependency 476 of 613: libgcc-15-dev:i386=15.3.0-1 Downloading dependency 477 of 613: libcoordgen3:i386=3.0.2-4 Downloading dependency 478 of 613: libxdmcp-dev:i386=1:1.1.5-2+b1 Downloading dependency 479 of 613: xorg-sgml-doctools:i386=1:1.12.1-1 Downloading dependency 480 of 613: libboost-url1.90-dev:i386=1.90.0-6 Downloading dependency 481 of 613: libcrypt-dev:i386=1:4.5.1-1+b1 Downloading dependency 482 of 613: libz3-4:i386=4.13.3-1.1 Downloading dependency 483 of 613: libboost-serialization1.90.0:i386=1.90.0-6 Downloading dependency 484 of 613: hicolor-icon-theme:i386=0.18-2 Downloading dependency 485 of 613: libnettle8t64:i386=3.10.2-1+b1 Downloading dependency 486 of 613: libboost-timer-dev:i386=1.90.0.2 Downloading dependency 487 of 613: libpcre2-8-0:i386=10.46-1+b2 Downloading dependency 488 of 613: xtrans-dev:i386=1.6.0-1 Downloading dependency 489 of 613: libboost-numpy1.90.0:i386=1.90.0-6 Downloading dependency 490 of 613: libboost-stacktrace1.90.0:i386=1.90.0-6 Downloading dependency 491 of 613: gzip:i386=1.13-1 Downloading dependency 492 of 613: libyuv0:i386=0.0.1922.20260106-1+b1 Downloading dependency 493 of 613: libopengl-dev:i386=1.7.0-3+b1 Downloading dependency 494 of 613: libattr1:i386=1:2.5.2-4 Downloading dependency 495 of 613: libjs-sphinxdoc:i386=9.1.0-4 Downloading dependency 496 of 613: libglib2.0-dev-bin:i386=2.88.2-1 Downloading dependency 497 of 613: libsasl2-modules-db:i386=2.1.28+dfsg1-11 Downloading dependency 498 of 613: libopenjp2-7:i386=2.5.4-1.1 Downloading dependency 499 of 613: libboost-math1.90.0:i386=1.90.0-6 Downloading dependency 500 of 613: libboost-graph1.90.0:i386=1.90.0-6 Downloading dependency 501 of 613: libkrb5support0:i386=1.22.1-3 Downloading dependency 502 of 613: libatomic1:i386=16.1.0-2 Downloading dependency 503 of 613: groff-base:i386=1.24.1-1 Downloading dependency 504 of 613: libctf0:i386=2.46.50.20260617-1 Downloading dependency 505 of 613: libxxhash0:i386=0.8.3-2+b2 Downloading dependency 506 of 613: libglx-dev:i386=1.7.0-3+b1 Downloading dependency 507 of 613: autoconf:i386=2.73-2Get:1 http://deb.debian.org/debian unstable/main i386 autoconf all 2.73-2 [516 kB] Fetched 516 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8zk87rbs/autoconf_2.73-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpotrace0 i386 1.16-2+b3 [24.5 kB] Fetched 24.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0na01ron/libpotrace0_1.16-2+b3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 perl-modules-5.40 all 5.40.1-8 [3019 kB] Fetched 3019 kB in 0s (161 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpn8ixs675/perl-modules-5.40_5.40.1-8_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 t1utils i386 1.41-4 [62.3 kB] Fetched 62.3 kB in 0s (6056 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpe041_2mz/t1utils_1.41-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxext-dev i386 2:1.3.4-1+b4 [108 kB] Fetched 108 kB in 0s (0 B/s) dpkg-name: info: moved 'libxext-dev_2%3a1.3.4-1+b4_i386.deb' to '/srv/rebuilderd/tmp/tmp2nlb8ppc/libxext-dev_1.3.4-1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-fiber1.90.0 i386 1.90.0-6 [250 kB] Fetched 250 kB in 0s (24.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7npahcmg/libboost-fiber1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgdk-pixbuf2.0-common all 2.44.6+dfsg-2 [313 kB] Fetched 313 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0vu4am9b/libgdk-pixbuf2.0-common_2.44.6+dfsg-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libharfbuzz0b i386 12.3.2-2+b2 [532 kB] Fetched 532 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9siklc8q/libharfbuzz0b_12.3.2-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmagic-mgc i386 1:5.47-4 [345 kB] Fetched 345 kB in 0s (0 B/s) dpkg-name: info: moved 'libmagic-mgc_1%3a5.47-4_i386.deb' to '/srv/rebuilderd/tmp/tmpjqhlxnlz/libmagic-mgc_5.47-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 x11proto-dev all 2025.1-1 [605 kB] Fetched 605 kB in 0s (50.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp4im91jgn/x11proto-dev_2025.1-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-mpi1.90-dev i386 1.90.0-6 [285 kB] Fetched 285 kB in 0s (26.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi5amv_8j/libboost-mpi1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcom-err2 i386 1.47.4-1 [19.4 kB] Fetched 19.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpimjx6trw/libcom-err2_1.47.4-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 g++ i386 4:15.2.0-5+b1 [1344 B] Fetched 1344 B in 0s (0 B/s) dpkg-name: info: moved 'g++_4%3a15.2.0-5+b1_i386.deb' to '/srv/rebuilderd/tmp/tmp7xtvsaxd/g++_15.2.0-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtool all 2.5.4-11 [539 kB] Fetched 539 kB in 0s (53.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfh1j6ymi/libtool_2.5.4-11_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 rapidjson-dev all 1.1.0+dfsg2-7.6 [98.2 kB] Fetched 98.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpjncuwvov/rapidjson-dev_1.1.0+dfsg2-7.6_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libarchive13t64 i386 3.8.7-1 [402 kB] Fetched 402 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb_p8h25e/libarchive13t64_3.8.7-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsysprof-capture-4-dev i386 50.0-3 [52.1 kB] Fetched 52.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo3274iwf/libsysprof-capture-4-dev_50.0-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 binutils i386 2.46.50.20260617-1 [289 kB] Fetched 289 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf99o__vv/binutils_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dpkg-dev all 1.23.7 [1318 kB] Fetched 1318 kB in 0s (103 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp271j64tc/dpkg-dev_1.23.7_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libmpich12 i386 5.0.1-5 [2351 kB] Fetched 2351 kB in 0s (107 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpzb03_1ak/libmpich12_5.0.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libnuma-dev i386 2.0.19-1+b2 [38.5 kB] Fetched 38.5 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpx1sa64al/libnuma-dev_2.0.19-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgnutls30t64 i386 3.8.13-1 [1537 kB] Fetched 1537 kB in 0s (118 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpclbubd70/libgnutls30t64_3.8.13-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3.14 i386 3.14.6-1 [846 kB] Fetched 846 kB in 0s (76.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi3kgzlkg/python3.14_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 binutils-common i386 2.46.50.20260617-1 [2636 kB] Fetched 2636 kB in 0s (154 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyo12j0st/binutils-common_2.46.50.20260617-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 base-files i386 14.2 [87.9 kB] Fetched 87.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo160njcp/base-files_14.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 liblz4-1 i386 1.10.0-10 [64.6 kB] Fetched 64.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp69h94p17/liblz4-1_1.10.0-10_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dconf-service i386 0.49.0-4+b1 [35.1 kB] Fetched 35.1 kB in 0s (3321 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpuqbrnc3p/dconf-service_0.49.0-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libbrotli1 i386 1.2.0-3 [307 kB] Fetched 307 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkn2ammqi/libbrotli1_1.2.0-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dconf-gsettings-backend i386 0.49.0-4+b1 [30.9 kB] Fetched 30.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprpxvd7ft/dconf-gsettings-backend_0.49.0-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwxgtk-gl3.2-1t64 i386 3.2.9+dfsg-1+b1 [88.9 kB] Fetched 88.9 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr16sd24h/libwxgtk-gl3.2-1t64_3.2.9+dfsg-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 ucf all 3.0056 [47.1 kB] Fetched 47.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptcj211mb/ucf_3.0056_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-context1.90.0 i386 1.90.0-6 [223 kB] Fetched 223 kB in 0s (21.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1b85z3j2/libboost-context1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 girepository-tools i386 2.88.2-1 [142 kB] Fetched 142 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2evxq32n/girepository-tools_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libapparmor1 i386 4.1.7-4 [37.3 kB] Fetched 37.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpkifddtf8/libapparmor1_4.1.7-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 preview-latex-style all 13.2-1.1 [350 kB] Fetched 350 kB in 0s (33.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpehaor82w/preview-latex-style_13.2-1.1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libubsan1 i386 16.1.0-2 [1107 kB] Fetched 1107 kB in 0s (91.7 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptuf_p5g6/libubsan1_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-filesystem-dev i386 1.90.0.2 [2892 B] Fetched 2892 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfqlsx4rw/libboost-filesystem-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libogg0 i386 1.3.6-2+b1 [24.7 kB] Fetched 24.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp3q4_4koe/libogg0_1.3.6-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-pkg-resources all 78.1.1-0.1 [224 kB] Fetched 224 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqiywnfgi/python3-pkg-resources_78.1.1-0.1_all.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libasound2t64 i386 1.2.16-1 [423 kB] Fetched 423 kB in 0s (34.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmprqutqr3k/libasound2t64_1.2.16-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgfortran5 i386 16.1.0-2 [753 kB] Fetched 753 kB in 0s (68.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9okcqnud/libgfortran5_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-numpy1.90-dev i386 1.90.0-6 [241 kB] Fetched 241 kB in 0s (21.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpb1jkug8m/libboost-numpy1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libhwloc-dev i386 2.14.0-2 [278 kB] Fetched 278 kB in 0s (24.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfp2s78bs/libhwloc-dev_2.14.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gcc-15-base i386 15.3.0-1 [37.4 kB] Fetched 37.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphphqap4u/gcc-15-base_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgdk-pixbuf-2.0-0 i386 2.44.6+dfsg-2 [99.5 kB] Fetched 99.5 kB in 0s (9595 kB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmph0r7z730/libgdk-pixbuf-2.0-0_2.44.6+dfsg-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 fonts-lmodern all 2.005-2 [4533 kB] Fetched 4533 kB in 0s (128 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv6bt1y03/fonts-lmodern_2.005-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-log1.90.0 i386 1.90.0-6 [727 kB] Fetched 727 kB in 0s (51.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpvw6xizva/libboost-log1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-math1.90-dev i386 1.90.0-6 [480 kB] Fetched 480 kB in 0s (39.0 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpxjfd368o/libboost-math1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-python1.90-dev i386 1.90.0-6 [356 kB] Fetched 356 kB in 0s (29.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpsfs9zvss/libboost-python1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libfontconfig-dev i386 2.17.1-5 [169 kB] Fetched 169 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfd_s7hx6/libfontconfig-dev_2.17.1-5_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-date-time-dev i386 1.90.0.2 [2860 B] Fetched 2860 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0kr7huq5/libboost-date-time-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libde265-0 i386 1.0.18-1 [190 kB] Fetched 190 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpfjcgzxbo/libde265-0_1.0.18-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-coroutine1.90-dev i386 1.90.0-6 [228 kB] Fetched 228 kB in 0s (19.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp96lv2tc5/libboost-coroutine1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpython3.14-stdlib i386 3.14.6-1 [2291 kB] Fetched 2291 kB in 0s (143 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpyje_tryt/libpython3.14-stdlib_3.14.6-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 cpp-15 i386 15.3.0-1 [1276 B] Fetched 1276 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmporhfsrn7/cpp-15_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-log-dev i386 1.90.0.2 [3064 B] Fetched 3064 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2k7mga88/libboost-log-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglvnd0 i386 1.7.0-3+b1 [45.6 kB] Fetched 45.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpoo26stsr/libglvnd0_1.7.0-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libaudit1 i386 1:4.1.2-1+b1 [58.5 kB] Fetched 58.5 kB in 0s (0 B/s) dpkg-name: info: moved 'libaudit1_1%3a4.1.2-1+b1_i386.deb' to '/srv/rebuilderd/tmp/tmpprgin6s6/libaudit1_4.1.2-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 sysvinit-utils i386 3.18-1 [30.2 kB] Fetched 30.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2_m9428b/sysvinit-utils_3.18-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libexpat1-dev i386 2.8.2-1 [186 kB] Fetched 186 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9f5ykv4v/libexpat1-dev_2.8.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-all-dev i386 1.90.0.2 [3212 B] Fetched 3212 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl7oe680x/libboost-all-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglx-mesa0 i386 26.1.2-1 [122 kB] Fetched 122 kB in 0s (11.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp59cg86nx/libglx-mesa0_26.1.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdconf1 i386 0.49.0-4+b1 [44.6 kB] Fetched 44.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp2tscgy2y/libdconf1_0.49.0-4+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libsepol-dev i386 3.10-1 [410 kB] Fetched 410 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl7peg05s/libsepol-dev_3.10-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libstdc++6 i386 16.1.0-2 [858 kB] Fetched 858 kB in 0s (78.4 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp8ytzl4iz/libstdc++6_16.1.0-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libproc2-0 i386 2:4.0.4-9+b2 [64.7 kB] Fetched 64.7 kB in 0s (0 B/s) dpkg-name: info: moved 'libproc2-0_2%3a4.0.4-9+b2_i386.deb' to '/srv/rebuilderd/tmp/tmpsfoi5nl1/libproc2-0_4.0.4-9+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-fiber-dev i386 1.90.0.2 [3284 B] Fetched 3284 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpofoeghf_/libboost-fiber-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libcairo-script-interpreter2 i386 1.18.4-3+b1 [61.8 kB] Fetched 61.8 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpipc0q4ew/libcairo-script-interpreter2_1.18.4-3+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 sensible-utils all 0.0.26 [27.0 kB] Fetched 27.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp0n6s40t9/sensible-utils_0.0.26_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 gtk-update-icon-cache i386 4.22.4+ds-1 [41.4 kB] Fetched 41.4 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmphvi92ebi/gtk-update-icon-cache_4.22.4+ds-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-url-dev i386 1.90.0.2 [2992 B] Fetched 2992 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpm3fid6pe/libboost-url-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libglu1-mesa i386 9.0.2-1.1+b4 [190 kB] Fetched 190 kB in 0s (17.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7ildpark/libglu1-mesa_9.0.2-1.1+b4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxcb-present0 i386 1.17.0-2+b2 [106 kB] Fetched 106 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo42lxs2w/libxcb-present0_1.17.0-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libwxgtk3.2-dev i386 3.2.9+dfsg-1+b1 [83.3 kB] Fetched 83.3 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp28licxdl/libwxgtk3.2-dev_3.2.9+dfsg-1+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdebhelper-perl all 14.2 [77.1 kB] Fetched 77.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf8o3upp4/libdebhelper-perl_14.2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 python3-zipp all 3.23.0-1 [11.0 kB] Fetched 11.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpp6mge0ku/python3-zipp_3.23.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpam-runtime all 1.7.0-6 [245 kB] Fetched 245 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpi1mvmrq7/libpam-runtime_1.7.0-6_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libblkid-dev i386 2.42.2-1 [237 kB] Fetched 237 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp07jgcsod/libblkid-dev_2.42.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libkrb5-3 i386 1.22.1-3 [357 kB] Fetched 357 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6ecz2bth/libkrb5-3_1.22.1-3_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 cmake i386 4.3.4-1 [17.5 MB] Fetched 17.5 MB in 0s (244 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr3vp014o/cmake_4.3.4-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libngtcp2-16 i386 1.22.1-1 [166 kB] Fetched 166 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpz7zhxk5b/libngtcp2-16_1.22.1-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libssh2-1t64 i386 1.11.1-4 [256 kB] Fetched 256 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpqd223t2o/libssh2-1t64_1.11.1-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtasn1-6 i386 4.21.0-2+b1 [51.1 kB] Fetched 51.1 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp35miwds1/libtasn1-6_4.21.0-2+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpcre2-dev i386 10.46-1+b2 [852 kB] Fetched 852 kB in 0s (74.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp6q8483p0/libpcre2-dev_10.46-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 tar i386 1.35+dfsg-4 [840 kB] Fetched 840 kB in 0s (69.1 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpooun0_vd/tar_1.35+dfsg-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-random-dev i386 1.90.0.2 [2856 B] Fetched 2856 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo8sprm5d/libboost-random-dev_1.90.0.2_i386.deb' Get:1 http://snapshot.debian.org/archive/debian/20260626T203506Z unstable/main i386 libheif1 i386 1.21.2-4 [677 kB] Fetched 677 kB in 0s (62.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp91fwmh7k/libheif1_1.21.2-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 tzdata all 2026b-1 [260 kB] Fetched 260 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcfhllc44/tzdata_2026b-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpng16-16t64 i386 1.6.58-1 [292 kB] Fetched 292 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpnxcu7ewb/libpng16-16t64_1.6.58-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libdbus-1-3 i386 1.16.2-5+b1 [189 kB] Fetched 189 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpv92uje3m/libdbus-1-3_1.16.2-5+b1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-regex1.90-dev i386 1.90.0-6 [340 kB] Fetched 340 kB in 0s (28.5 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpwkj402iq/libboost-regex1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libimagequant0 i386 4.4.1-1+b2 [275 kB] Fetched 275 kB in 0s (24.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpf9bhbkfx/libimagequant0_4.4.1-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgirepository-2.0-0 i386 2.88.2-1 [133 kB] Fetched 133 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpk9l0f32r/libgirepository-2.0-0_2.88.2-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libxapian30 i386 1.4.31-2 [1602 kB] Fetched 1602 kB in 0s (91.3 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp1fph2c62/libxapian30_1.4.31-2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 m4 i386 1.4.21-1 [335 kB] Fetched 335 kB in 0s (32.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpl7sgzr3f/m4_1.4.21-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 g++-15 i386 15.3.0-1 [28.7 kB] Fetched 28.7 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbpyc15kb/g++-15_15.3.0-1_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-atomic1.90.0 i386 1.90.0-6 [227 kB] Fetched 227 kB in 0s (21.6 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpcoucs6z4/libboost-atomic1.90.0_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-type-erasure1.90-dev i386 1.90.0-6 [244 kB] Fetched 244 kB in 0s (21.8 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmparhwsjqk/libboost-type-erasure1.90-dev_1.90.0-6_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libtexlua53-5 i386 2026.20260303.78225+ds-4 [128 kB] Fetched 128 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbuhqvwbg/libtexlua53-5_2026.20260303.78225+ds-4_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libharfbuzz-subset0 i386 12.3.2-2+b2 [599 kB] Fetched 599 kB in 0s (57.2 MB/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpo_3m41dp/libharfbuzz-subset0_12.3.2-2+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libpathplan4 i386 14.1.2-1+b2 [31.0 kB] Fetched 31.0 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmptqzzm607/libpathplan4_14.1.2-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 at-spi2-common all 2.61.0-1 [171 kB] Fetched 171 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp9tkb7yfo/at-spi2-common_2.61.0-1_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 dh-python all 7.20260623 [114 kB] Fetched 114 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpr0gjh7n2/dh-python_7.20260623_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libapache-pom-java all 33-2 [5852 B] Fetched 5852 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp7ns5ojc9/libapache-pom-java_33-2_all.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libgdbm-compat4t64 i386 1.26-1+b2 [52.6 kB] Fetched 52.6 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpt99y8bs_/libgdbm-compat4t64_1.26-1+b2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libboost-tools-dev i386 1.90.0.2 [3036 B] Fetched 3036 B in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmpbn4qptbl/libboost-tools-dev_1.90.0.2_i386.deb' Get:1 http://deb.debian.org/debian unstable/main i386 libjsoncpp26 i386 1.9.7-4 [96.2 kB] Fetched 96.2 kB in 0s (0 B/s) dpkg-name: warning: skipping '/srv/rebuilderd/tmp/tmp_ax15m_c/libjsoncpp26_1.9.7-4_i386.deb' dpkg-buildpackage: info: source package debootsnap-dummy dpkg-buildpackage: info: source version 1.0 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Equivs Dummy Package Generator dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean dh_clean debian/rules binary dh binary dh_update_autotools_config dh_autoreconf create-stamp debian/debhelper-build-stamp dh_prep dh_auto_install --destdir=debian/debootsnap-dummy/ dh_install dh_installdocs dh_installchangelogs dh_perl dh_link dh_strip_nondeterminism dh_compress dh_fixperms dh_missing dh_installdeb dh_gencontrol dh_md5sums dh_builddeb dpkg-deb: building package 'debootsnap-dummy' in '../debootsnap-dummy_1.0_all.deb'. dpkg-genbuildinfo --build=binary -O../debootsnap-dummy_1.0_amd64.buildinfo dpkg-genchanges --build=binary -O../debootsnap-dummy_1.0_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) The package has been created. Attention, the package has been created in the /srv/rebuilderd/tmp/tmpeqp6_miq/cache directory, not in ".." as indicated by the message above! I: automatically chosen mode: unshare I: i386 is different from amd64 but can be executed natively I: using /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp as tempdir I: running --setup-hook directly: /usr/share/mmdebstrap/hooks/maybe-merged-usr/setup00.sh /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp 127.0.0.1 - - [29/Jun/2026 13:22:59] code 404, message File not found 127.0.0.1 - - [29/Jun/2026 13:22:59] "GET /./InRelease HTTP/1.1" 404 - Ign:1 http://localhost:33511 ./ InRelease 127.0.0.1 - - [29/Jun/2026 13:22:59] "GET /./Release HTTP/1.1" 200 - Get:2 http://localhost:33511 ./ Release [462 B] 127.0.0.1 - - [29/Jun/2026 13:22:59] code 404, message File not found 127.0.0.1 - - [29/Jun/2026 13:22:59] "GET /./Release.gpg HTTP/1.1" 404 - Ign:3 http://localhost:33511 ./ Release.gpg 127.0.0.1 - - [29/Jun/2026 13:22:59] "GET /./Packages HTTP/1.1" 200 - Get:4 http://localhost:33511 ./ Packages [904 kB] Fetched 905 kB in 0s (46.4 MB/s) Reading package lists... usr-is-merged found but not real -- not running merged-usr setup hook I: skipping apt-get update because it was already run I: downloading packages with apt... 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./gcc-16-base_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libc-gconv-modules-extra_2.42-17_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libc6_2.42-17_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libgcc-s1_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./mawk_1.3.4.20260302-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./base-files_14.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libtinfo6_6.6%2b20251231-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./debianutils_5.23.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./bash_5.3-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libacl1_2.3.2-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libattr1_2.5.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libgmp10_6.3.0%2bdfsg-5%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libpcre2-8-0_10.46-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libselinux1_3.10-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libzstd1_1.5.7%2bdfsg-3%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./zlib1g_1.3.dfsg%2breally1.3.2-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libssl3t64_3.6.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./openssl-provider-legacy_3.6.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libsystemd0_261-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./coreutils_9.10-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./dash_0.5.12-12_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./diffutils_3.12-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libbz2-1.0_1.0.8-6%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./liblzma5_5.8.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libmd0_1.2.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./tar_1.35%2bdfsg-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./dpkg_1.23.7_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./findutils_4.10.0-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./grep_3.12-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./gzip_1.13-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./hostname_3.25_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./ncurses-bin_6.6%2b20251231-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libcrypt1_4.5.1-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./perl-base_5.40.1-8_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./sed_4.9-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libaudit-common_4.1.2-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libcap-ng0_0.9.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libaudit1_4.1.2-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libdb5.3t64_5.3.28%2bdfsg2-11%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./debconf_1.5.92_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libpam0g_1.7.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libpam-modules-bin_1.7.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libpam-modules_1.7.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libpam-runtime_1.7.0-6_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libblkid1_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libmount1_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libsmartcols1_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libudev1_261-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libuuid1_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./util-linux_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libdebconfclient0_0.283_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./base-passwd_3.6.8_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./init-system-helpers_1.69_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./libc-bin_2.42-17_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./ncurses-base_6.6%2b20251231-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:00] "GET /./sysvinit-utils_3.18-1_i386.deb HTTP/1.1" 200 - I: extracting archives... I: running --extract-hook directly: /usr/share/mmdebstrap/hooks/maybe-merged-usr/extract00.sh /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp 127.0.0.1 - - [29/Jun/2026 13:23:01] code 404, message File not found 127.0.0.1 - - [29/Jun/2026 13:23:01] "GET /./InRelease HTTP/1.1" 404 - Ign:1 http://localhost:33511 ./ InRelease 127.0.0.1 - - [29/Jun/2026 13:23:01] "GET /./Release HTTP/1.1" 304 - Hit:2 http://localhost:33511 ./ Release 127.0.0.1 - - [29/Jun/2026 13:23:01] code 404, message File not found 127.0.0.1 - - [29/Jun/2026 13:23:01] "GET /./Release.gpg HTTP/1.1" 404 - Ign:3 http://localhost:33511 ./ Release.gpg Reading package lists... usr-is-merged found but not real -- not running merged-usr extract hook I: installing essential packages... I: running --essential-hook directly: /usr/share/mmdebstrap/hooks/maybe-merged-usr/essential00.sh /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp usr-is-merged was not installed in a previous hook -- not running merged-usr essential hook I: installing remaining packages inside the chroot... 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libexpat1_2.8.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./poppler-data_0.4.12-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpython3.14-minimal_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./python3.14-minimal_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./python3-minimal_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./media-types_14.0.0_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./netbase_6.5_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./tzdata_2026b-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libffi8_3.5.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libncursesw6_6.6%2b20251231-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./readline-common_8.3-4_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libreadline8t64_8.3-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libsqlite3-0_3.53.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpython3.14-stdlib_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./python3.14_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpython3-stdlib_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./python3_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpython3.13-minimal_3.13.14-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./python3.13-minimal_3.13.14-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./sensible-utils_0.0.26_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libstdc%2b%2b6_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libuchardet0_0.0.8-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./groff-base_1.24.1-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./bsdextrautils_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgdbm6t64_1.26-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpipeline1_1.5.8-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libseccomp2_2.6.0-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./man-db_2.13.1-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libproc2-0_4.0.4-9%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./procps_4.0.4-9%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./bzip2_1.0.8-6%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libmagic-mgc_5.47-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libmagic1t64_5.47-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./file_5.47-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./gettext-base_1.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./perl-modules-5.40_5.40.1-8_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgdbm-compat4t64_1.26-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libperl5.40_5.40.1-8_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./perl_5.40.1-8_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libtext-charwidth-perl_0.04-12_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libtext-wrapi18n-perl_0.06-11_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./ucf_3.0056_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./xz-utils_5.8.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libcap2_2.78-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./bubblewrap_0.11.2-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libbrotli1_1.2.0-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpng16-16t64_1.6.58-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libfreetype6_2.14.3%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libfontenc1_1.1.8-1%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./x11-common_7.7%2b26_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./xfonts-encodings_1.0.4-2.2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./xfonts-utils_7.7%2b7_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./fonts-urw-base35_20200910-9_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./fontconfig-config_2.17.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libfontconfig1_2.17.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpixman-1-0_0.46.4-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxau6_1.0.11-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxdmcp6_1.1.5-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxcb1_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libx11-data_1.8.13-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libx11-6_1.8.13-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxcb-render0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxcb-shm0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxext6_1.3.4-1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxrender1_0.9.12-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libcairo2_1.18.4-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libatomic1_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libglib2.0-0t64_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libcairo-gobject2_1.18.4-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libsharpyuv0_1.5.0-0.1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libde265-0_1.0.18-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libheif-plugin-libde265_1.21.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libdav1d7_1.5.3-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libheif-plugin-dav1d_1.21.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libheif1_1.21.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libhwy1t64_1.3.0-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./liblcms2-2_2.19.1-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libjxl0.11_0.11.2-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./fontconfig_2.17.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libfribidi0_1.0.16-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgraphite2-3_1.3.15-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libharfbuzz0b_12.3.2-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libthai-data_0.1.30-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libdatrie1_0.2.14-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libthai0_0.1.30-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpango-1.0-0_1.57.1-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpangoft2-1.0-0_1.57.1-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libpangocairo-1.0-0_1.57.1-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libxml2-16_2.15.3%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./librsvg2-2_2.62.1%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./glycin-loaders_2.1.5%2bds-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libglycin-2-0_2.1.5%2bds-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./glycin-thumbnailers_2.1.5%2bds-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgdk-pixbuf2.0-common_2.44.6%2bdfsg-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./shared-mime-info_2.4-5%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgdk-pixbuf-2.0-0_2.44.6%2bdfsg-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./gtk-update-icon-cache_4.22.4%2bds-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./hicolor-icon-theme_0.18-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./adwaita-icon-theme_50.0-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./at-spi2-common_2.61.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./m4_1.4.21-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./autoconf_2.73-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./autotools-dev_20240727.1%2bnmu1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./automake_1.18.1-4_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./autopoint_1.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libsframe3_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./binutils-common_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libbinutils_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgprofng0_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libctf-nobfd0_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libctf0_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libjansson4_2.15.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./binutils-i686-linux-gnu_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./binutils_2.46.50.20260617-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libc-dev-bin_2.42-17_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./linux-libc-dev_7.0.13-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./rpcsvc-proto_1.4.4-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libc6-dev_2.42-17_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./gcc-15-base_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libisl23_0.27-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libmpfr6_4.2.2-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libmpc3_1.3.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./cpp-15-i686-linux-gnu_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./cpp-15_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./cpp-i686-linux-gnu_15.2.0-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./cpp_15.2.0-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libcc1-0_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgomp1_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libitm1_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libasan8_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libubsan1_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libquadmath0_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./libgcc-15-dev_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:14] "GET /./gcc-15-i686-linux-gnu_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./gcc-15_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./gcc-i686-linux-gnu_15.2.0-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./gcc_15.2.0-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libstdc%2b%2b-15-dev_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./g%2b%2b-15-i686-linux-gnu_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./g%2b%2b-15_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./g%2b%2b-i686-linux-gnu_15.2.0-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./g%2b%2b_15.2.0-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./make_4.4.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdpkg-perl_1.23.7_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./patch_2.8-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dpkg-dev_1.23.7_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./build-essential_12.12_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxxhash0_0.8.3-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./liblz4-1_1.10.0-10_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libnettle8t64_3.10.2-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libarchive13t64_3.8.7-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libnghttp3-9_1.15.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libngtcp2-16_1.22.1-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libkrb5support0_1.22.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libcom-err2_1.47.4-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libk5crypto3_1.22.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libkeyutils1_1.6.3-6%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libkrb5-3_1.22.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libgssapi-krb5-2_1.22.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libunistring5_1.4.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libidn2-0_2.3.8-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsasl2-modules-db_2.1.28%2bdfsg1-11_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsasl2-2_2.1.28%2bdfsg1-11_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libldap2_2.6.13%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libnghttp2-14_1.69.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libngtcp2-crypto-ossl0_1.22.1-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libpsl5t64_0.22.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libssh2-1t64_1.11.1-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libcurl4t64_8.21.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libjsoncpp26_1.9.7-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./librhash1_1.4.6-1.1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libuv1t64_1.52.1-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./cmake_4.3.4-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdbus-1-3_1.16.2-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dbus-bin_1.16.2-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dbus-session-bus-common_1.16.2-5_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./systemd-standalone-tmpfiles_261.1-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libapparmor1_4.1.7-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dbus-daemon_1.16.2-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dbus-x11_1.16.2-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdconf1_0.49.0-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dconf-service_0.49.0-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dconf-gsettings-backend_0.49.0-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdebhelper-perl_14.2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libtool_2.5.4-11_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dh-autoreconf_22_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libarchive-zip-perl_1.68-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libfile-stripnondeterminism-perl_1.15.1-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dh-strip-nondeterminism_1.15.1-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libelf1t64_0.195-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./dwz_0.16-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./gettext_1.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./intltool-debian_0.35.0%2b20060710.6_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./po-debconf_1.0.22_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./debhelper_14.2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libpython3.13-stdlib_3.13.14-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./python3.13_3.13.14-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./python3-all_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libcdt6_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libhogweed6t64_3.10.2-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-serialization1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libgfortran5_16.1.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libhwloc15_2.14.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libmpich12_5.0.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-mpi1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-graph-parallel1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libglvnd0_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdrm-common_2.4.134-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdrm2_2.4.134-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdrm-amdgpu1_2.4.134-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libpciaccess0_0.17-3%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdrm-intel1_2.4.134-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libbsd0_0.12.2-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libedit2_3.1-20260512-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libz3-4_4.13.3-1.1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libllvm21_21.1.8-7%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsensors-config_3.6.2-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsensors5_3.6.2-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libx11-xcb1_1.8.13-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcb-dri3-0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcb-present0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcb-randr0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcb-sync1_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcb-xfixes0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxshmfence1_1.3.3-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./mesa-libgallium_26.1.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libgbm1_26.1.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libvulkan1_1.4.341.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libgl1-mesa-dri_26.1.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcb-glx0_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxxf86vm1_1.1.4-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libglx-mesa0_26.1.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libglx0_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libgl1_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./hwloc-nox_2.14.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./mpich_5.0.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libicu78_78.3-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-random1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-random1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libasound2-data_1.2.16-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libasound2t64_1.2.16-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libwayland-client0_1.25.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libdecor-0-0_0.2.5-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libasyncns0_0.8-8_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libogg0_1.3.6-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libflac14_1.5.0%2bds-5%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libmpg123-0t64_1.33.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libmp3lame0_3.101%7esvn6531%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libopus0_1.6.1-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libvorbis0a_1.3.7-3%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libvorbisenc2_1.3.7-3%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsndfile1_1.2.2-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libpulse0_17.0%2bdfsg1-2.1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libwayland-cursor0_1.25.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libwayland-egl1_1.25.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxfixes3_6.0.0-2%2bb5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxcursor1_1.2.3-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxi6_1.8.2-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./xkb-data_2.47-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxkbcommon0_1.13.1-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxrandr2_1.5.4-1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxss1_1.2.3-1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libxtst6_1.2.5-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsdl3-0_3.4.10%2bds-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libsdl2-2.0-0_2.32.70%2bds-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-atomic1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-atomic1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-chrono1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-chrono1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-container1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-container1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-date-time1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-serialization1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:15] "GET /./libboost-date-time1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-exception1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-thread1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-thread1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-context1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-context1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-filesystem1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-filesystem1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-process1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-process1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpaper2_2.2.5-0.4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpaper-utils_2.2.5-0.4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-graph1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-regex1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-regex1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-test1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-test1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-graph1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgfortran-15-dev_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./gfortran-15-i686-linux-gnu_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./gfortran-15_15.3.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libnuma1_2.0.19-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libnuma-dev_2.0.19-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libltdl7_2.5.4-11_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libltdl-dev_2.5.4-11_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libhwloc-dev_2.14.0-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libmpich-dev_5.0.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./mpi-default-dev_1.20_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-mpi1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-python1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./mpi-default-bin_1.20_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-mpi-python1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-mpi-python1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-mpi-python-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpython3.14_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxcomposite1_0.4.6-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpixman-1-dev_0.46.4-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-charconv1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-iostreams1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libmaeparser1_1.3.3-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpcre2-16-0_10.46-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libopengl0_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./librav1e0.8_0.8.1-10_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libffi-dev_3.5.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./uuid-dev_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libblkid-dev_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libsepol2_3.10-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libsepol-dev_3.10-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpcre2-32-0_10.46-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpcre2-posix3_10.46-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpcre2-dev_10.46-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libselinux-dev_3.10-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libmount-dev_2.42.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libsysprof-capture-4-dev_50.0-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpkgconf7_2.5.1-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./pkgconf-bin_2.5.1-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./pkgconf_2.5.1-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./zlib1g-dev_1.3.dfsg%2breally1.3.2-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgio-2.0-dev_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxinerama1_1.1.4-3%2bb5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-iostreams1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-json1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-json1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-json-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-more-itertools_10.8.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libmpfi0_1.5.4%2bds-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libp11-kit0_0.26.2-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgs-common_10.07.1%7edfsg-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgs10-common_10.07.1%7edfsg-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libavahi-common-data_0.8-18_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libavahi-common3_0.8-18_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libavahi-client3_0.8-18_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libtasn1-6_4.21.0-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgnutls30t64_3.8.13-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libcups2t64_2.4.18-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libidn12_1.44-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libijs-0.35_0.35-16%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libjbig2dec0_0.20-1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libjpeg62-turbo_3.1.3-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libopenjp2-7_2.5.4-1.1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libdeflate0_1.25-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libjbig0_2.1-6.1%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./liblerc4_4.1.0%2bds-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libwebp7_1.5.0-0.1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libtiff6_4.7.1-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libice6_1.1.1-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libsm6_1.2.6-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxt6t64_1.2.1-1.3%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgs10_10.07.1%7edfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libnotify4_0.8.8-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libbrotli-dev_1.2.0-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-regex-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-graph-parallel1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libcgraph8_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgvpr2_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-wave1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-wave1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-wave-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-timer1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-timer1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-graph-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-typing-extensions_4.15.0-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-typeguard_4.4.4-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-inflect_7.5.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libatk1.0-0t64_2.61.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./xorg-sgml-doctools_1.12.1-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./x11proto-dev_2025.1-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxau-dev_1.0.11-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-packaging_26.2-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libfmt10_10.1.1%2bds1-4%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-iostreams-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-log1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-log1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libfontbox-java_1.8.16-5_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./tex-common_6.20_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libkpathsea6_2026.20260303.78225%2bds-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libptexenc1_2026.20260303.78225%2bds-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libsynctex2_2026.20260303.78225%2bds-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libtexlua53-5_2026.20260303.78225%2bds-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./t1utils_1.41-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libharfbuzz-subset0_12.3.2-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpotrace0_1.16-2%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libteckit0_2.5.13%2bds-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxmu6_1.1.3-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxpm4_3.5.19-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxaw7_1.0.16-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./texlive-binaries_2026.20260303.78225%2bds-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./xdg-utils_1.2.1-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./texlive-base_2026.20260527-3_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./fonts-lmodern_2.005-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./texlive-latex-base_2026.20260527-3_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./texlive-latex-recommended_2026.20260527-3_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./texlive-pictures_2026.20260527-3_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libaom3_3.13.1-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libabsl20260107_20260107.0-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgav1-2_0.20.0-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-url1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-charconv1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-coroutine1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-mpi-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libepoxy0_1.5.10-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-container-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libexpat1-dev_2.8.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpython3.14-dev_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpython3-dev_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libinchi1.07_1.07.3%2bdfsg-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-program-options1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-program-options1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxres1_1.2.1-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-stacktrace1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-stacktrace1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-locale1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-locale1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-jaraco.context_6.0.1-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-chrono-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./ghostscript_10.07.1%7edfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3.14-dev_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libjs-sphinxdoc_9.1.0-4_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./python3-dev_3.14.6-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-type-erasure1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-stacktrace-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxdot4_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libcolord2_1.4.8-3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxdmcp-dev_1.1.5-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxcb1-dev_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libspdlog1.15_1.15.3%2bds-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-python1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-python-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./xtrans-dev_1.6.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libx11-dev_1.8.13-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxcb-render0-dev_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libapache-pom-java_33-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libcommons-parent-java_56-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libcommons-logging-java_1.3.0-2_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-program-options-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libxdamage1_1.1.7-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-atomic-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpathplan4_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgvc7_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libsvtav1enc4_4.1.0%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libyuv0_0.0.1922.20260106-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libavif16_1.4.1-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libimagequant0_4.4.1-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgd3_2.3.3-13%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgvplugin-gd8_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgvplugin-pango8_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./graphviz_14.1.2-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libclang-cpp21_21.1.8-7%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libbz2-dev_1.0.8-6%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libpng-dev_1.6.58-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libfreetype-dev_2.14.3%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./native-architecture_0.2.6_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgirepository-2.0-0_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./girepository-tools_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libglib2.0-data_2.88.2-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libglib2.0-bin_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libgio-2.0-dev-bin_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libglib2.0-dev-bin_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libglib2.0-dev_2.88.2-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libwxbase3.2-1t64_3.2.9%2bdfsg-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./wx-common_3.2.9%2bdfsg-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-nowide1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-nowide1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-nowide-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:16] "GET /./libboost-numpy1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-numpy1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-numpy-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-thread-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./liblzo2-2_2.10-3%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libclang1-21_21.1.8-7%2bb3_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libxapian30_1.4.31-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./doxygen_1.15.0%2bds1-1.1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libatspi2.0-0t64_2.61.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libatk-bridge2.0-0t64_2.61.0-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libcloudproviders0_0.4.0-2%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libgtk-3-common_3.24.52-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libgtk-3-0t64_3.24.52-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libwxgtk3.2-1t64_3.2.9%2bdfsg-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libpdfbox-java_1.8.16-5_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./preview-latex-style_13.2-1.1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./texlive-latex-extra_2026.20260527-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./python3-autocommand_2.2.2-4_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./python3-jaraco.functools_4.1.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./python3-pkg-resources_78.1.1-0.1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./python3-jaraco.text_4.0.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./python3-zipp_3.23.0-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./python3-setuptools_78.1.1-0.1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libxrender-dev_0.9.12-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./swig_4.4.1-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libglx-dev_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libgl-dev_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libxcb-shm0-dev_1.17.0-2%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libmaeparser-dev_1.3.3-4%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-serialization-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-fiber1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-fiber1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libglu1-mesa_9.0.2-1.1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libopengl-dev_1.7.0-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libglu1-mesa-dev_9.0.2-1.1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-math1.90.0_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-math1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-math-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-context-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./wx3.2-headers_3.2.9%2bdfsg-1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-locale-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-exception-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libeigen3-dev_5.0.1-1%7eexp1_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./liblzma-dev_5.8.3-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libxml2-dev_2.15.3%2bdfsg-1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost1.90-tools-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libice-dev_1.1.1-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libsm-dev_1.2.6-1%2bb2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-type-erasure1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-type-erasure-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libcairo-script-interpreter2_1.18.4-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libfontconfig-dev_2.17.1-5_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libxext-dev_1.3.4-1%2bb4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libcairo2-dev_1.18.4-3%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-test-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libcrypt-dev_4.5.1-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libperl-dev_5.40.1-8_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libinchi-dev_1.07.3%2bdfsg-2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libcoordgen3_3.0.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libcoordgen-dev_3.0.2-4_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-coroutine1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-coroutine-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-graph-parallel-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-process-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-url1.90-dev_1.90.0-6_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-timer-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./rapidjson-dev_1.1.0%2bdfsg2-7.6_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libwxgtk-gl3.2-1t64_3.2.9%2bdfsg-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-filesystem-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-date-time-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-log-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-tools-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-fiber-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-random-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-url-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libboost-all-dev_1.90.0.2_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./libwxgtk3.2-dev_3.2.9%2bdfsg-1%2bb1_i386.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./dh-python_7.20260623_all.deb HTTP/1.1" 200 - 127.0.0.1 - - [29/Jun/2026 13:23:17] "GET /./debootsnap-dummy_1.0_all.deb HTTP/1.1" 200 - I: running --customize-hook directly: /srv/rebuilderd/tmp/tmpeqp6_miq/apt_install.sh /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp Reading package lists... Building dependency tree... Reading state information... python3-all is already the newest version (3.14.6-1). python3-all set to manually installed. libcdt6 is already the newest version (14.1.2-1+b2). libcdt6 set to manually installed. ncurses-bin is already the newest version (6.6+20251231-1+b1). libpython3.13-stdlib is already the newest version (3.13.14-1). libpython3.13-stdlib set to manually installed. libhogweed6t64 is already the newest version (3.10.2-1+b1). libhogweed6t64 set to manually installed. libboost-graph-parallel1.90.0 is already the newest version (1.90.0-6). libboost-graph-parallel1.90.0 set to manually installed. debhelper is already the newest version (14.2). debhelper set to manually installed. libgl1 is already the newest version (1.7.0-3+b1). libgl1 set to manually installed. libquadmath0 is already the newest version (16.1.0-2). libquadmath0 set to manually installed. mpich is already the newest version (5.0.1-5). mpich set to manually installed. libicu78 is already the newest version (78.3-2). libicu78 set to manually installed. libitm1 is already the newest version (16.1.0-2). libitm1 set to manually installed. build-essential is already the newest version (12.12). build-essential set to manually installed. libx11-xcb1 is already the newest version (2:1.8.13-1). libx11-xcb1 set to manually installed. libsharpyuv0 is already the newest version (1.5.0-0.1+b2). libsharpyuv0 set to manually installed. libboost-random1.90-dev is already the newest version (1.90.0-6). libboost-random1.90-dev set to manually installed. gcc-15 is already the newest version (15.3.0-1). gcc-15 set to manually installed. libsdl2-2.0-0 is already the newest version (2.32.70+ds-1). libsdl2-2.0-0 set to manually installed. libboost-process1.90-dev is already the newest version (1.90.0-6). libboost-process1.90-dev set to manually installed. libpaper-utils is already the newest version (2.2.5-0.4). libpaper-utils set to manually installed. libxcb-glx0 is already the newest version (1.17.0-2+b2). libxcb-glx0 set to manually installed. libxcb-sync1 is already the newest version (1.17.0-2+b2). libxcb-sync1 set to manually installed. libxrender1 is already the newest version (1:0.9.12-1+b2). libxrender1 set to manually installed. libngtcp2-crypto-ossl0 is already the newest version (1.22.1-1). libngtcp2-crypto-ossl0 set to manually installed. libboost-mpi-python-dev is already the newest version (1.90.0.2). libboost-mpi-python-dev set to manually installed. libpython3.14 is already the newest version (3.14.6-1). libpython3.14 set to manually installed. libxcomposite1 is already the newest version (1:0.4.6-1+b2). libxcomposite1 set to manually installed. hwloc-nox is already the newest version (2.14.0-2). hwloc-nox set to manually installed. libhwy1t64 is already the newest version (1.3.0-2+b1). libhwy1t64 set to manually installed. libpixman-1-dev is already the newest version (0.46.4-1+b2). libpixman-1-dev set to manually installed. libboost-charconv1.90.0 is already the newest version (1.90.0-6). libboost-charconv1.90.0 set to manually installed. libunistring5 is already the newest version (1.4.2-1). libunistring5 set to manually installed. libpulse0 is already the newest version (17.0+dfsg1-2.1+b1). libpulse0 set to manually installed. libsasl2-2 is already the newest version (2.1.28+dfsg1-11). libsasl2-2 set to manually installed. cpp-15-i686-linux-gnu is already the newest version (15.3.0-1). cpp-15-i686-linux-gnu set to manually installed. libmaeparser1 is already the newest version (1.3.3-4+b1). libmaeparser1 set to manually installed. gcc-i686-linux-gnu is already the newest version (4:15.2.0-5+b1). gcc-i686-linux-gnu set to manually installed. libmpg123-0t64 is already the newest version (1.33.6-1). libmpg123-0t64 set to manually installed. libgl1-mesa-dri is already the newest version (26.1.2-1). libgl1-mesa-dri set to manually installed. libmagic1t64 is already the newest version (1:5.47-4). libmagic1t64 set to manually installed. libcairo-gobject2 is already the newest version (1.18.4-3+b1). libcairo-gobject2 set to manually installed. libpcre2-16-0 is already the newest version (10.46-1+b2). libpcre2-16-0 set to manually installed. automake is already the newest version (1:1.18.1-4). automake set to manually installed. libopengl0 is already the newest version (1.7.0-3+b1). libopengl0 set to manually installed. librav1e0.8 is already the newest version (0.8.1-10). librav1e0.8 set to manually installed. autotools-dev is already the newest version (20240727.1+nmu1). autotools-dev set to manually installed. libgio-2.0-dev is already the newest version (2.88.2-1). libgio-2.0-dev set to manually installed. libboost-atomic1.90-dev is already the newest version (1.90.0-6). libboost-atomic1.90-dev set to manually installed. libboost-test1.90.0 is already the newest version (1.90.0-6). libboost-test1.90.0 set to manually installed. libkeyutils1 is already the newest version (1.6.3-6+b2). libkeyutils1 set to manually installed. gcc is already the newest version (4:15.2.0-5+b1). gcc set to manually installed. libmd0 is already the newest version (1.2.0-2). libgraphite2-3 is already the newest version (1.3.15-2). libgraphite2-3 set to manually installed. libpcre2-posix3 is already the newest version (10.46-1+b2). libpcre2-posix3 set to manually installed. libperl5.40 is already the newest version (5.40.1-8). libperl5.40 set to manually installed. libxinerama1 is already the newest version (2:1.1.4-3+b5). libxinerama1 set to manually installed. libboost-iostreams1.90-dev is already the newest version (1.90.0-6). libboost-iostreams1.90-dev set to manually installed. libboost-json-dev is already the newest version (1.90.0.2). libboost-json-dev set to manually installed. python3-more-itertools is already the newest version (10.8.0-1). python3-more-itertools set to manually installed. autopoint is already the newest version (1.0-1). autopoint set to manually installed. libmpfi0 is already the newest version (1.5.4+ds-5). libmpfi0 set to manually installed. libp11-kit0 is already the newest version (0.26.2-3). libp11-kit0 set to manually installed. libgs10 is already the newest version (10.07.1~dfsg-1). libgs10 set to manually installed. libexpat1 is already the newest version (2.8.2-1). libexpat1 set to manually installed. libboost-date-time1.90-dev is already the newest version (1.90.0-6). libboost-date-time1.90-dev set to manually installed. libnotify4 is already the newest version (0.8.8-1+b1). libnotify4 set to manually installed. libbrotli-dev is already the newest version (1.2.0-3). libbrotli-dev set to manually installed. libboost-serialization1.90-dev is already the newest version (1.90.0-6). libboost-serialization1.90-dev set to manually installed. libncursesw6 is already the newest version (6.6+20251231-1+b1). libncursesw6 set to manually installed. libheif-plugin-libde265 is already the newest version (1.21.2-4). libheif-plugin-libde265 set to manually installed. libboost-regex-dev is already the newest version (1.90.0.2). libboost-regex-dev set to manually installed. libboost-graph-parallel1.90-dev is already the newest version (1.90.0-6). libboost-graph-parallel1.90-dev set to manually installed. libgvpr2 is already the newest version (14.1.2-1+b2). libgvpr2 set to manually installed. libxcb1 is already the newest version (1.17.0-2+b2). libxcb1 set to manually installed. libuv1t64 is already the newest version (1.52.1-4). libuv1t64 set to manually installed. libc-bin is already the newest version (2.42-17). libmount-dev is already the newest version (2.42.2-1). libmount-dev set to manually installed. dpkg is already the newest version (1.23.7). xz-utils is already the newest version (5.8.3-1). xz-utils set to manually installed. gcc-16-base is already the newest version (16.1.0-2). libglx0 is already the newest version (1.7.0-3+b1). libglx0 set to manually installed. libboost-thread1.90-dev is already the newest version (1.90.0-6). libboost-thread1.90-dev set to manually installed. libboost-wave-dev is already the newest version (1.90.0.2). libboost-wave-dev set to manually installed. libboost-timer1.90-dev is already the newest version (1.90.0-6). libboost-timer1.90-dev set to manually installed. libboost-graph-dev is already the newest version (1.90.0.2). libboost-graph-dev set to manually installed. python3-minimal is already the newest version (3.14.6-1). python3-minimal set to manually installed. python3-inflect is already the newest version (7.5.0-1). python3-inflect set to manually installed. systemd-standalone-tmpfiles is already the newest version (261.1-2). systemd-standalone-tmpfiles set to manually installed. libatk1.0-0t64 is already the newest version (2.61.0-1). libatk1.0-0t64 set to manually installed. libvorbis0a is already the newest version (1.3.7-3+b2). libvorbis0a set to manually installed. libpciaccess0 is already the newest version (0.17-3+b4). libpciaccess0 set to manually installed. libxrandr2 is already the newest version (2:1.5.4-1+b4). libxrandr2 set to manually installed. libxss1 is already the newest version (1:1.2.3-1+b4). libxss1 set to manually installed. libthai-data is already the newest version (0.1.30-1). libthai-data set to manually installed. libxau-dev is already the newest version (1:1.0.11-1+b2). libxau-dev set to manually installed. dbus-daemon is already the newest version (1.16.2-5+b1). dbus-daemon set to manually installed. libsepol2 is already the newest version (3.10-1). libsepol2 set to manually installed. libavahi-common-data is already the newest version (0.8-18). libavahi-common-data set to manually installed. gettext is already the newest version (1.0-1). gettext set to manually installed. libdatrie1 is already the newest version (0.2.14-1+b1). libdatrie1 set to manually installed. dwz is already the newest version (0.16-4). dwz set to manually installed. libmpc3 is already the newest version (1.3.1-3). libmpc3 set to manually installed. libboost-context1.90-dev is already the newest version (1.90.0-6). libboost-context1.90-dev set to manually installed. perl is already the newest version (5.40.1-8). perl set to manually installed. libdrm-intel1 is already the newest version (2.4.134-2). libdrm-intel1 set to manually installed. libsensors-config is already the newest version (1:3.6.2-2). libsensors-config set to manually installed. libgdbm6t64 is already the newest version (1.26-1+b2). libgdbm6t64 set to manually installed. libltdl-dev is already the newest version (2.5.4-11). libltdl-dev set to manually installed. libpsl5t64 is already the newest version (0.22.0-1). libpsl5t64 set to manually installed. python3-packaging is already the newest version (26.2-2). python3-packaging set to manually installed. libgs10-common is already the newest version (10.07.1~dfsg-1). libgs10-common set to manually installed. librsvg2-2 is already the newest version (2.62.1+dfsg-1). librsvg2-2 set to manually installed. libboost-process1.90.0 is already the newest version (1.90.0-6). libboost-process1.90.0 set to manually installed. libffi8 is already the newest version (3.5.2-4). libffi8 set to manually installed. libboost-regex1.90.0 is already the newest version (1.90.0-6). libboost-regex1.90.0 set to manually installed. fontconfig-config is already the newest version (2.17.1-5). fontconfig-config set to manually installed. libelf1t64 is already the newest version (0.195-1). libelf1t64 set to manually installed. libfmt10 is already the newest version (10.1.1+ds1-4+b2). libfmt10 set to manually installed. dbus-session-bus-common is already the newest version (1.16.2-5). dbus-session-bus-common set to manually installed. libboost-iostreams-dev is already the newest version (1.90.0.2). libboost-iostreams-dev set to manually installed. libboost-log1.90-dev is already the newest version (1.90.0-6). libboost-log1.90-dev set to manually installed. libboost-chrono1.90-dev is already the newest version (1.90.0-6). libboost-chrono1.90-dev set to manually installed. libfontbox-java is already the newest version (1:1.8.16-5). libfontbox-java set to manually installed. texlive-pictures is already the newest version (2026.20260527-3). texlive-pictures set to manually installed. libdrm-amdgpu1 is already the newest version (2.4.134-2). libdrm-amdgpu1 set to manually installed. libhwloc15 is already the newest version (2.14.0-2). libhwloc15 set to manually installed. libudev1 is already the newest version (261-1). libptexenc1 is already the newest version (2026.20260303.78225+ds-4). libptexenc1 set to manually installed. libaom3 is already the newest version (3.13.1-2+b1). libaom3 set to manually installed. libctf-nobfd0 is already the newest version (2.46.50.20260617-1). libctf-nobfd0 set to manually installed. libcups2t64 is already the newest version (2.4.18-1). libcups2t64 set to manually installed. libgav1-2 is already the newest version (0.20.0-2+b1). libgav1-2 set to manually installed. libbinutils is already the newest version (2.46.50.20260617-1). libbinutils set to manually installed. libsframe3 is already the newest version (2.46.50.20260617-1). libsframe3 set to manually installed. libboost-url1.90.0 is already the newest version (1.90.0-6). libboost-url1.90.0 set to manually installed. libpangocairo-1.0-0 is already the newest version (1.57.1-2). libpangocairo-1.0-0 set to manually installed. gcc-15-i686-linux-gnu is already the newest version (15.3.0-1). gcc-15-i686-linux-gnu set to manually installed. libdecor-0-0 is already the newest version (0.2.5-1+b1). libdecor-0-0 set to manually installed. libboost-mpi-python1.90.0 is already the newest version (1.90.0-6). libboost-mpi-python1.90.0 set to manually installed. libboost-charconv1.90-dev is already the newest version (1.90.0-6). libboost-charconv1.90-dev set to manually installed. libxaw7 is already the newest version (2:1.0.16-1+b2). libxaw7 set to manually installed. libfontconfig1 is already the newest version (2.17.1-5). libfontconfig1 set to manually installed. python3.14-minimal is already the newest version (3.14.6-1). python3.14-minimal set to manually installed. libmp3lame0 is already the newest version (3.101~svn6531+dfsg-1). libmp3lame0 set to manually installed. libboost-coroutine1.90.0 is already the newest version (1.90.0-6). libboost-coroutine1.90.0 set to manually installed. libboost-mpi-dev is already the newest version (1.90.0.2). libboost-mpi-dev set to manually installed. dbus-x11 is already the newest version (1.16.2-5+b1). dbus-x11 set to manually installed. libsynctex2 is already the newest version (2026.20260303.78225+ds-4). libsynctex2 set to manually installed. bubblewrap is already the newest version (0.11.2-2). bubblewrap set to manually installed. libboost-mpi1.90.0 is already the newest version (1.90.0-6). libboost-mpi1.90.0 set to manually installed. g++-15-i686-linux-gnu is already the newest version (15.3.0-1). g++-15-i686-linux-gnu set to manually installed. libepoxy0 is already the newest version (1.5.10-2+b2). libepoxy0 set to manually installed. libglib2.0-0t64 is already the newest version (2.88.2-1). libglib2.0-0t64 set to manually installed. libxkbcommon0 is already the newest version (1.13.1-1). libxkbcommon0 set to manually installed. libcc1-0 is already the newest version (16.1.0-2). libcc1-0 set to manually installed. libglycin-2-0 is already the newest version (2.1.5+ds-2). libglycin-2-0 set to manually installed. libwayland-client0 is already the newest version (1.25.0-2). libwayland-client0 set to manually installed. libgprofng0 is already the newest version (2.46.50.20260617-1). libgprofng0 set to manually installed. libsensors5 is already the newest version (1:3.6.2-2+b2). libsensors5 set to manually installed. netbase is already the newest version (6.5). netbase set to manually installed. libzstd1 is already the newest version (1.5.7+dfsg-3+b2). cpp is already the newest version (4:15.2.0-5+b1). cpp set to manually installed. libboost-json1.90.0 is already the newest version (1.90.0-6). libboost-json1.90.0 set to manually installed. libdb5.3t64 is already the newest version (5.3.28+dfsg2-11+b1). libpam-modules is already the newest version (1.7.0-6). libjpeg62-turbo is already the newest version (1:3.1.3-4). libjpeg62-turbo set to manually installed. ncurses-base is already the newest version (6.6+20251231-1). libpango-1.0-0 is already the newest version (1.57.1-2). libpango-1.0-0 set to manually installed. libboost-container-dev is already the newest version (1.90.0.2). libboost-container-dev set to manually installed. g++-i686-linux-gnu is already the newest version (4:15.2.0-5+b1). g++-i686-linux-gnu set to manually installed. libpython3-dev is already the newest version (3.14.6-1). libpython3-dev set to manually installed. libinchi1.07 is already the newest version (1.07.3+dfsg-2). libinchi1.07 set to manually installed. diffutils is already the newest version (1:3.12-1). libboost-program-options1.90-dev is already the newest version (1.90.0-6). libboost-program-options1.90-dev set to manually installed. openssl-provider-legacy is already the newest version (3.6.3-1). xfonts-encodings is already the newest version (1:1.0.4-2.2). xfonts-encodings set to manually installed. libwayland-cursor0 is already the newest version (1.25.0-2). libwayland-cursor0 set to manually installed. dash is already the newest version (0.5.12-12). libopus0 is already the newest version (1.6.1-1+b1). libopus0 set to manually installed. libstdc++-15-dev is already the newest version (15.3.0-1). libstdc++-15-dev set to manually installed. libvorbisenc2 is already the newest version (1.3.7-3+b2). libvorbisenc2 set to manually installed. libxext6 is already the newest version (2:1.3.4-1+b4). libxext6 set to manually installed. libxml2-16 is already the newest version (2.15.3+dfsg-1). libxml2-16 set to manually installed. libxres1 is already the newest version (2:1.2.1-2). libxres1 set to manually installed. libboost-stacktrace1.90-dev is already the newest version (1.90.0-6). libboost-stacktrace1.90-dev set to manually installed. libsndfile1 is already the newest version (1.2.2-4+b1). libsndfile1 set to manually installed. libboost-locale1.90-dev is already the newest version (1.90.0-6). libboost-locale1.90-dev set to manually installed. libteckit0 is already the newest version (2.5.13+ds-2). libteckit0 set to manually installed. libxpm4 is already the newest version (1:3.5.19-1). libxpm4 set to manually installed. dbus-bin is already the newest version (1.16.2-5+b1). dbus-bin set to manually installed. python3-jaraco.context is already the newest version (6.0.1-2). python3-jaraco.context set to manually installed. python3-typeguard is already the newest version (4.4.4-2). python3-typeguard set to manually installed. libboost-chrono-dev is already the newest version (1.90.0.2). libboost-chrono-dev set to manually installed. libmpfr6 is already the newest version (4.2.2-3). libmpfr6 set to manually installed. libasan8 is already the newest version (16.1.0-2). libasan8 set to manually installed. libpython3.13-minimal is already the newest version (3.13.14-1). libpython3.13-minimal set to manually installed. libboost-container1.90.0 is already the newest version (1.90.0-6). libboost-container1.90.0 set to manually installed. libpaper2 is already the newest version (2.2.5-0.4). libpaper2 set to manually installed. ghostscript is already the newest version (10.07.1~dfsg-1). ghostscript set to manually installed. libvulkan1 is already the newest version (1.4.341.0-1). libvulkan1 set to manually installed. libasound2-data is already the newest version (1.2.16-1). libasound2-data set to manually installed. texlive-latex-base is already the newest version (2026.20260527-3). texlive-latex-base set to manually installed. python3-dev is already the newest version (3.14.6-1). python3-dev set to manually installed. libedit2 is already the newest version (3.1-20260512-1). libedit2 set to manually installed. libboost-type-erasure1.90.0 is already the newest version (1.90.0-6). libboost-type-erasure1.90.0 set to manually installed. libdav1d7 is already the newest version (1.5.3-1+b2). libdav1d7 set to manually installed. libc-dev-bin is already the newest version (2.42-17). libc-dev-bin set to manually installed. libcurl4t64 is already the newest version (8.21.0-1). libcurl4t64 set to manually installed. coreutils is already the newest version (9.10-1). poppler-data is already the newest version (0.4.12-1). poppler-data set to manually installed. readline-common is already the newest version (8.3-4). readline-common set to manually installed. libboost-thread1.90.0 is already the newest version (1.90.0-6). libboost-thread1.90.0 set to manually installed. libboost-stacktrace-dev is already the newest version (1.90.0.2). libboost-stacktrace-dev set to manually installed. libavahi-common3 is already the newest version (0.8-18). libavahi-common3 set to manually installed. libxdot4 is already the newest version (14.1.2-1+b2). libxdot4 set to manually installed. libcolord2 is already the newest version (1.4.8-3). libcolord2 set to manually installed. libboost-chrono1.90.0 is already the newest version (1.90.0-6). libboost-chrono1.90.0 set to manually installed. x11-common is already the newest version (1:7.7+26). x11-common set to manually installed. libxcb1-dev is already the newest version (1.17.0-2+b2). libxcb1-dev set to manually installed. libgbm1 is already the newest version (26.1.2-1). libgbm1 set to manually installed. libheif-plugin-dav1d is already the newest version (1.21.2-4). libheif-plugin-dav1d set to manually installed. libsqlite3-0 is already the newest version (3.53.3-1). libsqlite3-0 set to manually installed. libspdlog1.15 is already the newest version (1:1.15.3+ds-1+b2). libspdlog1.15 set to manually installed. libboost-python-dev is already the newest version (1.90.0.2). libboost-python-dev set to manually installed. libuchardet0 is already the newest version (0.0.8-2+b2). libuchardet0 set to manually installed. libboost-locale1.90.0 is already the newest version (1.90.0-6). libboost-locale1.90.0 set to manually installed. libwayland-egl1 is already the newest version (1.25.0-2). libwayland-egl1 set to manually installed. libboost-iostreams1.90.0 is already the newest version (1.90.0-6). libboost-iostreams1.90.0 set to manually installed. libboost-python1.90.0 is already the newest version (1.90.0-6). libboost-python1.90.0 set to manually installed. libx11-data is already the newest version (2:1.8.13-1). libx11-data set to manually installed. libx11-dev is already the newest version (2:1.8.13-1). libx11-dev set to manually installed. libboost-filesystem1.90-dev is already the newest version (1.90.0-6). libboost-filesystem1.90-dev set to manually installed. libxcb-render0-dev is already the newest version (1.17.0-2+b2). libxcb-render0-dev set to manually installed. libpangoft2-1.0-0 is already the newest version (1.57.1-2). libpangoft2-1.0-0 set to manually installed. libcommons-logging-java is already the newest version (1.3.0-2). libcommons-logging-java set to manually installed. libtiff6 is already the newest version (4.7.1-3). libtiff6 set to manually installed. libcap2 is already the newest version (1:2.78-1). libcap2 set to manually installed. libxcb-shm0 is already the newest version (1.17.0-2+b2). libxcb-shm0 set to manually installed. libgmp10 is already the newest version (2:6.3.0+dfsg-5+b2). debianutils is already the newest version (5.23.2). libboost-filesystem1.90.0 is already the newest version (1.90.0-6). libboost-filesystem1.90.0 set to manually installed. libjbig0 is already the newest version (2.1-6.1+b3). libjbig0 set to manually installed. libboost-program-options-dev is already the newest version (1.90.0.2). libboost-program-options-dev set to manually installed. libbsd0 is already the newest version (0.12.2-3). libbsd0 set to manually installed. libxdamage1 is already the newest version (1:1.1.7-1+b1). libxdamage1 set to manually installed. libboost-atomic-dev is already the newest version (1.90.0.2). libboost-atomic-dev set to manually installed. libacl1 is already the newest version (2.3.2-3). graphviz is already the newest version (14.1.2-1+b2). graphviz set to manually installed. libpython3.14-dev is already the newest version (3.14.6-1). libpython3.14-dev set to manually installed. libjxl0.11 is already the newest version (0.11.2-5). libjxl0.11 set to manually installed. libclang-cpp21 is already the newest version (1:21.1.8-7+b3). libclang-cpp21 set to manually installed. libboost-date-time1.90.0 is already the newest version (1.90.0-6). libboost-date-time1.90.0 set to manually installed. libdpkg-perl is already the newest version (1.23.7). libdpkg-perl set to manually installed. init-system-helpers is already the newest version (1.69). libfreetype-dev is already the newest version (2.14.3+dfsg-1). libfreetype-dev set to manually installed. libflac14 is already the newest version (1.5.0+ds-5+b1). libflac14 set to manually installed. libboost-program-options1.90.0 is already the newest version (1.90.0-6). libboost-program-options1.90.0 set to manually installed. libglib2.0-dev is already the newest version (2.88.2-1). libglib2.0-dev set to manually installed. wx-common is already the newest version (3.2.9+dfsg-1+b1). wx-common set to manually installed. libldap2 is already the newest version (2.6.13+dfsg-1). libldap2 set to manually installed. libpipeline1 is already the newest version (1.5.8-3). libpipeline1 set to manually installed. liblerc4 is already the newest version (4.1.0+ds-1). liblerc4 set to manually installed. bash is already the newest version (5.3-3). libboost-nowide-dev is already the newest version (1.90.0.2). libboost-nowide-dev set to manually installed. libsm6 is already the newest version (2:1.2.6-1+b2). libsm6 set to manually installed. libfile-stripnondeterminism-perl is already the newest version (1.15.1-1). libfile-stripnondeterminism-perl set to manually installed. libboost-exception1.90-dev is already the newest version (1.90.0-6). libboost-exception1.90-dev set to manually installed. libglib2.0-data is already the newest version (2.88.2-1). libglib2.0-data set to manually installed. libnghttp3-9 is already the newest version (1.15.0-1). libnghttp3-9 set to manually installed. libboost-numpy-dev is already the newest version (1.90.0.2). libboost-numpy-dev set to manually installed. libboost-graph1.90-dev is already the newest version (1.90.0-6). libboost-graph1.90-dev set to manually installed. libfreetype6 is already the newest version (2.14.3+dfsg-1). libfreetype6 set to manually installed. libcgraph8 is already the newest version (14.1.2-1+b2). libcgraph8 set to manually installed. libboost-thread-dev is already the newest version (1.90.0.2). libboost-thread-dev set to manually installed. libblkid1 is already the newest version (2.42.2-1). liblzo2-2 is already the newest version (2.10-3+b2). liblzo2-2 set to manually installed. doxygen is already the newest version (1.15.0+ds1-1.1). doxygen set to manually installed. libwxgtk3.2-1t64 is already the newest version (3.2.9+dfsg-1+b1). libwxgtk3.2-1t64 set to manually installed. libboost-wave1.90-dev is already the newest version (1.90.0-6). libboost-wave1.90-dev set to manually installed. libboost-nowide1.90-dev is already the newest version (1.90.0-6). libboost-nowide1.90-dev set to manually installed. libidn2-0 is already the newest version (2.3.8-5). libidn2-0 set to manually installed. libxfixes3 is already the newest version (1:6.0.0-2+b5). libxfixes3 set to manually installed. gettext-base is already the newest version (1.0-1). gettext-base set to manually installed. tex-common is already the newest version (6.20). tex-common set to manually installed. libmount1 is already the newest version (2.42.2-1). libgd3 is already the newest version (2.3.3-13+b2). libgd3 set to manually installed. libwxbase3.2-1t64 is already the newest version (3.2.9+dfsg-1+b1). libwxbase3.2-1t64 set to manually installed. libdrm2 is already the newest version (2.4.134-2). libdrm2 set to manually installed. texlive-latex-extra is already the newest version (2026.20260527-1). texlive-latex-extra set to manually installed. bsdextrautils is already the newest version (2.42.2-1). bsdextrautils set to manually installed. libijs-0.35 is already the newest version (0.35-16+b2). libijs-0.35 set to manually installed. python3-setuptools is already the newest version (78.1.1-0.1). python3-setuptools set to manually installed. libselinux-dev is already the newest version (3.10-1). libselinux-dev set to manually installed. libpkgconf7 is already the newest version (2.5.1-4). libpkgconf7 set to manually installed. libxrender-dev is already the newest version (1:0.9.12-1+b2). libxrender-dev set to manually installed. swig is already the newest version (4.4.1-2). swig set to manually installed. libxcb-xfixes0 is already the newest version (1.17.0-2+b2). libxcb-xfixes0 set to manually installed. libasyncns0 is already the newest version (0.8-8). libasyncns0 set to manually installed. libxtst6 is already the newest version (2:1.2.5-1+b2). libxtst6 set to manually installed. libcairo2 is already the newest version (1.18.4-3+b1). libcairo2 set to manually installed. libc6 is already the newest version (2.42-17). libdeflate0 is already the newest version (1.25-1). libdeflate0 set to manually installed. libfontenc1 is already the newest version (1:1.1.8-1+b3). libfontenc1 set to manually installed. pkgconf is already the newest version (2.5.1-4). pkgconf set to manually installed. libgio-2.0-dev-bin is already the newest version (2.88.2-1). libgio-2.0-dev-bin set to manually installed. python3-autocommand is already the newest version (2.2.2-4). python3-autocommand set to manually installed. libgl-dev is already the newest version (1.7.0-3+b1). libgl-dev set to manually installed. libgvplugin-pango8 is already the newest version (14.1.2-1+b2). libgvplugin-pango8 set to manually installed. libxshmfence1 is already the newest version (1.3.3-1+b2). libxshmfence1 set to manually installed. hostname is already the newest version (3.25). libpam-modules-bin is already the newest version (1.7.0-6). libxcb-shm0-dev is already the newest version (1.17.0-2+b2). libxcb-shm0-dev set to manually installed. libmaeparser-dev is already the newest version (1.3.3-4+b1). libmaeparser-dev set to manually installed. libglib2.0-bin is already the newest version (2.88.2-1). libglib2.0-bin set to manually installed. libsdl3-0 is already the newest version (3.4.10+ds-1). libsdl3-0 set to manually installed. librhash1 is already the newest version (1.4.6-1.1+b1). librhash1 set to manually installed. libseccomp2 is already the newest version (2.6.0-2+b1). libseccomp2 set to manually installed. zlib1g-dev is already the newest version (1:1.3.dfsg+really1.3.2-3). zlib1g-dev set to manually installed. libreadline8t64 is already the newest version (8.3-4). libreadline8t64 set to manually installed. libice6 is already the newest version (2:1.1.1-1+b2). libice6 set to manually installed. libboost-serialization-dev is already the newest version (1.90.0.2). libboost-serialization-dev set to manually installed. libidn12 is already the newest version (1.44-1). libidn12 set to manually installed. libaudit-common is already the newest version (1:4.1.2-1). libgcc-s1 is already the newest version (16.1.0-2). libarchive-zip-perl is already the newest version (1.68-1). libarchive-zip-perl set to manually installed. native-architecture is already the newest version (0.2.6). native-architecture set to manually installed. libboost-fiber1.90-dev is already the newest version (1.90.0-6). libboost-fiber1.90-dev set to manually installed. python3 is already the newest version (3.14.6-1). python3 set to manually installed. libgs-common is already the newest version (10.07.1~dfsg-1). libgs-common set to manually installed. mesa-libgallium is already the newest version (26.1.2-1). mesa-libgallium set to manually installed. file is already the newest version (1:5.47-4). file set to manually installed. libcap-ng0 is already the newest version (0.9.3-1). findutils is already the newest version (4.10.0-4). pkgconf-bin is already the newest version (2.5.1-4). pkgconf-bin set to manually installed. libboost-timer1.90.0 is already the newest version (1.90.0-6). libboost-timer1.90.0 set to manually installed. libatspi2.0-0t64 is already the newest version (2.61.0-1). libatspi2.0-0t64 set to manually installed. man-db is already the newest version (2.13.1-1). man-db set to manually installed. liblzma5 is already the newest version (5.8.3-1). procps is already the newest version (2:4.0.4-9+b2). procps set to manually installed. libpixman-1-0 is already the newest version (0.46.4-1+b2). libpixman-1-0 set to manually installed. python3-jaraco.functools is already the newest version (4.1.0-1). python3-jaraco.functools set to manually installed. libboost-test1.90-dev is already the newest version (1.90.0-6). libboost-test1.90-dev set to manually installed. libsystemd0 is already the newest version (261-1). libjansson4 is already the newest version (2.15.0-1). libjansson4 set to manually installed. libgtk-3-common is already the newest version (3.24.52-1). libgtk-3-common set to manually installed. xdg-utils is already the newest version (1.2.1-2). xdg-utils set to manually installed. libboost-wave1.90.0 is already the newest version (1.90.0-6). libboost-wave1.90.0 set to manually installed. xfonts-utils is already the newest version (1:7.7+7). xfonts-utils set to manually installed. libtext-charwidth-perl is already the newest version (0.04-12). libtext-charwidth-perl set to manually installed. libglu1-mesa-dev is already the newest version (9.0.2-1.1+b4). libglu1-mesa-dev set to manually installed. libboost-math-dev is already the newest version (1.90.0.2). libboost-math-dev set to manually installed. libdebconfclient0 is already the newest version (0.283). libxcursor1 is already the newest version (1:1.2.3-1+b2). libxcursor1 set to manually installed. libboost-json1.90-dev is already the newest version (1.90.0-6). libboost-json1.90-dev set to manually installed. dh-autoreconf is already the newest version (22). dh-autoreconf set to manually installed. libboost-container1.90-dev is already the newest version (1.90.0-6). libboost-container1.90-dev set to manually installed. libpcre2-32-0 is already the newest version (10.46-1+b2). libpcre2-32-0 set to manually installed. libxau6 is already the newest version (1:1.0.11-1+b2). libxau6 set to manually installed. libxi6 is already the newest version (2:1.8.2-2+b1). libxi6 set to manually installed. texlive-latex-recommended is already the newest version (2026.20260527-3). texlive-latex-recommended set to manually installed. libltdl7 is already the newest version (2.5.4-11). libltdl7 set to manually installed. libnghttp2-14 is already the newest version (1.69.0-1). libnghttp2-14 set to manually installed. libjbig2dec0 is already the newest version (0.20-1+b4). libjbig2dec0 set to manually installed. libatk-bridge2.0-0t64 is already the newest version (2.61.0-1). libatk-bridge2.0-0t64 set to manually installed. libx11-6 is already the newest version (2:1.8.13-1). libx11-6 set to manually installed. libboost-context-dev is already the newest version (1.90.0.2). libboost-context-dev set to manually installed. wx3.2-headers is already the newest version (3.2.9+dfsg-1). wx3.2-headers set to manually installed. libxcb-render0 is already the newest version (1.17.0-2+b2). libxcb-render0 set to manually installed. python3-jaraco.text is already the newest version (4.0.0-1). python3-jaraco.text set to manually installed. libtext-wrapi18n-perl is already the newest version (0.06-11). libtext-wrapi18n-perl set to manually installed. libcommons-parent-java is already the newest version (56-1). libcommons-parent-java set to manually installed. libwebp7 is already the newest version (1.5.0-0.1+b2). libwebp7 set to manually installed. libuuid1 is already the newest version (2.42.2-1). bzip2 is already the newest version (1.0.8-6+b2). bzip2 set to manually installed. libbz2-dev is already the newest version (1.0.8-6+b2). libbz2-dev set to manually installed. libthai0 is already the newest version (0.1.30-1+b1). libthai0 set to manually installed. libisl23 is already the newest version (0.27-2). libisl23 set to manually installed. libdrm-common is already the newest version (2.4.134-2). libdrm-common set to manually installed. fontconfig is already the newest version (2.17.1-5). fontconfig set to manually installed. debconf is already the newest version (1.5.92). libgomp1 is already the newest version (16.1.0-2). libgomp1 set to manually installed. libboost-mpi-python1.90-dev is already the newest version (1.90.0-6). libboost-mpi-python1.90-dev set to manually installed. mawk is already the newest version (1.3.4.20260302-1). media-types is already the newest version (14.0.0). media-types set to manually installed. adwaita-icon-theme is already the newest version (50.0-2). adwaita-icon-theme set to manually installed. libgssapi-krb5-2 is already the newest version (1.22.1-3). libgssapi-krb5-2 set to manually installed. libgvplugin-gd8 is already the newest version (14.1.2-1+b2). libgvplugin-gd8 set to manually installed. libboost-locale-dev is already the newest version (1.90.0.2). libboost-locale-dev set to manually installed. libc6-dev is already the newest version (2.42-17). libc6-dev set to manually installed. libavif16 is already the newest version (1.4.1-1+b1). libavif16 set to manually installed. libboost-exception-dev is already the newest version (1.90.0.2). libboost-exception-dev set to manually installed. mpi-default-bin is already the newest version (1.20). mpi-default-bin set to manually installed. libpam0g is already the newest version (1.7.0-6). libpdfbox-java is already the newest version (1:1.8.16-5). libpdfbox-java set to manually installed. linux-libc-dev is already the newest version (7.0.13-1). linux-libc-dev set to manually installed. libeigen3-dev is already the newest version (5.0.1-1~exp1). libeigen3-dev set to manually installed. make is already the newest version (4.4.1-3). make set to manually installed. libffi-dev is already the newest version (3.5.2-4). libffi-dev set to manually installed. libssl3t64 is already the newest version (3.6.3-1). libselinux1 is already the newest version (3.10-1). libxml2-dev is already the newest version (2.15.3+dfsg-1). libxml2-dev set to manually installed. python3-typing-extensions is already the newest version (4.15.0-2). python3-typing-extensions set to manually installed. libsmartcols1 is already the newest version (2.42.2-1). libboost1.90-tools-dev is already the newest version (1.90.0-6). libboost1.90-tools-dev set to manually installed. mpi-default-dev is already the newest version (1.20). mpi-default-dev set to manually installed. xkb-data is already the newest version (2.47-1). xkb-data set to manually installed. libsm-dev is already the newest version (2:1.2.6-1+b2). libsm-dev set to manually installed. libnuma1 is already the newest version (2.0.19-1+b2). libnuma1 set to manually installed. libxt6t64 is already the newest version (1:1.2.1-1.3+b2). libxt6t64 set to manually installed. libboost-nowide1.90.0 is already the newest version (1.90.0-6). libboost-nowide1.90.0 set to manually installed. libcloudproviders0 is already the newest version (0.4.0-2+b1). libcloudproviders0 set to manually installed. libk5crypto3 is already the newest version (1.22.1-3). libk5crypto3 set to manually installed. python3.13-minimal is already the newest version (3.13.14-1). python3.13-minimal set to manually installed. libxxf86vm1 is already the newest version (1:1.1.4-2+b1). libxxf86vm1 set to manually installed. liblcms2-2 is already the newest version (2.19.1-1). liblcms2-2 set to manually installed. libboost-type-erasure-dev is already the newest version (1.90.0.2). libboost-type-erasure-dev set to manually installed. util-linux is already the newest version (2.42.2-1). glycin-thumbnailers is already the newest version (2.1.5+ds-2). glycin-thumbnailers set to manually installed. libboost-random1.90.0 is already the newest version (1.90.0-6). libboost-random1.90.0 set to manually installed. libboost-dev is already the newest version (1.90.0.2). libboost-dev set to manually installed. libxcb-dri3-0 is already the newest version (1.17.0-2+b2). libxcb-dri3-0 set to manually installed. binutils-i686-linux-gnu is already the newest version (2.46.50.20260617-1). binutils-i686-linux-gnu set to manually installed. grep is already the newest version (3.12-1). libcairo2-dev is already the newest version (1.18.4-3+b1). libcairo2-dev set to manually installed. libkpathsea6 is already the newest version (2026.20260303.78225+ds-4). libkpathsea6 set to manually installed. perl-base is already the newest version (5.40.1-8). libmpich-dev is already the newest version (5.0.1-5). libmpich-dev set to manually installed. zlib1g is already the newest version (1:1.3.dfsg+really1.3.2-3). libpython3-stdlib is already the newest version (3.14.6-1). libpython3-stdlib set to manually installed. glycin-loaders is already the newest version (2.1.5+ds-2). glycin-loaders set to manually installed. libgvc7 is already the newest version (14.1.2-1+b2). libgvc7 set to manually installed. libgtk-3-0t64 is already the newest version (3.24.52-1). libgtk-3-0t64 set to manually installed. libboost-test-dev is already the newest version (1.90.0.2). libboost-test-dev set to manually installed. libxmu6 is already the newest version (2:1.1.3-4+b1). libxmu6 set to manually installed. fonts-urw-base35 is already the newest version (20200910-9). fonts-urw-base35 set to manually installed. python3.14-dev is already the newest version (3.14.6-1). python3.14-dev set to manually installed. libc-gconv-modules-extra is already the newest version (2.42-17). libcrypt1 is already the newest version (1:4.5.1-1+b1). libxcb-randr0 is already the newest version (1.17.0-2+b2). libxcb-randr0 set to manually installed. liblzma-dev is already the newest version (5.8.3-1). liblzma-dev set to manually installed. libabsl20260107 is already the newest version (20260107.0-5). libabsl20260107 set to manually installed. libsvtav1enc4 is already the newest version (4.1.0+dfsg-1). libsvtav1enc4 set to manually installed. gfortran-15 is already the newest version (15.3.0-1). gfortran-15 set to manually installed. shared-mime-info is already the newest version (2.4-5+b3). shared-mime-info set to manually installed. libxdmcp6 is already the newest version (1:1.1.5-2+b1). libxdmcp6 set to manually installed. libperl-dev is already the newest version (5.40.1-8). libperl-dev set to manually installed. texlive-base is already the newest version (2026.20260527-3). texlive-base set to manually installed. uuid-dev is already the newest version (2.42.2-1). uuid-dev set to manually installed. libbz2-1.0 is already the newest version (1.0.8-6+b2). patch is already the newest version (2.8-2). patch set to manually installed. rpcsvc-proto is already the newest version (1.4.4-1). rpcsvc-proto set to manually installed. libice-dev is already the newest version (2:1.1.1-1+b2). libice-dev set to manually installed. cpp-i686-linux-gnu is already the newest version (4:15.2.0-5+b1). cpp-i686-linux-gnu set to manually installed. libpython3.14-minimal is already the newest version (3.14.6-1). libpython3.14-minimal set to manually installed. libclang1-21 is already the newest version (1:21.1.8-7+b3). libclang1-21 set to manually installed. texlive-binaries is already the newest version (2026.20260303.78225+ds-4). texlive-binaries set to manually installed. libavahi-client3 is already the newest version (0.8-18). libavahi-client3 set to manually installed. libgfortran-15-dev is already the newest version (15.3.0-1). libgfortran-15-dev set to manually installed. libinchi-dev is already the newest version (1.07.3+dfsg-2). libinchi-dev set to manually installed. libpng-dev is already the newest version (1.6.58-1). libpng-dev set to manually installed. libcoordgen-dev is already the newest version (3.0.2-4). libcoordgen-dev set to manually installed. libboost1.90-dev is already the newest version (1.90.0-6). libboost1.90-dev set to manually installed. dh-strip-nondeterminism is already the newest version (1.15.1-1). dh-strip-nondeterminism set to manually installed. python3.13 is already the newest version (3.13.14-1). python3.13 set to manually installed. po-debconf is already the newest version (1.0.22). po-debconf set to manually installed. sed is already the newest version (4.9-3). libboost-coroutine-dev is already the newest version (1.90.0.2). libboost-coroutine-dev set to manually installed. intltool-debian is already the newest version (0.35.0+20060710.6). intltool-debian set to manually installed. libllvm21 is already the newest version (1:21.1.8-7+b3). libllvm21 set to manually installed. libboost-graph-parallel-dev is already the newest version (1.90.0.2). libboost-graph-parallel-dev set to manually installed. libtinfo6 is already the newest version (6.6+20251231-1+b1). base-passwd is already the newest version (3.6.8). libfribidi0 is already the newest version (1.0.16-5+b1). libfribidi0 set to manually installed. libboost-process-dev is already the newest version (1.90.0.2). libboost-process-dev set to manually installed. gfortran-15-i686-linux-gnu is already the newest version (15.3.0-1). gfortran-15-i686-linux-gnu set to manually installed. libgcc-15-dev is already the newest version (15.3.0-1). libgcc-15-dev set to manually installed. libcoordgen3 is already the newest version (3.0.2-4). libcoordgen3 set to manually installed. libxdmcp-dev is already the newest version (1:1.1.5-2+b1). libxdmcp-dev set to manually installed. xorg-sgml-doctools is already the newest version (1:1.12.1-1). xorg-sgml-doctools set to manually installed. libboost-url1.90-dev is already the newest version (1.90.0-6). libboost-url1.90-dev set to manually installed. libcrypt-dev is already the newest version (1:4.5.1-1+b1). libcrypt-dev set to manually installed. libz3-4 is already the newest version (4.13.3-1.1). libz3-4 set to manually installed. libboost-serialization1.90.0 is already the newest version (1.90.0-6). libboost-serialization1.90.0 set to manually installed. hicolor-icon-theme is already the newest version (0.18-2). hicolor-icon-theme set to manually installed. libnettle8t64 is already the newest version (3.10.2-1+b1). libnettle8t64 set to manually installed. libboost-timer-dev is already the newest version (1.90.0.2). libboost-timer-dev set to manually installed. libpcre2-8-0 is already the newest version (10.46-1+b2). xtrans-dev is already the newest version (1.6.0-1). xtrans-dev set to manually installed. libboost-numpy1.90.0 is already the newest version (1.90.0-6). libboost-numpy1.90.0 set to manually installed. libboost-stacktrace1.90.0 is already the newest version (1.90.0-6). libboost-stacktrace1.90.0 set to manually installed. gzip is already the newest version (1.13-1). libyuv0 is already the newest version (0.0.1922.20260106-1+b1). libyuv0 set to manually installed. libopengl-dev is already the newest version (1.7.0-3+b1). libopengl-dev set to manually installed. libattr1 is already the newest version (1:2.5.2-4). libjs-sphinxdoc is already the newest version (9.1.0-4). libjs-sphinxdoc set to manually installed. libglib2.0-dev-bin is already the newest version (2.88.2-1). libglib2.0-dev-bin set to manually installed. libsasl2-modules-db is already the newest version (2.1.28+dfsg1-11). libsasl2-modules-db set to manually installed. libopenjp2-7 is already the newest version (2.5.4-1.1). libopenjp2-7 set to manually installed. libboost-math1.90.0 is already the newest version (1.90.0-6). libboost-math1.90.0 set to manually installed. libboost-graph1.90.0 is already the newest version (1.90.0-6). libboost-graph1.90.0 set to manually installed. libkrb5support0 is already the newest version (1.22.1-3). libkrb5support0 set to manually installed. libatomic1 is already the newest version (16.1.0-2). libatomic1 set to manually installed. groff-base is already the newest version (1.24.1-1). groff-base set to manually installed. libctf0 is already the newest version (2.46.50.20260617-1). libctf0 set to manually installed. libxxhash0 is already the newest version (0.8.3-2+b2). libxxhash0 set to manually installed. libglx-dev is already the newest version (1.7.0-3+b1). libglx-dev set to manually installed. autoconf is already the newest version (2.73-2). autoconf set to manually installed. libpotrace0 is already the newest version (1.16-2+b3). libpotrace0 set to manually installed. perl-modules-5.40 is already the newest version (5.40.1-8). perl-modules-5.40 set to manually installed. t1utils is already the newest version (1.41-4). t1utils set to manually installed. libxext-dev is already the newest version (2:1.3.4-1+b4). libxext-dev set to manually installed. libboost-fiber1.90.0 is already the newest version (1.90.0-6). libboost-fiber1.90.0 set to manually installed. libgdk-pixbuf2.0-common is already the newest version (2.44.6+dfsg-2). libgdk-pixbuf2.0-common set to manually installed. libharfbuzz0b is already the newest version (12.3.2-2+b2). libharfbuzz0b set to manually installed. libmagic-mgc is already the newest version (1:5.47-4). libmagic-mgc set to manually installed. x11proto-dev is already the newest version (2025.1-1). x11proto-dev set to manually installed. libboost-mpi1.90-dev is already the newest version (1.90.0-6). libboost-mpi1.90-dev set to manually installed. libcom-err2 is already the newest version (1.47.4-1). libcom-err2 set to manually installed. g++ is already the newest version (4:15.2.0-5+b1). g++ set to manually installed. libtool is already the newest version (2.5.4-11). libtool set to manually installed. rapidjson-dev is already the newest version (1.1.0+dfsg2-7.6). rapidjson-dev set to manually installed. libarchive13t64 is already the newest version (3.8.7-1). libarchive13t64 set to manually installed. libsysprof-capture-4-dev is already the newest version (50.0-3). libsysprof-capture-4-dev set to manually installed. binutils is already the newest version (2.46.50.20260617-1). binutils set to manually installed. dpkg-dev is already the newest version (1.23.7). dpkg-dev set to manually installed. libmpich12 is already the newest version (5.0.1-5). libmpich12 set to manually installed. libnuma-dev is already the newest version (2.0.19-1+b2). libnuma-dev set to manually installed. libgnutls30t64 is already the newest version (3.8.13-1). libgnutls30t64 set to manually installed. python3.14 is already the newest version (3.14.6-1). python3.14 set to manually installed. binutils-common is already the newest version (2.46.50.20260617-1). binutils-common set to manually installed. base-files is already the newest version (14.2). liblz4-1 is already the newest version (1.10.0-10). liblz4-1 set to manually installed. dconf-service is already the newest version (0.49.0-4+b1). dconf-service set to manually installed. libbrotli1 is already the newest version (1.2.0-3). libbrotli1 set to manually installed. dconf-gsettings-backend is already the newest version (0.49.0-4+b1). dconf-gsettings-backend set to manually installed. libwxgtk-gl3.2-1t64 is already the newest version (3.2.9+dfsg-1+b1). libwxgtk-gl3.2-1t64 set to manually installed. ucf is already the newest version (3.0056). ucf set to manually installed. libboost-context1.90.0 is already the newest version (1.90.0-6). libboost-context1.90.0 set to manually installed. girepository-tools is already the newest version (2.88.2-1). girepository-tools set to manually installed. libapparmor1 is already the newest version (4.1.7-4). libapparmor1 set to manually installed. preview-latex-style is already the newest version (13.2-1.1). preview-latex-style set to manually installed. libubsan1 is already the newest version (16.1.0-2). libubsan1 set to manually installed. libboost-filesystem-dev is already the newest version (1.90.0.2). libboost-filesystem-dev set to manually installed. libogg0 is already the newest version (1.3.6-2+b1). libogg0 set to manually installed. python3-pkg-resources is already the newest version (78.1.1-0.1). python3-pkg-resources set to manually installed. libasound2t64 is already the newest version (1.2.16-1). libasound2t64 set to manually installed. libgfortran5 is already the newest version (16.1.0-2). libgfortran5 set to manually installed. libboost-numpy1.90-dev is already the newest version (1.90.0-6). libboost-numpy1.90-dev set to manually installed. libhwloc-dev is already the newest version (2.14.0-2). libhwloc-dev set to manually installed. gcc-15-base is already the newest version (15.3.0-1). gcc-15-base set to manually installed. libgdk-pixbuf-2.0-0 is already the newest version (2.44.6+dfsg-2). libgdk-pixbuf-2.0-0 set to manually installed. fonts-lmodern is already the newest version (2.005-2). fonts-lmodern set to manually installed. libboost-log1.90.0 is already the newest version (1.90.0-6). libboost-log1.90.0 set to manually installed. libboost-math1.90-dev is already the newest version (1.90.0-6). libboost-math1.90-dev set to manually installed. libboost-python1.90-dev is already the newest version (1.90.0-6). libboost-python1.90-dev set to manually installed. libfontconfig-dev is already the newest version (2.17.1-5). libfontconfig-dev set to manually installed. libboost-date-time-dev is already the newest version (1.90.0.2). libboost-date-time-dev set to manually installed. libde265-0 is already the newest version (1.0.18-1). libde265-0 set to manually installed. libboost-coroutine1.90-dev is already the newest version (1.90.0-6). libboost-coroutine1.90-dev set to manually installed. libpython3.14-stdlib is already the newest version (3.14.6-1). libpython3.14-stdlib set to manually installed. cpp-15 is already the newest version (15.3.0-1). cpp-15 set to manually installed. libboost-log-dev is already the newest version (1.90.0.2). libboost-log-dev set to manually installed. libglvnd0 is already the newest version (1.7.0-3+b1). libglvnd0 set to manually installed. libaudit1 is already the newest version (1:4.1.2-1+b1). sysvinit-utils is already the newest version (3.18-1). libexpat1-dev is already the newest version (2.8.2-1). libexpat1-dev set to manually installed. libboost-all-dev is already the newest version (1.90.0.2). libboost-all-dev set to manually installed. libglx-mesa0 is already the newest version (26.1.2-1). libglx-mesa0 set to manually installed. libdconf1 is already the newest version (0.49.0-4+b1). libdconf1 set to manually installed. libsepol-dev is already the newest version (3.10-1). libsepol-dev set to manually installed. libstdc++6 is already the newest version (16.1.0-2). libstdc++6 set to manually installed. libproc2-0 is already the newest version (2:4.0.4-9+b2). libproc2-0 set to manually installed. libboost-fiber-dev is already the newest version (1.90.0.2). libboost-fiber-dev set to manually installed. libcairo-script-interpreter2 is already the newest version (1.18.4-3+b1). libcairo-script-interpreter2 set to manually installed. sensible-utils is already the newest version (0.0.26). sensible-utils set to manually installed. gtk-update-icon-cache is already the newest version (4.22.4+ds-1). gtk-update-icon-cache set to manually installed. libboost-url-dev is already the newest version (1.90.0.2). libboost-url-dev set to manually installed. libglu1-mesa is already the newest version (9.0.2-1.1+b4). libglu1-mesa set to manually installed. libxcb-present0 is already the newest version (1.17.0-2+b2). libxcb-present0 set to manually installed. libwxgtk3.2-dev is already the newest version (3.2.9+dfsg-1+b1). libwxgtk3.2-dev set to manually installed. libdebhelper-perl is already the newest version (14.2). libdebhelper-perl set to manually installed. python3-zipp is already the newest version (3.23.0-1). python3-zipp set to manually installed. libpam-runtime is already the newest version (1.7.0-6). libblkid-dev is already the newest version (2.42.2-1). libblkid-dev set to manually installed. libkrb5-3 is already the newest version (1.22.1-3). libkrb5-3 set to manually installed. cmake is already the newest version (4.3.4-1). cmake set to manually installed. libngtcp2-16 is already the newest version (1.22.1-1). libngtcp2-16 set to manually installed. libssh2-1t64 is already the newest version (1.11.1-4). libssh2-1t64 set to manually installed. libtasn1-6 is already the newest version (4.21.0-2+b1). libtasn1-6 set to manually installed. libpcre2-dev is already the newest version (10.46-1+b2). libpcre2-dev set to manually installed. tar is already the newest version (1.35+dfsg-4). libboost-random-dev is already the newest version (1.90.0.2). libboost-random-dev set to manually installed. libheif1 is already the newest version (1.21.2-4). libheif1 set to manually installed. tzdata is already the newest version (2026b-1). tzdata set to manually installed. libpng16-16t64 is already the newest version (1.6.58-1). libpng16-16t64 set to manually installed. libdbus-1-3 is already the newest version (1.16.2-5+b1). libdbus-1-3 set to manually installed. libboost-regex1.90-dev is already the newest version (1.90.0-6). libboost-regex1.90-dev set to manually installed. libimagequant0 is already the newest version (4.4.1-1+b2). libimagequant0 set to manually installed. libgirepository-2.0-0 is already the newest version (2.88.2-1). libgirepository-2.0-0 set to manually installed. libxapian30 is already the newest version (1.4.31-2). libxapian30 set to manually installed. m4 is already the newest version (1.4.21-1). m4 set to manually installed. g++-15 is already the newest version (15.3.0-1). g++-15 set to manually installed. libboost-atomic1.90.0 is already the newest version (1.90.0-6). libboost-atomic1.90.0 set to manually installed. libboost-type-erasure1.90-dev is already the newest version (1.90.0-6). libboost-type-erasure1.90-dev set to manually installed. libtexlua53-5 is already the newest version (2026.20260303.78225+ds-4). libtexlua53-5 set to manually installed. libharfbuzz-subset0 is already the newest version (12.3.2-2+b2). libharfbuzz-subset0 set to manually installed. libpathplan4 is already the newest version (14.1.2-1+b2). libpathplan4 set to manually installed. at-spi2-common is already the newest version (2.61.0-1). at-spi2-common set to manually installed. dh-python is already the newest version (7.20260623). dh-python set to manually installed. libapache-pom-java is already the newest version (33-2). libapache-pom-java set to manually installed. libgdbm-compat4t64 is already the newest version (1.26-1+b2). libgdbm-compat4t64 set to manually installed. libboost-tools-dev is already the newest version (1.90.0.2). libboost-tools-dev set to manually installed. libjsoncpp26 is already the newest version (1.9.7-4). libjsoncpp26 set to manually installed. 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: running --customize-hook in shell: sh -c 'chroot "$1" dpkg -r debootsnap-dummy' exec /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp (Reading database ... 71010 files and directories currently installed.) Removing debootsnap-dummy (1.0) ... I: running --customize-hook in shell: sh -c 'chroot "$1" dpkg-query --showformat '${binary:Package}=${Version}\n' --show > "$1/pkglist"' exec /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp I: running special hook: download /pkglist ./pkglist I: running --customize-hook in shell: sh -c 'rm "$1/pkglist"' exec /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp I: running special hook: upload sources.list /etc/apt/sources.list I: waiting for background processes to finish... I: cleaning package lists and apt cache... I: skipping cleanup/reproducible as requested I: creating tarball... I: done I: removing tempdir /srv/rebuilderd/tmp/mmdebstrap.CE1XrTstPp... I: success in 305.3107 seconds Downloading dependency 508 of 613: libpotrace0:i386=1.16-2+b3 Downloading dependency 509 of 613: perl-modules-5.40:i386=5.40.1-8 Downloading dependency 510 of 613: t1utils:i386=1.41-4 Downloading dependency 511 of 613: libxext-dev:i386=2:1.3.4-1+b4 Downloading dependency 512 of 613: libboost-fiber1.90.0:i386=1.90.0-6 Downloading dependency 513 of 613: libgdk-pixbuf2.0-common:i386=2.44.6+dfsg-2 Downloading dependency 514 of 613: libharfbuzz0b:i386=12.3.2-2+b2 Downloading dependency 515 of 613: libmagic-mgc:i386=1:5.47-4 Downloading dependency 516 of 613: x11proto-dev:i386=2025.1-1 Downloading dependency 517 of 613: libboost-mpi1.90-dev:i386=1.90.0-6 Downloading dependency 518 of 613: libcom-err2:i386=1.47.4-1 Downloading dependency 519 of 613: g++:i386=4:15.2.0-5+b1 Downloading dependency 520 of 613: libtool:i386=2.5.4-11 Downloading dependency 521 of 613: rapidjson-dev:i386=1.1.0+dfsg2-7.6 Downloading dependency 522 of 613: libarchive13t64:i386=3.8.7-1 Downloading dependency 523 of 613: libsysprof-capture-4-dev:i386=50.0-3 Downloading dependency 524 of 613: binutils:i386=2.46.50.20260617-1 Downloading dependency 525 of 613: dpkg-dev:i386=1.23.7 Downloading dependency 526 of 613: libmpich12:i386=5.0.1-5 Downloading dependency 527 of 613: libnuma-dev:i386=2.0.19-1+b2 Downloading dependency 528 of 613: libgnutls30t64:i386=3.8.13-1 Downloading dependency 529 of 613: python3.14:i386=3.14.6-1 Downloading dependency 530 of 613: binutils-common:i386=2.46.50.20260617-1 Downloading dependency 531 of 613: base-files:i386=14.2 Downloading dependency 532 of 613: liblz4-1:i386=1.10.0-10 Downloading dependency 533 of 613: dconf-service:i386=0.49.0-4+b1 Downloading dependency 534 of 613: libbrotli1:i386=1.2.0-3 Downloading dependency 535 of 613: dconf-gsettings-backend:i386=0.49.0-4+b1 Downloading dependency 536 of 613: libwxgtk-gl3.2-1t64:i386=3.2.9+dfsg-1+b1 Downloading dependency 537 of 613: ucf:i386=3.0056 Downloading dependency 538 of 613: libboost-context1.90.0:i386=1.90.0-6 Downloading dependency 539 of 613: girepository-tools:i386=2.88.2-1 Downloading dependency 540 of 613: libapparmor1:i386=4.1.7-4 Downloading dependency 541 of 613: preview-latex-style:i386=13.2-1.1 Downloading dependency 542 of 613: libubsan1:i386=16.1.0-2 Downloading dependency 543 of 613: libboost-filesystem-dev:i386=1.90.0.2 Downloading dependency 544 of 613: libogg0:i386=1.3.6-2+b1 Downloading dependency 545 of 613: python3-pkg-resources:i386=78.1.1-0.1 Downloading dependency 546 of 613: libasound2t64:i386=1.2.16-1 Downloading dependency 547 of 613: libgfortran5:i386=16.1.0-2 Downloading dependency 548 of 613: libboost-numpy1.90-dev:i386=1.90.0-6 Downloading dependency 549 of 613: libhwloc-dev:i386=2.14.0-2 Downloading dependency 550 of 613: gcc-15-base:i386=15.3.0-1 Downloading dependency 551 of 613: libgdk-pixbuf-2.0-0:i386=2.44.6+dfsg-2 Downloading dependency 552 of 613: fonts-lmodern:i386=2.005-2 Downloading dependency 553 of 613: libboost-log1.90.0:i386=1.90.0-6 Downloading dependency 554 of 613: libboost-math1.90-dev:i386=1.90.0-6 Downloading dependency 555 of 613: libboost-python1.90-dev:i386=1.90.0-6 Downloading dependency 556 of 613: libfontconfig-dev:i386=2.17.1-5 Downloading dependency 557 of 613: libboost-date-time-dev:i386=1.90.0.2 Downloading dependency 558 of 613: libde265-0:i386=1.0.18-1 Downloading dependency 559 of 613: libboost-coroutine1.90-dev:i386=1.90.0-6 Downloading dependency 560 of 613: libpython3.14-stdlib:i386=3.14.6-1 Downloading dependency 561 of 613: cpp-15:i386=15.3.0-1 Downloading dependency 562 of 613: libboost-log-dev:i386=1.90.0.2 Downloading dependency 563 of 613: libglvnd0:i386=1.7.0-3+b1 Downloading dependency 564 of 613: libaudit1:i386=1:4.1.2-1+b1 Downloading dependency 565 of 613: sysvinit-utils:i386=3.18-1 Downloading dependency 566 of 613: libexpat1-dev:i386=2.8.2-1 Downloading dependency 567 of 613: libboost-all-dev:i386=1.90.0.2 Downloading dependency 568 of 613: libglx-mesa0:i386=26.1.2-1 Downloading dependency 569 of 613: libdconf1:i386=0.49.0-4+b1 Downloading dependency 570 of 613: libsepol-dev:i386=3.10-1 Downloading dependency 571 of 613: libstdc++6:i386=16.1.0-2 Downloading dependency 572 of 613: libproc2-0:i386=2:4.0.4-9+b2 Downloading dependency 573 of 613: libboost-fiber-dev:i386=1.90.0.2 Downloading dependency 574 of 613: libcairo-script-interpreter2:i386=1.18.4-3+b1 Downloading dependency 575 of 613: sensible-utils:i386=0.0.26 Downloading dependency 576 of 613: gtk-update-icon-cache:i386=4.22.4+ds-1 Downloading dependency 577 of 613: libboost-url-dev:i386=1.90.0.2 Downloading dependency 578 of 613: libglu1-mesa:i386=9.0.2-1.1+b4 Downloading dependency 579 of 613: libxcb-present0:i386=1.17.0-2+b2 Downloading dependency 580 of 613: libwxgtk3.2-dev:i386=3.2.9+dfsg-1+b1 Downloading dependency 581 of 613: libdebhelper-perl:i386=14.2 Downloading dependency 582 of 613: python3-zipp:i386=3.23.0-1 Downloading dependency 583 of 613: libpam-runtime:i386=1.7.0-6 Downloading dependency 584 of 613: libblkid-dev:i386=2.42.2-1 Downloading dependency 585 of 613: libkrb5-3:i386=1.22.1-3 Downloading dependency 586 of 613: cmake:i386=4.3.4-1 Downloading dependency 587 of 613: libngtcp2-16:i386=1.22.1-1 Downloading dependency 588 of 613: libssh2-1t64:i386=1.11.1-4 Downloading dependency 589 of 613: libtasn1-6:i386=4.21.0-2+b1 Downloading dependency 590 of 613: libpcre2-dev:i386=10.46-1+b2 Downloading dependency 591 of 613: tar:i386=1.35+dfsg-4 Downloading dependency 592 of 613: libboost-random-dev:i386=1.90.0.2 Downloading dependency 593 of 613: libheif1:i386=1.21.2-4 Downloading dependency 594 of 613: tzdata:i386=2026b-1 Downloading dependency 595 of 613: libpng16-16t64:i386=1.6.58-1 Downloading dependency 596 of 613: libdbus-1-3:i386=1.16.2-5+b1 Downloading dependency 597 of 613: libboost-regex1.90-dev:i386=1.90.0-6 Downloading dependency 598 of 613: libimagequant0:i386=4.4.1-1+b2 Downloading dependency 599 of 613: libgirepository-2.0-0:i386=2.88.2-1 Downloading dependency 600 of 613: libxapian30:i386=1.4.31-2 Downloading dependency 601 of 613: m4:i386=1.4.21-1 Downloading dependency 602 of 613: g++-15:i386=15.3.0-1 Downloading dependency 603 of 613: libboost-atomic1.90.0:i386=1.90.0-6 Downloading dependency 604 of 613: libboost-type-erasure1.90-dev:i386=1.90.0-6 Downloading dependency 605 of 613: libtexlua53-5:i386=2026.20260303.78225+ds-4 Downloading dependency 606 of 613: libharfbuzz-subset0:i386=12.3.2-2+b2 Downloading dependency 607 of 613: libpathplan4:i386=14.1.2-1+b2 Downloading dependency 608 of 613: at-spi2-common:i386=2.61.0-1 Downloading dependency 609 of 613: dh-python:i386=7.20260623 Downloading dependency 610 of 613: libapache-pom-java:i386=33-2 Downloading dependency 611 of 613: libgdbm-compat4t64:i386=1.26-1+b2 Downloading dependency 612 of 613: libboost-tools-dev:i386=1.90.0.2 Downloading dependency 613 of 613: libjsoncpp26:i386=1.9.7-4 env --chdir=/srv/rebuilderd/tmp/rebuilderdMS5Ylc/out DEB_BUILD_OPTIONS=parallel=6 LANG=C.UTF-8 LC_COLLATE=C.UTF-8 LC_CTYPE=C.UTF-8 SOURCE_DATE_EPOCH=1782646238 SBUILD_CONFIG=/srv/rebuilderd/tmp/debrebuildtUkqJz/debrebuild.sbuildrc._Pt1TViDc6Rg sbuild --build=i386 --host=i386 --arch-any --no-arch-all --binNMU-changelog= openbabel (3.2.0+dfsg-1~exp+b1) experimental; urgency=low, binary-only=yes * Binary-only non-maintainer upload for i386; no source changes. * Rebuild with python3.14 as default. -- all / amd64 / i386 Build Daemon (x86-conova-02) Sun, 28 Jun 2026 11:30:38 +0000 --chroot=/srv/rebuilderd/tmp/debrebuildtUkqJz/debrebuild.tar.SFF7MWyGGuf5 --chroot-mode=unshare --dist=unstable --no-run-lintian --no-run-piuparts --no-run-autopkgtest --no-apt-update --no-apt-upgrade --no-apt-distupgrade --no-source --verbose --nolog --bd-uninstallable-explainer= --build-path=/build/reproducible-path --dsc-dir=openbabel-3.2.0+dfsg /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs/openbabel_3.2.0+dfsg-1~exp.dsc I: consider moving your ~/.sbuildrc to /srv/rebuilderd/.config/sbuild/config.pl The Debian buildds switched to the "unshare" backend and sbuild will default to it in the future. To start using "unshare" add this to your `~/.config/sbuild/config.pl`: $chroot_mode = "unshare"; If you want to keep the old "schroot" mode even in the future, add the following to your `~/.config/sbuild/config.pl`: $chroot_mode = "schroot"; $schroot = "schroot"; sbuild: warning: descr(l1): found blank line where expected first heading sbuild (Debian sbuild) 0.89.3+deb13u4 (28 December 2025) on infom08-amd64 +==============================================================================+ | openbabel 3.2.0+dfsg-1~exp+b1 (i386) Mon, 29 Jun 2026 13:28:06 +0000 | +==============================================================================+ Package: openbabel Version: 3.2.0+dfsg-1~exp+b1 Source Version: 3.2.0+dfsg-1~exp Distribution: unstable Machine Architecture: amd64 Host Architecture: i386 Build Architecture: i386 Build Type: any I: No tarballs found in /srv/rebuilderd/.cache/sbuild I: Unpacking /srv/rebuilderd/tmp/debrebuildtUkqJz/debrebuild.tar.SFF7MWyGGuf5 to /srv/rebuilderd/tmp/tmp.sbuild.WeR9POuBMc... I: Setting up the chroot... I: Creating chroot session... I: Setting up log color... I: Setting up apt archive... +------------------------------------------------------------------------------+ | Fetch source files Mon, 29 Jun 2026 13:28:17 +0000 | +------------------------------------------------------------------------------+ Local sources ------------- /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs/openbabel_3.2.0+dfsg-1~exp.dsc exists in /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs; copying to chroot sbuild: warning: descr(l1): found blank line where expected first heading +------------------------------------------------------------------------------+ | Install package build dependencies Mon, 29 Jun 2026 13:28:19 +0000 | +------------------------------------------------------------------------------+ Setup apt archive ----------------- Merged Build-Depends: cmake, debhelper-compat (= 13), dh-python, doxygen, ghostscript, graphviz, libboost-all-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev (>= 5), libinchi-dev, libmaeparser-dev, libperl-dev, libwxgtk3.2-dev, libxml2-dev, pkgconf, python3-all, python3-dev, python3-setuptools, rapidjson-dev, swig, texlive-binaries, texlive-latex-base, texlive-latex-extra, zlib1g-dev, build-essential Filtered Build-Depends: cmake, debhelper-compat (= 13), dh-python, doxygen, ghostscript, graphviz, libboost-all-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev (>= 5), libinchi-dev, libmaeparser-dev, libperl-dev, libwxgtk3.2-dev, libxml2-dev, pkgconf, python3-all, python3-dev, python3-setuptools, rapidjson-dev, swig, texlive-binaries, texlive-latex-base, texlive-latex-extra, zlib1g-dev, build-essential dpkg-deb: building package 'sbuild-build-depends-main-dummy' in '/build/reproducible-path/resolver-NDhkRV/apt_archive/sbuild-build-depends-main-dummy.deb'. Install main build dependencies (apt-based resolver) ---------------------------------------------------- Installing build dependencies +------------------------------------------------------------------------------+ | Check architectures Mon, 29 Jun 2026 13:28:22 +0000 | +------------------------------------------------------------------------------+ Arch check ok (i386 included in any all) +------------------------------------------------------------------------------+ | Build environment Mon, 29 Jun 2026 13:28:22 +0000 | +------------------------------------------------------------------------------+ Kernel: Linux 6.12.94+deb13-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.94-1 (2026-06-20) amd64 (x86_64) Toolchain package versions: binutils_2.46.50.20260617-1 dpkg-dev_1.23.7 g++-15_15.3.0-1 gcc-15_15.3.0-1 libc6-dev_2.42-17 libstdc++-15-dev_15.3.0-1 libstdc++6_16.1.0-2 linux-libc-dev_7.0.13-1 Package versions: adwaita-icon-theme_50.0-2 at-spi2-common_2.61.0-1 autoconf_2.73-2 automake_1:1.18.1-4 autopoint_1.0-1 autotools-dev_20240727.1+nmu1 base-files_14.2 base-passwd_3.6.8 bash_5.3-3 binutils_2.46.50.20260617-1 binutils-common_2.46.50.20260617-1 binutils-i686-linux-gnu_2.46.50.20260617-1 bsdextrautils_2.42.2-1 bubblewrap_0.11.2-2 build-essential_12.12 bzip2_1.0.8-6+b2 cmake_4.3.4-1 coreutils_9.10-1 cpp_4:15.2.0-5+b1 cpp-15_15.3.0-1 cpp-15-i686-linux-gnu_15.3.0-1 cpp-i686-linux-gnu_4:15.2.0-5+b1 dash_0.5.12-12 dbus-bin_1.16.2-5+b1 dbus-daemon_1.16.2-5+b1 dbus-session-bus-common_1.16.2-5 dbus-x11_1.16.2-5+b1 dconf-gsettings-backend_0.49.0-4+b1 dconf-service_0.49.0-4+b1 debconf_1.5.92 debhelper_14.2 debianutils_5.23.2 dh-autoreconf_22 dh-python_7.20260623 dh-strip-nondeterminism_1.15.1-1 diffutils_1:3.12-1 doxygen_1.15.0+ds1-1.1 dpkg_1.23.7 dpkg-dev_1.23.7 dwz_0.16-4 file_1:5.47-4 findutils_4.10.0-4 fontconfig_2.17.1-5 fontconfig-config_2.17.1-5 fonts-lmodern_2.005-2 fonts-urw-base35_20200910-9 g++_4:15.2.0-5+b1 g++-15_15.3.0-1 g++-15-i686-linux-gnu_15.3.0-1 g++-i686-linux-gnu_4:15.2.0-5+b1 gcc_4:15.2.0-5+b1 gcc-15_15.3.0-1 gcc-15-base_15.3.0-1 gcc-15-i686-linux-gnu_15.3.0-1 gcc-16-base_16.1.0-2 gcc-i686-linux-gnu_4:15.2.0-5+b1 gettext_1.0-1 gettext-base_1.0-1 gfortran-15_15.3.0-1 gfortran-15-i686-linux-gnu_15.3.0-1 ghostscript_10.07.1~dfsg-1 girepository-tools_2.88.2-1 glycin-loaders_2.1.5+ds-2 glycin-thumbnailers_2.1.5+ds-2 graphviz_14.1.2-1+b2 grep_3.12-1 groff-base_1.24.1-1 gtk-update-icon-cache_4.22.4+ds-1 gzip_1.13-1 hicolor-icon-theme_0.18-2 hostname_3.25 hwloc-nox_2.14.0-2 init-system-helpers_1.69 intltool-debian_0.35.0+20060710.6 libabsl20260107_20260107.0-5 libacl1_2.3.2-3 libaom3_3.13.1-2+b1 libapache-pom-java_33-2 libapparmor1_4.1.7-4 libarchive-zip-perl_1.68-1 libarchive13t64_3.8.7-1 libasan8_16.1.0-2 libasound2-data_1.2.16-1 libasound2t64_1.2.16-1 libasyncns0_0.8-8 libatk-bridge2.0-0t64_2.61.0-1 libatk1.0-0t64_2.61.0-1 libatomic1_16.1.0-2 libatspi2.0-0t64_2.61.0-1 libattr1_1:2.5.2-4 libaudit-common_1:4.1.2-1 libaudit1_1:4.1.2-1+b1 libavahi-client3_0.8-18 libavahi-common-data_0.8-18 libavahi-common3_0.8-18 libavif16_1.4.1-1+b1 libbinutils_2.46.50.20260617-1 libblkid-dev_2.42.2-1 libblkid1_2.42.2-1 libboost-all-dev_1.90.0.2 libboost-atomic-dev_1.90.0.2 libboost-atomic1.90-dev_1.90.0-6 libboost-atomic1.90.0_1.90.0-6 libboost-charconv1.90-dev_1.90.0-6 libboost-charconv1.90.0_1.90.0-6 libboost-chrono-dev_1.90.0.2 libboost-chrono1.90-dev_1.90.0-6 libboost-chrono1.90.0_1.90.0-6 libboost-container-dev_1.90.0.2 libboost-container1.90-dev_1.90.0-6 libboost-container1.90.0_1.90.0-6 libboost-context-dev_1.90.0.2 libboost-context1.90-dev_1.90.0-6 libboost-context1.90.0_1.90.0-6 libboost-coroutine-dev_1.90.0.2 libboost-coroutine1.90-dev_1.90.0-6 libboost-coroutine1.90.0_1.90.0-6 libboost-date-time-dev_1.90.0.2 libboost-date-time1.90-dev_1.90.0-6 libboost-date-time1.90.0_1.90.0-6 libboost-dev_1.90.0.2 libboost-exception-dev_1.90.0.2 libboost-exception1.90-dev_1.90.0-6 libboost-fiber-dev_1.90.0.2 libboost-fiber1.90-dev_1.90.0-6 libboost-fiber1.90.0_1.90.0-6 libboost-filesystem-dev_1.90.0.2 libboost-filesystem1.90-dev_1.90.0-6 libboost-filesystem1.90.0_1.90.0-6 libboost-graph-dev_1.90.0.2 libboost-graph-parallel-dev_1.90.0.2 libboost-graph-parallel1.90-dev_1.90.0-6 libboost-graph-parallel1.90.0_1.90.0-6 libboost-graph1.90-dev_1.90.0-6 libboost-graph1.90.0_1.90.0-6 libboost-iostreams-dev_1.90.0.2 libboost-iostreams1.90-dev_1.90.0-6 libboost-iostreams1.90.0_1.90.0-6 libboost-json-dev_1.90.0.2 libboost-json1.90-dev_1.90.0-6 libboost-json1.90.0_1.90.0-6 libboost-locale-dev_1.90.0.2 libboost-locale1.90-dev_1.90.0-6 libboost-locale1.90.0_1.90.0-6 libboost-log-dev_1.90.0.2 libboost-log1.90-dev_1.90.0-6 libboost-log1.90.0_1.90.0-6 libboost-math-dev_1.90.0.2 libboost-math1.90-dev_1.90.0-6 libboost-math1.90.0_1.90.0-6 libboost-mpi-dev_1.90.0.2 libboost-mpi-python-dev_1.90.0.2 libboost-mpi-python1.90-dev_1.90.0-6 libboost-mpi-python1.90.0_1.90.0-6 libboost-mpi1.90-dev_1.90.0-6 libboost-mpi1.90.0_1.90.0-6 libboost-nowide-dev_1.90.0.2 libboost-nowide1.90-dev_1.90.0-6 libboost-nowide1.90.0_1.90.0-6 libboost-numpy-dev_1.90.0.2 libboost-numpy1.90-dev_1.90.0-6 libboost-numpy1.90.0_1.90.0-6 libboost-process-dev_1.90.0.2 libboost-process1.90-dev_1.90.0-6 libboost-process1.90.0_1.90.0-6 libboost-program-options-dev_1.90.0.2 libboost-program-options1.90-dev_1.90.0-6 libboost-program-options1.90.0_1.90.0-6 libboost-python-dev_1.90.0.2 libboost-python1.90-dev_1.90.0-6 libboost-python1.90.0_1.90.0-6 libboost-random-dev_1.90.0.2 libboost-random1.90-dev_1.90.0-6 libboost-random1.90.0_1.90.0-6 libboost-regex-dev_1.90.0.2 libboost-regex1.90-dev_1.90.0-6 libboost-regex1.90.0_1.90.0-6 libboost-serialization-dev_1.90.0.2 libboost-serialization1.90-dev_1.90.0-6 libboost-serialization1.90.0_1.90.0-6 libboost-stacktrace-dev_1.90.0.2 libboost-stacktrace1.90-dev_1.90.0-6 libboost-stacktrace1.90.0_1.90.0-6 libboost-test-dev_1.90.0.2 libboost-test1.90-dev_1.90.0-6 libboost-test1.90.0_1.90.0-6 libboost-thread-dev_1.90.0.2 libboost-thread1.90-dev_1.90.0-6 libboost-thread1.90.0_1.90.0-6 libboost-timer-dev_1.90.0.2 libboost-timer1.90-dev_1.90.0-6 libboost-timer1.90.0_1.90.0-6 libboost-tools-dev_1.90.0.2 libboost-type-erasure-dev_1.90.0.2 libboost-type-erasure1.90-dev_1.90.0-6 libboost-type-erasure1.90.0_1.90.0-6 libboost-url-dev_1.90.0.2 libboost-url1.90-dev_1.90.0-6 libboost-url1.90.0_1.90.0-6 libboost-wave-dev_1.90.0.2 libboost-wave1.90-dev_1.90.0-6 libboost-wave1.90.0_1.90.0-6 libboost1.90-dev_1.90.0-6 libboost1.90-tools-dev_1.90.0-6 libbrotli-dev_1.2.0-3 libbrotli1_1.2.0-3 libbsd0_0.12.2-3 libbz2-1.0_1.0.8-6+b2 libbz2-dev_1.0.8-6+b2 libc-bin_2.42-17 libc-dev-bin_2.42-17 libc-gconv-modules-extra_2.42-17 libc6_2.42-17 libc6-dev_2.42-17 libcairo-gobject2_1.18.4-3+b1 libcairo-script-interpreter2_1.18.4-3+b1 libcairo2_1.18.4-3+b1 libcairo2-dev_1.18.4-3+b1 libcap-ng0_0.9.3-1 libcap2_1:2.78-1 libcc1-0_16.1.0-2 libcdt6_14.1.2-1+b2 libcgraph8_14.1.2-1+b2 libclang-cpp21_1:21.1.8-7+b3 libclang1-21_1:21.1.8-7+b3 libcloudproviders0_0.4.0-2+b1 libcolord2_1.4.8-3 libcom-err2_1.47.4-1 libcommons-logging-java_1.3.0-2 libcommons-parent-java_56-1 libcoordgen-dev_3.0.2-4 libcoordgen3_3.0.2-4 libcrypt-dev_1:4.5.1-1+b1 libcrypt1_1:4.5.1-1+b1 libctf-nobfd0_2.46.50.20260617-1 libctf0_2.46.50.20260617-1 libcups2t64_2.4.18-1 libcurl4t64_8.21.0-1 libdatrie1_0.2.14-1+b1 libdav1d7_1.5.3-1+b2 libdb5.3t64_5.3.28+dfsg2-11+b1 libdbus-1-3_1.16.2-5+b1 libdconf1_0.49.0-4+b1 libde265-0_1.0.18-1 libdebconfclient0_0.283 libdebhelper-perl_14.2 libdecor-0-0_0.2.5-1+b1 libdeflate0_1.25-1 libdpkg-perl_1.23.7 libdrm-amdgpu1_2.4.134-2 libdrm-common_2.4.134-2 libdrm-intel1_2.4.134-2 libdrm2_2.4.134-2 libedit2_3.1-20260512-1 libeigen3-dev_5.0.1-1~exp1 libelf1t64_0.195-1 libepoxy0_1.5.10-2+b2 libexpat1_2.8.2-1 libexpat1-dev_2.8.2-1 libffi-dev_3.5.2-4 libffi8_3.5.2-4 libfile-stripnondeterminism-perl_1.15.1-1 libflac14_1.5.0+ds-5+b1 libfmt10_10.1.1+ds1-4+b2 libfontbox-java_1:1.8.16-5 libfontconfig-dev_2.17.1-5 libfontconfig1_2.17.1-5 libfontenc1_1:1.1.8-1+b3 libfreetype-dev_2.14.3+dfsg-1 libfreetype6_2.14.3+dfsg-1 libfribidi0_1.0.16-5+b1 libgav1-2_0.20.0-2+b1 libgbm1_26.1.2-1 libgcc-15-dev_15.3.0-1 libgcc-s1_16.1.0-2 libgd3_2.3.3-13+b2 libgdbm-compat4t64_1.26-1+b2 libgdbm6t64_1.26-1+b2 libgdk-pixbuf-2.0-0_2.44.6+dfsg-2 libgdk-pixbuf2.0-common_2.44.6+dfsg-2 libgfortran-15-dev_15.3.0-1 libgfortran5_16.1.0-2 libgio-2.0-dev_2.88.2-1 libgio-2.0-dev-bin_2.88.2-1 libgirepository-2.0-0_2.88.2-1 libgl-dev_1.7.0-3+b1 libgl1_1.7.0-3+b1 libgl1-mesa-dri_26.1.2-1 libglib2.0-0t64_2.88.2-1 libglib2.0-bin_2.88.2-1 libglib2.0-data_2.88.2-1 libglib2.0-dev_2.88.2-1 libglib2.0-dev-bin_2.88.2-1 libglu1-mesa_9.0.2-1.1+b4 libglu1-mesa-dev_9.0.2-1.1+b4 libglvnd0_1.7.0-3+b1 libglx-dev_1.7.0-3+b1 libglx-mesa0_26.1.2-1 libglx0_1.7.0-3+b1 libglycin-2-0_2.1.5+ds-2 libgmp10_2:6.3.0+dfsg-5+b2 libgnutls30t64_3.8.13-1 libgomp1_16.1.0-2 libgprofng0_2.46.50.20260617-1 libgraphite2-3_1.3.15-2 libgs-common_10.07.1~dfsg-1 libgs10_10.07.1~dfsg-1 libgs10-common_10.07.1~dfsg-1 libgssapi-krb5-2_1.22.1-3 libgtk-3-0t64_3.24.52-1 libgtk-3-common_3.24.52-1 libgvc7_14.1.2-1+b2 libgvplugin-gd8_14.1.2-1+b2 libgvplugin-pango8_14.1.2-1+b2 libgvpr2_14.1.2-1+b2 libharfbuzz-subset0_12.3.2-2+b2 libharfbuzz0b_12.3.2-2+b2 libheif-plugin-dav1d_1.21.2-4 libheif-plugin-libde265_1.21.2-4 libheif1_1.21.2-4 libhogweed6t64_3.10.2-1+b1 libhwloc-dev_2.14.0-2 libhwloc15_2.14.0-2 libhwy1t64_1.3.0-2+b1 libice-dev_2:1.1.1-1+b2 libice6_2:1.1.1-1+b2 libicu78_78.3-2 libidn12_1.44-1 libidn2-0_2.3.8-5 libijs-0.35_0.35-16+b2 libimagequant0_4.4.1-1+b2 libinchi-dev_1.07.3+dfsg-2 libinchi1.07_1.07.3+dfsg-2 libisl23_0.27-2 libitm1_16.1.0-2 libjansson4_2.15.0-1 libjbig0_2.1-6.1+b3 libjbig2dec0_0.20-1+b4 libjpeg62-turbo_1:3.1.3-4 libjs-sphinxdoc_9.1.0-4 libjsoncpp26_1.9.7-4 libjxl0.11_0.11.2-5 libk5crypto3_1.22.1-3 libkeyutils1_1.6.3-6+b2 libkpathsea6_2026.20260303.78225+ds-4 libkrb5-3_1.22.1-3 libkrb5support0_1.22.1-3 liblcms2-2_2.19.1-1 libldap2_2.6.13+dfsg-1 liblerc4_4.1.0+ds-1 libllvm21_1:21.1.8-7+b3 libltdl-dev_2.5.4-11 libltdl7_2.5.4-11 liblz4-1_1.10.0-10 liblzma-dev_5.8.3-1 liblzma5_5.8.3-1 liblzo2-2_2.10-3+b2 libmaeparser-dev_1.3.3-4+b1 libmaeparser1_1.3.3-4+b1 libmagic-mgc_1:5.47-4 libmagic1t64_1:5.47-4 libmd0_1.2.0-2 libmount-dev_2.42.2-1 libmount1_2.42.2-1 libmp3lame0_3.101~svn6531+dfsg-1 libmpc3_1.3.1-3 libmpfi0_1.5.4+ds-5 libmpfr6_4.2.2-3 libmpg123-0t64_1.33.6-1 libmpich-dev_5.0.1-5 libmpich12_5.0.1-5 libncursesw6_6.6+20251231-1+b1 libnettle8t64_3.10.2-1+b1 libnghttp2-14_1.69.0-1 libnghttp3-9_1.15.0-1 libngtcp2-16_1.22.1-1 libngtcp2-crypto-ossl0_1.22.1-1 libnotify4_0.8.8-1+b1 libnuma-dev_2.0.19-1+b2 libnuma1_2.0.19-1+b2 libogg0_1.3.6-2+b1 libopengl-dev_1.7.0-3+b1 libopengl0_1.7.0-3+b1 libopenjp2-7_2.5.4-1.1 libopus0_1.6.1-1+b1 libp11-kit0_0.26.2-3 libpam-modules_1.7.0-6 libpam-modules-bin_1.7.0-6 libpam-runtime_1.7.0-6 libpam0g_1.7.0-6 libpango-1.0-0_1.57.1-2 libpangocairo-1.0-0_1.57.1-2 libpangoft2-1.0-0_1.57.1-2 libpaper-utils_2.2.5-0.4 libpaper2_2.2.5-0.4 libpathplan4_14.1.2-1+b2 libpciaccess0_0.17-3+b4 libpcre2-16-0_10.46-1+b2 libpcre2-32-0_10.46-1+b2 libpcre2-8-0_10.46-1+b2 libpcre2-dev_10.46-1+b2 libpcre2-posix3_10.46-1+b2 libpdfbox-java_1:1.8.16-5 libperl-dev_5.40.1-8 libperl5.40_5.40.1-8 libpipeline1_1.5.8-3 libpixman-1-0_0.46.4-1+b2 libpixman-1-dev_0.46.4-1+b2 libpkgconf7_2.5.1-4 libpng-dev_1.6.58-1 libpng16-16t64_1.6.58-1 libpotrace0_1.16-2+b3 libproc2-0_2:4.0.4-9+b2 libpsl5t64_0.22.0-1 libptexenc1_2026.20260303.78225+ds-4 libpulse0_17.0+dfsg1-2.1+b1 libpython3-dev_3.14.6-1 libpython3-stdlib_3.14.6-1 libpython3.13-minimal_3.13.14-1 libpython3.13-stdlib_3.13.14-1 libpython3.14_3.14.6-1 libpython3.14-dev_3.14.6-1 libpython3.14-minimal_3.14.6-1 libpython3.14-stdlib_3.14.6-1 libquadmath0_16.1.0-2 librav1e0.8_0.8.1-10 libreadline8t64_8.3-4 librhash1_1.4.6-1.1+b1 librsvg2-2_2.62.1+dfsg-1 libsasl2-2_2.1.28+dfsg1-11 libsasl2-modules-db_2.1.28+dfsg1-11 libsdl2-2.0-0_2.32.70+ds-1 libsdl3-0_3.4.10+ds-1 libseccomp2_2.6.0-2+b1 libselinux-dev_3.10-1 libselinux1_3.10-1 libsensors-config_1:3.6.2-2 libsensors5_1:3.6.2-2+b2 libsepol-dev_3.10-1 libsepol2_3.10-1 libsframe3_2.46.50.20260617-1 libsharpyuv0_1.5.0-0.1+b2 libsm-dev_2:1.2.6-1+b2 libsm6_2:1.2.6-1+b2 libsmartcols1_2.42.2-1 libsndfile1_1.2.2-4+b1 libspdlog1.15_1:1.15.3+ds-1+b2 libsqlite3-0_3.53.3-1 libssh2-1t64_1.11.1-4 libssl3t64_3.6.3-1 libstdc++-15-dev_15.3.0-1 libstdc++6_16.1.0-2 libsvtav1enc4_4.1.0+dfsg-1 libsynctex2_2026.20260303.78225+ds-4 libsysprof-capture-4-dev_50.0-3 libsystemd0_261-1 libtasn1-6_4.21.0-2+b1 libteckit0_2.5.13+ds-2 libtexlua53-5_2026.20260303.78225+ds-4 libtext-charwidth-perl_0.04-12 libtext-wrapi18n-perl_0.06-11 libthai-data_0.1.30-1 libthai0_0.1.30-1+b1 libtiff6_4.7.1-3 libtinfo6_6.6+20251231-1+b1 libtool_2.5.4-11 libubsan1_16.1.0-2 libuchardet0_0.0.8-2+b2 libudev1_261-1 libunistring5_1.4.2-1 libuuid1_2.42.2-1 libuv1t64_1.52.1-4 libvorbis0a_1.3.7-3+b2 libvorbisenc2_1.3.7-3+b2 libvulkan1_1.4.341.0-1 libwayland-client0_1.25.0-2 libwayland-cursor0_1.25.0-2 libwayland-egl1_1.25.0-2 libwebp7_1.5.0-0.1+b2 libwxbase3.2-1t64_3.2.9+dfsg-1+b1 libwxgtk-gl3.2-1t64_3.2.9+dfsg-1+b1 libwxgtk3.2-1t64_3.2.9+dfsg-1+b1 libwxgtk3.2-dev_3.2.9+dfsg-1+b1 libx11-6_2:1.8.13-1 libx11-data_2:1.8.13-1 libx11-dev_2:1.8.13-1 libx11-xcb1_2:1.8.13-1 libxapian30_1.4.31-2 libxau-dev_1:1.0.11-1+b2 libxau6_1:1.0.11-1+b2 libxaw7_2:1.0.16-1+b2 libxcb-dri3-0_1.17.0-2+b2 libxcb-glx0_1.17.0-2+b2 libxcb-present0_1.17.0-2+b2 libxcb-randr0_1.17.0-2+b2 libxcb-render0_1.17.0-2+b2 libxcb-render0-dev_1.17.0-2+b2 libxcb-shm0_1.17.0-2+b2 libxcb-shm0-dev_1.17.0-2+b2 libxcb-sync1_1.17.0-2+b2 libxcb-xfixes0_1.17.0-2+b2 libxcb1_1.17.0-2+b2 libxcb1-dev_1.17.0-2+b2 libxcomposite1_1:0.4.6-1+b2 libxcursor1_1:1.2.3-1+b2 libxdamage1_1:1.1.7-1+b1 libxdmcp-dev_1:1.1.5-2+b1 libxdmcp6_1:1.1.5-2+b1 libxdot4_14.1.2-1+b2 libxext-dev_2:1.3.4-1+b4 libxext6_2:1.3.4-1+b4 libxfixes3_1:6.0.0-2+b5 libxi6_2:1.8.2-2+b1 libxinerama1_2:1.1.4-3+b5 libxkbcommon0_1.13.1-1 libxml2-16_2.15.3+dfsg-1 libxml2-dev_2.15.3+dfsg-1 libxmu6_2:1.1.3-4+b1 libxpm4_1:3.5.19-1 libxrandr2_2:1.5.4-1+b4 libxrender-dev_1:0.9.12-1+b2 libxrender1_1:0.9.12-1+b2 libxres1_2:1.2.1-2 libxshmfence1_1.3.3-1+b2 libxss1_1:1.2.3-1+b4 libxt6t64_1:1.2.1-1.3+b2 libxtst6_2:1.2.5-1+b2 libxxf86vm1_1:1.1.4-2+b1 libxxhash0_0.8.3-2+b2 libyuv0_0.0.1922.20260106-1+b1 libz3-4_4.13.3-1.1 libzstd1_1.5.7+dfsg-3+b2 linux-libc-dev_7.0.13-1 m4_1.4.21-1 make_4.4.1-3 man-db_2.13.1-1 mawk_1.3.4.20260302-1 media-types_14.0.0 mesa-libgallium_26.1.2-1 mpi-default-bin_1.20 mpi-default-dev_1.20 mpich_5.0.1-5 native-architecture_0.2.6 ncurses-base_6.6+20251231-1 ncurses-bin_6.6+20251231-1+b1 netbase_6.5 openssl-provider-legacy_3.6.3-1 patch_2.8-2 perl_5.40.1-8 perl-base_5.40.1-8 perl-modules-5.40_5.40.1-8 pkgconf_2.5.1-4 pkgconf-bin_2.5.1-4 po-debconf_1.0.22 poppler-data_0.4.12-1 preview-latex-style_13.2-1.1 procps_2:4.0.4-9+b2 python3_3.14.6-1 python3-all_3.14.6-1 python3-autocommand_2.2.2-4 python3-dev_3.14.6-1 python3-inflect_7.5.0-1 python3-jaraco.context_6.0.1-2 python3-jaraco.functools_4.1.0-1 python3-jaraco.text_4.0.0-1 python3-minimal_3.14.6-1 python3-more-itertools_10.8.0-1 python3-packaging_26.2-2 python3-pkg-resources_78.1.1-0.1 python3-setuptools_78.1.1-0.1 python3-typeguard_4.4.4-2 python3-typing-extensions_4.15.0-2 python3-zipp_3.23.0-1 python3.13_3.13.14-1 python3.13-minimal_3.13.14-1 python3.14_3.14.6-1 python3.14-dev_3.14.6-1 python3.14-minimal_3.14.6-1 rapidjson-dev_1.1.0+dfsg2-7.6 readline-common_8.3-4 rpcsvc-proto_1.4.4-1 sed_4.9-3 sensible-utils_0.0.26 shared-mime-info_2.4-5+b3 swig_4.4.1-2 systemd-standalone-tmpfiles_261.1-2 sysvinit-utils_3.18-1 t1utils_1.41-4 tar_1.35+dfsg-4 tex-common_6.20 texlive-base_2026.20260527-3 texlive-binaries_2026.20260303.78225+ds-4 texlive-latex-base_2026.20260527-3 texlive-latex-extra_2026.20260527-1 texlive-latex-recommended_2026.20260527-3 texlive-pictures_2026.20260527-3 tzdata_2026b-1 ucf_3.0056 util-linux_2.42.2-1 uuid-dev_2.42.2-1 wx-common_3.2.9+dfsg-1+b1 wx3.2-headers_3.2.9+dfsg-1 x11-common_1:7.7+26 x11proto-dev_2025.1-1 xdg-utils_1.2.1-2 xfonts-encodings_1:1.0.4-2.2 xfonts-utils_1:7.7+7 xkb-data_2.47-1 xorg-sgml-doctools_1:1.12.1-1 xtrans-dev_1.6.0-1 xz-utils_5.8.3-1 zlib1g_1:1.3.dfsg+really1.3.2-3 zlib1g-dev_1:1.3.dfsg+really1.3.2-3 +------------------------------------------------------------------------------+ | Build Mon, 29 Jun 2026 13:28:22 +0000 | +------------------------------------------------------------------------------+ Unpack source ------------- -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: openbabel Binary: openbabel, openbabel-gui, libopenbabel-dev, libopenbabel8, libopenbabel-doc, python3-openbabel, libchemistry-openbabel-perl Architecture: any all Version: 3.2.0+dfsg-1~exp Maintainer: Debichem Team Uploaders: Michael Banck , Daniel Leidert , Andrius Merkys Homepage: https://openbabel.org Standards-Version: 4.7.2 Vcs-Browser: https://salsa.debian.org/debichem-team/openbabel Vcs-Git: https://salsa.debian.org/debichem-team/openbabel.git Testsuite: autopkgtest Build-Depends: cmake, debhelper-compat (= 13), dh-python, doxygen, ghostscript, graphviz, libboost-all-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev (>= 5), libinchi-dev, libmaeparser-dev, libperl-dev, libwxgtk3.2-dev, libxml2-dev, pkgconf, python3-all, python3-dev, python3-setuptools, rapidjson-dev, swig, texlive-binaries, texlive-latex-base, texlive-latex-extra, zlib1g-dev Package-List: libchemistry-openbabel-perl deb perl optional arch=any libopenbabel-dev deb libdevel optional arch=any libopenbabel-doc deb doc optional arch=all libopenbabel8 deb libs optional arch=any openbabel deb science optional arch=any openbabel-gui deb science optional arch=any python3-openbabel deb python optional arch=any Checksums-Sha1: 4166a731502954fcd2a5e64508f066921c162a88 20938620 openbabel_3.2.0+dfsg.orig.tar.xz 8b5437984e41da6cf5779a3ff36157b1d04dac4c 19120 openbabel_3.2.0+dfsg-1~exp.debian.tar.xz Checksums-Sha256: 6e26bfdcf081f61f3198434e52ee90d6963dc7750b15bc2eb3be863a54e13d8f 20938620 openbabel_3.2.0+dfsg.orig.tar.xz a05ceb6efb62e37c5f81fc91611e7d0946ccc0222b79616b93cedcbce1745a79 19120 openbabel_3.2.0+dfsg-1~exp.debian.tar.xz Files: 26ff3ac145600a1db24ce7d6a858b4bd 20938620 openbabel_3.2.0+dfsg.orig.tar.xz 01200c0815f86f0e37f20647a32d3c60 19120 openbabel_3.2.0+dfsg-1~exp.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJGBAEBCgAwFiEEdyKS9veshfrgQdQe5fQ/nCc08ocFAmohPUwSHG1lcmt5c0Bk ZWJpYW4ub3JnAAoJEOX0P5wnNPKHgAMQAICW9vesRU+Z7Gm+KMStjQIW8XCr2uO/ /19EshWRBbr1lUs9A3LASPrAhdbDfefUIfeYWa1WSx9rbtGqjMq9dopgl/IjTAtW 6ZYRl0bOX3oxOSMo7scnOfRhiNmhypw2xOJxztfMSyhk4k8pFO6qT/nOHLmJesgf MwBsCwC5+ZpAUhmNb9ANAqQKaJvWvBdUviTy0OMKhg+F1ouQ8g1zbLQpY87TIwZh qUb8W5Y9l43gdeaw/QCI+Dp+J+bGrUvaT61BFwxP+zMsTXKCyaTZTi6rY0jF+607 JveuY4StjOz0lgXLw0KA+JWEjs+v54/YAOnrUJX6QQFwqVb2Mc63DqMczLwtpbl1 8HrN744XQ5nihF7a/5B1+da12BW/y7m08tBNaJJlPOgQaa/SPg2BDqHMU6ExPYcj pLXiP1sNnmeDJQzBPiT2TF59K+DCfQLSUMJT0VVx5XKNO9Wq1HXOlF2vYlCYjMo/ XD42Ivt+DpAPiJAs3BEXcRRSujxX+CkSjMlEzamXCJt0Z6RdVMguOfwlFCv1B8aQ pKkiZntm1ns9cZIBS4oGgRjM+CzwwWwCkAZ5HbjzbsttwL0zv2/tuP7mSyluU+Rg uvQUR1brPyBw1K9ahSH/lMTgeH8y1UbGFwSkjUiEdpK8xNFMXxNVEPUYkfH4Fb4k /n8b7iZjDwRk =Nm5I -----END PGP SIGNATURE----- dpkg-source: warning: cannot verify inline signature for ./openbabel_3.2.0+dfsg-1~exp.dsc: missing OpenPGP keyrings dpkg-source: info: verifying ./openbabel_3.2.0+dfsg-1~exp.dsc dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-keyring.pgp dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-tag2upload.pgp dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-nonupload.pgp dpkg-source: info: skipping absent keyring /usr/share/keyrings/debian-maintainers.pgp dpkg-source: info: extracting openbabel in /build/reproducible-path/openbabel-3.2.0+dfsg dpkg-source: info: unpacking openbabel_3.2.0+dfsg.orig.tar.xz dpkg-source: info: unpacking openbabel_3.2.0+dfsg-1~exp.debian.tar.xz dpkg-source: info: using patch list from debian/patches/series dpkg-source: info: applying remove_link_top.diff dpkg-source: info: applying add-ctime.patch dpkg-source: info: applying remove-CMAKE_CXX_STANDARD.patch dpkg-source: info: applying no-fatal-warnings.patch dpkg-source: info: applying use-system-inchi.patch Check disk space ---------------- Sufficient free space for build Hack binNMU version ------------------- Created changelog entry for binNMU version 3.2.0+dfsg-1~exp+b1 User Environment ---------------- APT_CONFIG=/var/lib/sbuild/apt.conf DEB_BUILD_OPTIONS=parallel=6 HOME=/sbuild-nonexistent LANG=C.UTF-8 LC_ALL=C.UTF-8 LC_COLLATE=C.UTF-8 LC_CTYPE=C.UTF-8 LOGNAME=sbuild PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games SHELL=/bin/sh SOURCE_DATE_EPOCH=1782646238 USER=sbuild dpkg-buildpackage ----------------- Command: dpkg-buildpackage --sanitize-env -us -uc -B dpkg-buildpackage: info: source package openbabel dpkg-buildpackage: info: source version 3.2.0+dfsg-1~exp+b1 dpkg-buildpackage: info: source distribution experimental dpkg-buildpackage: info: source changed by all / amd64 / i386 Build Daemon (x86-conova-02) dpkg-source --before-build . dpkg-buildpackage: info: host architecture i386 debian/rules clean dh clean --with=python3 --builddirectory=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir dh_auto_clean -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_autoreconf_clean -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_clean -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules binary-arch dh binary-arch --with=python3 --builddirectory=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir dh_update_autotools_config -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_autoreconf -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_auto_configure -- -DCMAKE_BUILD_TYPE=None -DLIB_SUFFIX=/i386-linux-gnu -DPYTHON_BINDINGS=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS=ON -DOBPERL_INSTALLDIRS=vendor -DRUN_SWIG=ON -DCMAKE_SKIP_RPATH=ON -DBUILD_GUI=ON -DENABLE_OPENMP=ON -DBUILD_DOCS=ON -DOPENBABEL_USE_SYSTEM_INCHI=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 cd builddir && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=i686-linux-gnu-pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_C_COMPILER=/usr/bin/i686-linux-gnu-gcc -DCMAKE_CXX_COMPILER=/usr/bin/i686-linux-gnu-g\+\+ -DPKG_CONFIG_EXECUTABLE=/usr/bin/i686-linux-gnu-pkg-config -DPKGCONFIG_EXECUTABLE=/usr/bin/i686-linux-gnu-pkg-config -DCMAKE_INSTALL_LIBDIR=lib/i386-linux-gnu -DCMAKE_BUILD_TYPE=None -DLIB_SUFFIX=/i386-linux-gnu -DPYTHON_BINDINGS=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS=ON -DOBPERL_INSTALLDIRS=vendor -DRUN_SWIG=ON -DCMAKE_SKIP_RPATH=ON -DBUILD_GUI=ON -DENABLE_OPENMP=ON -DBUILD_DOCS=ON -DOPENBABEL_USE_SYSTEM_INCHI=ON -DCMAKE_POLICY_VERSION_MINIMUM=3.5 .. -- The C compiler identification is GNU 15.3.0 -- The CXX compiler identification is GNU 15.3.0 -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working C compiler: /usr/bin/i686-linux-gnu-gcc - skipped -- Detecting C compile features -- Detecting C compile features - done -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/i686-linux-gnu-g++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done CMake Warning (dev) at /usr/share/cmake-4.3/Modules/FindPackageHandleStandardArgs.cmake:493 (message): The package name passed to find_package_handle_standard_args() (INCHI) does not match the name of the calling package (Inchi). This can lead to problems in calling code that expects find_package() result variables (e.g., `_FOUND`) to follow a certain pattern. Call Stack (most recent call first): cmake/modules/FindInchi.cmake:19 (find_package_handle_standard_args) CMakeLists.txt:146 (find_package) This warning is for project developers. Use -Wno-dev to suppress it. -- Found INCHI: /usr/lib/i386-linux-gnu/libinchi.so -- Found LibXml2: /usr/lib/i386-linux-gnu/libxml2.so (found version "2.15.3") -- Found ZLIB: /usr/lib/i386-linux-gnu/libz.so (found version "1.3.2") -- Found wxWidgets: -L/usr/lib/i386-linux-gnu;-pthread;;;-lwx_baseu-3.2;-lwx_gtk3u_core-3.2 (found version "3.2.9") -- Looking for conio.h -- Looking for conio.h - not found -- Looking for sys/time.h -- Looking for sys/time.h - found -- Looking for time.h -- Looking for time.h - found -- Looking for strings.h -- Looking for strings.h - found -- Looking for regex.h -- Looking for regex.h - found -- Looking for C++ include sstream -- Looking for C++ include sstream - found -- Looking for rint -- Looking for rint - not found -- Looking for snprintf -- Looking for snprintf - found -- Looking for sranddev -- Looking for sranddev - not found -- Looking for strcasecmp -- Looking for strcasecmp - found -- Looking for strncasecmp -- Looking for strncasecmp - found -- Looking for xdrstdio_create -- Looking for xdrstdio_create - not found -- Looking for dlopen in dl -- Looking for dlopen in dl - found -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of clock_t -- Check size of clock_t - done -- Performing Test SCANDIR_NEEDS_CONST -- Performing Test SCANDIR_NEEDS_CONST - Failed -- Performing Test HAVE_GCC_VISIBILITY -- Performing Test HAVE_GCC_VISIBILITY - Success Using built-in specs. COLLECT_GCC=/usr/bin/i686-linux-gnu-gcc COLLECT_LTO_WRAPPER=/usr/libexec/gcc/i686-linux-gnu/15/lto-wrapper Target: i686-linux-gnu Configured with: ../src/configure -v --with-pkgversion='Debian 15.3.0-1' --with-bugurl=file:///usr/share/doc/gcc-15/README.Bugs --enable-languages=c,ada,c++,go,d,fortran,objc,obj-c++,m2,rust,algol68 --prefix=/usr --with-gcc-major-version-only --program-suffix=-15 --program-prefix=i686-linux-gnu- --enable-shared --enable-linker-build-id --libexecdir=/usr/libexec --without-included-gettext --enable-threads=posix --libdir=/usr/lib --enable-nls --enable-bootstrap --enable-clocale=gnu --enable-libstdcxx-debug --enable-libstdcxx-time=yes --with-default-libstdcxx-abi=new --enable-libstdcxx-backtrace --enable-gnu-unique-object --disable-vtable-verify --enable-plugin --enable-default-pie --with-system-zlib --enable-libphobos-checking=release --with-target-system-zlib=auto --enable-objc-gc=auto --enable-targets=all --enable-multiarch --disable-werror --with-arch-32=i686 --with-multilib-list=m32,m64,mx32 --enable-multilib --with-tune=generic --enable-checking=release --build=i686-linux-gnu --host=i686-linux-gnu --target=i686-linux-gnu Thread model: posix Supported LTO compression algorithms: zlib zstd gcc version 15.3.0 (Debian 15.3.0-1) CMake Warning (dev) at CMakeLists.txt:319 (find_package): Policy CMP0167 is not set: The FindBoost module is removed. Run "cmake --help-policy CMP0167" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Found Boost: /usr/lib/i386-linux-gnu/cmake/Boost-1.90.0/BoostConfig.cmake (found version "1.90.0") found components: program_options iostreams -- Found OpenMP_C: -fopenmp (found version "4.5") -- Found OpenMP_CXX: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") CMake Warning (dev) at CMakeLists.txt:483 (find_package): Policy CMP0167 is not set: The FindBoost module is removed. Run "cmake --help-policy CMP0167" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Found Boost: /usr/lib/i386-linux-gnu/cmake/Boost-1.90.0/BoostConfig.cmake (found version "1.90.0") found components: filesystem iostreams unit_test_framework -- maeparser include dir set as '/usr/include' -- maeparser libraries set as '/usr/lib/i386-linux-gnu/libmaeparser.so' -- Maestro formats will be supported. Using MaeParser libraries at /usr/lib/i386-linux-gnu/libmaeparser.so. -- coordgen include dir set as /usr/include -- coordgen libraries set as '/usr/lib/i386-linux-gnu/libcoordgen.so' -- Coordinate generation with Coordgen will be supported. Using Coordgen libraries at /usr/lib/i386-linux-gnu/libcoordgen.so. -- Found PkgConfig: /usr/bin/i686-linux-gnu-pkg-config (found version "2.5.1") -- Found RapidJSON: /usr/include (found suitable version "1.1.0", minimum required is "1.1.0") -- JSON formats will be supported. Using RapidJSON 1.1.0 at /usr/include -- Checking for module 'cairo' -- Found cairo, version 1.18.4 -- Found Cairo: /usr/lib/i386-linux-gnu/libcairo.so -- Cairo found. PNG output will be supported. -- Found Perl: /usr/bin/perl (found version "5.40.1") -- Found Doxygen: /usr/bin/doxygen (found version "1.15.0") found components: doxygen dot CMake Warning (dev) at src/CMakeLists.txt:6 (find_package): Policy CMP0167 is not set: The FindBoost module is removed. Run "cmake --help-policy CMP0167" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Could NOT find Boost: missing: system (found /usr/lib/i386-linux-gnu/cmake/Boost-1.90.0/BoostConfig.cmake (found suitable version "1.90.0", minimum required is "1.45.0")) -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE CMake Warning (dev) at tools/CMakeLists.txt:6 (find_package): Policy CMP0167 is not set: The FindBoost module is removed. Run "cmake --help-policy CMP0167" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Found Boost: /usr/lib/i386-linux-gnu/cmake/Boost-1.90.0/BoostConfig.cmake (found version "1.90.0") found components: program_options iostreams -- Looking for getopt -- Looking for getopt - found -- Attempting to build the GUI -- wxWidgets found => GUI will be built -- Found Python: /usr/bin/python3 (found version "3.14.6") found components: Interpreter -- Found SWIG: /usr/bin/swig (found version "4.4.1") -- Found SWIG: /usr/bin/swig (found suitable version "4.4.1", minimum required is "2.0") -- Found Python: /usr/bin/python3 (found version "3.14.6") found components: Interpreter Development Development.Module Development.Embed -- Python bindings will be compiled -- Found PerlLibs: /usr/lib/i386-linux-gnu/libperl.so.5.40 (found version "5.40.1") -- Perl bindings will be compiled -- Configuring done (4.4s) -- Generating done (0.5s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY FETCHCONTENT_FULLY_DISCONNECTED OBPERL_INSTALLDIRS PKGCONFIG_EXECUTABLE PYTHON_EXECUTABLE -- Build files have been written to: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_auto_build cd builddir && make -j6 INSTALL="install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/cmake -P /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/build/reproducible-path/openbabel-3.2.0+dfsg -B/build/reproducible-path/openbabel-3.2.0+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles /build/reproducible-path/openbabel-3.2.0+dfsg/builddir//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f data/CMakeFiles/data_headers.dir/build.make data/CMakeFiles/data_headers.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/data /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data/CMakeFiles/data_headers.dir/DependInfo.cmake "--color=" data_headers make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f data/CMakeFiles/data_headers.dir/build.make data/CMakeFiles/data_headers.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 0%] Generating atomtyp.h [ 0%] Generating bondtyp.h [ 1%] Generating types.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/atomtyp.txt AtomTypeData AtomTypeData > atomtyp.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bondtyp.txt BondTypeData BondTypeData > bondtyp.h [ 1%] Generating torlib.h [ 2%] Generating phmodeldata.h [ 2%] Generating resdata.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/types.txt TypesData TypesData > types.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/phmodel.txt PhModelData PhModelData > phmodeldata.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/resdata.txt ResidueData ResidueData > resdata.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/torlib.txt TorsionDefaults TorsionDefaults > torlib.h [ 2%] Generating atomizationenergies.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/atomization-energies.txt AtomicHeatOfFormationData AtomicHeatOfFormationData > atomizationenergies.h [ 2%] Generating spacegroups.h [ 2%] Generating ringtyp.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/space-groups.txt SpaceGroupsData SpaceGroupsData > spacegroups.h cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data && /usr/bin/perl /build/reproducible-path/openbabel-3.2.0+dfsg/data/bin2hex.pl /build/reproducible-path/openbabel-3.2.0+dfsg/data/ringtyp.txt RingTypeData RingTypeData > ringtyp.h make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 2%] Built target data_headers make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/CMakeFiles/openbabel.dir/DependInfo.cmake "--color=" openbabel make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.cpp.o [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/bond.cpp.o [ 2%] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.cpp.o [ 3%] Building CXX object src/CMakeFiles/openbabel.dir/atom.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/alias.cpp.o -MF CMakeFiles/openbabel.dir/alias.cpp.o.d -o CMakeFiles/openbabel.dir/alias.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/alias.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/base.cpp.o -MF CMakeFiles/openbabel.dir/base.cpp.o.d -o CMakeFiles/openbabel.dir/base.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/base.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bitvec.cpp.o -MF CMakeFiles/openbabel.dir/bitvec.cpp.o.d -o CMakeFiles/openbabel.dir/bitvec.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/bitvec.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bond.cpp.o -MF CMakeFiles/openbabel.dir/bond.cpp.o.d -o CMakeFiles/openbabel.dir/bond.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/bond.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/bondtyper.cpp.o -MF CMakeFiles/openbabel.dir/bondtyper.cpp.o.d -o CMakeFiles/openbabel.dir/bondtyper.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/bondtyper.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/atom.cpp.o -MF CMakeFiles/openbabel.dir/atom.cpp.o.d -o CMakeFiles/openbabel.dir/atom.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/atom.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/alias.h:20, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/alias.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/bondtyper.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bondtyper.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/bondtyper.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/atom.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/bond.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/bond.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/bond.cpp: In constructor ‘OpenBabel::OBBond::OBBond()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/bond.cpp:63:18: warning: ‘OpenBabel::OBBond::Visit’ is deprecated: Use OBBitVec objects instead to be fully thread-safe. [-Wdeprecated-declarations] 63 | OBBond::OBBond() /*: d(new OBBondPrivate)*/ | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:98:12: note: declared here 98 | bool Visit; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/bond.cpp:63:18: warning: ‘OpenBabel::OBBond::Visit’ is deprecated: Use OBBitVec objects instead to be fully thread-safe. [-Wdeprecated-declarations] 63 | OBBond::OBBond() /*: d(new OBBondPrivate)*/ | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:98:12: note: declared here 98 | bool Visit; | ^~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/atom.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/alias.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/builder.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/macrocycle.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/macrocycle.cpp.o -MF CMakeFiles/openbabel.dir/macrocycle.cpp.o.d -o CMakeFiles/openbabel.dir/macrocycle.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/macrocycle.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/canon.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/builder.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chains.cpp.o -MF CMakeFiles/openbabel.dir/chains.cpp.o.d -o CMakeFiles/openbabel.dir/chains.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/chains.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/builder.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/macrocycle.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/chains.cpp:34: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/canon.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/chargemodel.cpp [ 4%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/data.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/chargemodel.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/data_utilities.cpp.o -MF CMakeFiles/openbabel.dir/data_utilities.cpp.o.d -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/data_utilities.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/data.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptor.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/data_utilities.cpp:30: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/elements.cpp.o -MF CMakeFiles/openbabel.dir/elements.cpp.o.d -o CMakeFiles/openbabel.dir/elements.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/elements.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptor.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/fingerprint.cpp.o -MF CMakeFiles/openbabel.dir/fingerprint.cpp.o.d -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprint.cpp [ 5%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/format.cpp [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/generic.cpp.o -MF CMakeFiles/openbabel.dir/generic.cpp.o.d -o CMakeFiles/openbabel.dir/generic.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/generic.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:34: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} | ^~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} | ^~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/graphsym.cpp.o -MF CMakeFiles/openbabel.dir/graphsym.cpp.o.d -o CMakeFiles/openbabel.dir/graphsym.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/graphsym.cpp [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/grid.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/generic.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/generic.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp: In member function ‘double OpenBabel::OBFFConstraints::GetConstraintEnergy()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:526:53: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 526 | rab = OBForceField::VectorLengthDerivative(da, db); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:1569:19: note: declared here 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); | ^~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:543:54: warning: ‘static double OpenBabel::OBForceField::VectorAngleDerivative(OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 543 | theta = OBForceField::VectorAngleDerivative(da, db, dc); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:1585:19: note: declared here 1585 | static double VectorAngleDerivative(vector3 &a, vector3 &b, vector3 &c); | ^~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:562:56: warning: ‘static double OpenBabel::OBForceField::VectorTorsionDerivative(OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 562 | theta = OBForceField::VectorTorsionDerivative(da, db, dc, dd); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:1618:19: note: declared here 1618 | static double VectorTorsionDerivative(vector3 &a, vector3 &b, vector3 &c, vector3 &d); | ^~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::SystematicRotorSearchInitialize(unsigned int, bool)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:1224:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 1224 | rl.SetFixAtoms(fixed); | ~~~~~~~~~~~~~~^~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:32: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:625:10: note: declared here 625 | void SetFixAtoms(OBBitVec &fix) | ^~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp: In member function ‘int OpenBabel::OBForceField::FastRotorSearch(bool)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:1345:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 1345 | rl.SetFixAtoms(fixed); | ~~~~~~~~~~~~~~^~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:625:10: note: declared here 625 | void SetFixAtoms(OBBitVec &fix) | ^~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp: In member function ‘void OpenBabel::OBForceField::RandomRotorSearchInitialize(unsigned int, unsigned int, bool)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:1492:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 1492 | rl.SetFixAtoms(fixed); | ~~~~~~~~~~~~~~^~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:625:10: note: declared here 625 | void SetFixAtoms(OBBitVec &fix) | ^~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp: In member function ‘void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefield.cpp:1678:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 1678 | rl.SetFixAtoms(fixed); | ~~~~~~~~~~~~~~^~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:625:10: note: declared here 625 | void SetFixAtoms(OBBitVec &fix) | ^~~~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/grid.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/grid.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} | ^~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} | ^~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/grid.cpp: In member function ‘void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/grid.cpp:82:5: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 82 | _ival=nullptr; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/grid.cpp:82:5: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 82 | _ival=nullptr; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/graphsym.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/graphsym.cpp:30: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 6%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/griddata.cpp.o -MF CMakeFiles/openbabel.dir/griddata.cpp.o.d -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/isomorphism.cpp.o -MF CMakeFiles/openbabel.dir/isomorphism.cpp.o.d -o CMakeFiles/openbabel.dir/isomorphism.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/isomorphism.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/kekulize.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/griddata.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h: In constructor ‘OpenBabel::OBFloatGrid::OBFloatGrid()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} | ^~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/isomorphism.cpp:3: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:115:21: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 115 | OBFloatGrid() : _ival(nullptr), _halfSpace(0.0) {} | ^~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h: In destructor ‘virtual OpenBabel::OBFloatGrid::~OBFloatGrid()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:11: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:118:28: warning: ‘OpenBabel::OBFloatGrid::_ival’ is deprecated [-Wdeprecated-declarations] 118 | if (_ival) delete [] _ival; | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:105:26: note: declared here 105 | OB_DEPRECATED int *_ival; //!< for integer values \deprecated | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp: In member function ‘void OpenBabel::OBGridData::GetOriginVector(double*) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp:194:24: warning: ‘void OpenBabel::OBFloatGrid::GetMin(double*)’ is deprecated: Use GetMin() instead [-Wdeprecated-declarations] 194 | d->floatGrid.GetMin(o); | ~~~~~~~~~~~~~~~~~~~^~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:132:10: note: declared here 132 | void GetMin(double *a) | ^~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp: In member function ‘void OpenBabel::OBGridData::SetLimits(const double*, const double*, const double*, const double*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/griddata.cpp:235:27: warning: ‘void OpenBabel::OBFloatGrid::SetLimits(const double*, const double*, const double*, const double*)’ is deprecated: Use vector version instead [-Wdeprecated-declarations] 235 | d->floatGrid.SetLimits(origin, x, y, z); | ~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/grid.h:229:10: note: declared here 229 | void SetLimits(const double origin[3], const double x[3], const double y[3], | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/kekulize.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/locale.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/locale.cpp.o -MF CMakeFiles/openbabel.dir/locale.cpp.o.d -o CMakeFiles/openbabel.dir/locale.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/locale.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/matrix.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/matrix.cpp.o -MF CMakeFiles/openbabel.dir/matrix.cpp.o.d -o CMakeFiles/openbabel.dir/matrix.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/matrix.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o -MF CMakeFiles/openbabel.dir/mcdlutil.cpp.o.d -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/mcdlutil.cpp [ 7%] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/molchrg.cpp.o -MF CMakeFiles/openbabel.dir/molchrg.cpp.o.d -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/molchrg.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/mcdlutil.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/molchrg.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/mol.cpp [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/obconversion.cpp [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/oberror.cpp.o -MF CMakeFiles/openbabel.dir/oberror.cpp.o.d -o CMakeFiles/openbabel.dir/oberror.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/oberror.cpp [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obfunctions.cpp.o -MF CMakeFiles/openbabel.dir/obfunctions.cpp.o.d -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/obfunctions.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/mol.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/mol.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obfunctions.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/obfunctions.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 8%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obiter.cpp.o -MF CMakeFiles/openbabel.dir/obiter.cpp.o.d -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/obiter.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obutil.cpp.o -MF CMakeFiles/openbabel.dir/obutil.cpp.o.d -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/obutil.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/obiter.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/obutil.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/op.cpp.o -MF CMakeFiles/openbabel.dir/op.cpp.o.d -o CMakeFiles/openbabel.dir/op.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/op.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/parsmart.cpp [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/patty.cpp.o -MF CMakeFiles/openbabel.dir/patty.cpp.o.d -o CMakeFiles/openbabel.dir/patty.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/patty.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/parsmart.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/parsmart.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/parsmart.cpp: In destructor ‘virtual OpenBabel::OBSmartsPattern::~OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/parsmart.cpp:1807:37: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 1807 | OBSmartsPattern::~OBSmartsPattern() | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/parsmart.cpp:1807:37: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 1807 | OBSmartsPattern::~OBSmartsPattern() | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/phmodel.cpp.o -MF CMakeFiles/openbabel.dir/phmodel.cpp.o.d -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/phmodel.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/patty.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/patty.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 9%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/plugin.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/phmodel.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/phmodel.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/pointgroup.cpp.o -MF CMakeFiles/openbabel.dir/pointgroup.cpp.o.d -o CMakeFiles/openbabel.dir/pointgroup.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/pointgroup.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/query.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/pointgroup.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rand.cpp.o -MF CMakeFiles/openbabel.dir/rand.cpp.o.d -o CMakeFiles/openbabel.dir/rand.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/query.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/query.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o -MF CMakeFiles/openbabel.dir/reactionfacade.cpp.o.d -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/reactionfacade.cpp [ 10%] Building CXX object src/CMakeFiles/openbabel.dir/residue.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/residue.cpp.o -MF CMakeFiles/openbabel.dir/residue.cpp.o.d -o CMakeFiles/openbabel.dir/residue.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/residue.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/residue.cpp:34: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/reactionfacade.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/ring.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/ring.cpp.o -MF CMakeFiles/openbabel.dir/ring.cpp.o.d -o CMakeFiles/openbabel.dir/ring.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/rotamer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotamer.cpp.o -MF CMakeFiles/openbabel.dir/rotamer.cpp.o.d -o CMakeFiles/openbabel.dir/rotamer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotamer.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotamer.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp: In constructor ‘OpenBabel::OBRingSearch::OBRingSearch()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:124:40: note: declared here 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) | ^~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:124:40: note: declared here 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) | ^~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:484:62: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 484 | OBRingSearch::OBRingSearch() : _d(new OBRingSearchPrivate()) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:124:40: note: declared here 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) | ^~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp: In destructor ‘OpenBabel::OBRingSearch::~OBRingSearch()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:521:31: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 521 | OBRingSearch::~OBRingSearch() | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:124:40: note: declared here 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) | ^~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/ring.cpp:521:31: warning: ‘OpenBabel::OBRingSearch::_bonds’ is deprecated [-Wdeprecated-declarations] 521 | OBRingSearch::~OBRingSearch() | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:124:40: note: declared here 124 | OB_DEPRECATED std::vector _bonds; //!< the internal list of closure bonds (deprecated) | ^~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotamer.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotor.cpp [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/spectrophore.cpp.o -MF CMakeFiles/openbabel.dir/spectrophore.cpp.o.d -o CMakeFiles/openbabel.dir/spectrophore.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/spectrophore.cpp [ 11%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/tautomer.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotor.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotor.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/spectrophore.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotor.cpp: In member function ‘bool OpenBabel::OBRotorList::SetEvalAtoms(OpenBabel::OBMol&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotor.cpp:335:28: warning: ‘void OpenBabel::OBRotor::SetEvalAtoms(OpenBabel::OBBitVec&)’ is deprecated [-Wdeprecated-declarations] 335 | rotor->SetEvalAtoms(eval); | ~~~~~~~~~~~~~~~~~~~^~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/rotor.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:435:10: note: declared here 435 | void SetEvalAtoms(OBBitVec &bv) { _evalatoms = bv; } | ^~~~~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/tautomer.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/tokenst.cpp.o -MF CMakeFiles/openbabel.dir/tokenst.cpp.o.d -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/tokenst.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/transform.cpp.o -MF CMakeFiles/openbabel.dir/transform.cpp.o.d -o CMakeFiles/openbabel.dir/transform.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/transform.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/typer.cpp.o -MF CMakeFiles/openbabel.dir/typer.cpp.o.d -o CMakeFiles/openbabel.dir/typer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/typer.cpp [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/obmolecformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/transform.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/conformersearch.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/typer.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/transform.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/typer.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/conformersearch.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/conformersearch.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/conformersearch.h:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 12%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/confsearch.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/distgeom.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/confsearch.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/confsearch.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -MF CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o.d -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/dlhandler_unix.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/src/confsearch.cpp: In member function ‘int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/confsearch.cpp:361:19: warning: ‘void OpenBabel::OBRotorList::SetFixAtoms(OpenBabel::OBBitVec&)’ is deprecated: See SetFixedBonds() [-Wdeprecated-declarations] 361 | rl.SetFixAtoms(fixed); | ~~~~~~~~~~~~~~^~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:625:10: note: declared here 625 | void SetFixAtoms(OBBitVec &fix) | ^~~~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/distgeom.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/distgeom.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/depict.cpp [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/svgpainter.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/depict.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/depict.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 13%] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -MF CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o.d -o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/matrix3x3.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/matrix3x3.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -MF CMakeFiles/openbabel.dir/math/spacegroup.cpp.o.d -o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/spacegroup.cpp [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/transform3d.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/spacegroup.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/vector3.cpp.o -MF CMakeFiles/openbabel.dir/math/vector3.cpp.o.d -o CMakeFiles/openbabel.dir/math/vector3.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/vector3.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/transform3d.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/vector3.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/math/align.cpp.o -MF CMakeFiles/openbabel.dir/math/align.cpp.o.d -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/align.cpp [ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -MF CMakeFiles/openbabel.dir/stereo/stereo.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/stereo.cpp [ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/tetranonplanar.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/align.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/math/align.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o [ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/tetraplanar.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/squareplanar.cpp [ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -MF CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/cistrans.cpp [ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/tetrahedral.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/cistrans.cpp:3: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/perception.cpp [ 16%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o -MF CMakeFiles/openbabel.dir/stereo/facade.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/facade.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/facade.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/perception.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/perception.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 16%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/gen3dstereohelper.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/facade.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/stereo/gen3dstereohelper.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 16%] Linking CXX shared library ../lib/i386-linux-gnu/libopenbabel.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/openbabel.dir/link.d -Wl,-soname,libopenbabel.so.8 -o ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 CMakeFiles/openbabel.dir/alias.cpp.o CMakeFiles/openbabel.dir/atom.cpp.o CMakeFiles/openbabel.dir/base.cpp.o CMakeFiles/openbabel.dir/bitvec.cpp.o CMakeFiles/openbabel.dir/bond.cpp.o CMakeFiles/openbabel.dir/bondtyper.cpp.o CMakeFiles/openbabel.dir/builder.cpp.o CMakeFiles/openbabel.dir/macrocycle.cpp.o CMakeFiles/openbabel.dir/canon.cpp.o CMakeFiles/openbabel.dir/chains.cpp.o CMakeFiles/openbabel.dir/chargemodel.cpp.o CMakeFiles/openbabel.dir/data.cpp.o CMakeFiles/openbabel.dir/data_utilities.cpp.o CMakeFiles/openbabel.dir/descriptor.cpp.o CMakeFiles/openbabel.dir/elements.cpp.o CMakeFiles/openbabel.dir/fingerprint.cpp.o CMakeFiles/openbabel.dir/forcefield.cpp.o CMakeFiles/openbabel.dir/format.cpp.o CMakeFiles/openbabel.dir/generic.cpp.o CMakeFiles/openbabel.dir/graphsym.cpp.o CMakeFiles/openbabel.dir/grid.cpp.o CMakeFiles/openbabel.dir/griddata.cpp.o CMakeFiles/openbabel.dir/isomorphism.cpp.o CMakeFiles/openbabel.dir/kekulize.cpp.o CMakeFiles/openbabel.dir/locale.cpp.o CMakeFiles/openbabel.dir/matrix.cpp.o CMakeFiles/openbabel.dir/mcdlutil.cpp.o CMakeFiles/openbabel.dir/molchrg.cpp.o CMakeFiles/openbabel.dir/mol.cpp.o CMakeFiles/openbabel.dir/obconversion.cpp.o CMakeFiles/openbabel.dir/oberror.cpp.o CMakeFiles/openbabel.dir/obfunctions.cpp.o CMakeFiles/openbabel.dir/obiter.cpp.o CMakeFiles/openbabel.dir/obutil.cpp.o CMakeFiles/openbabel.dir/op.cpp.o CMakeFiles/openbabel.dir/parsmart.cpp.o CMakeFiles/openbabel.dir/patty.cpp.o CMakeFiles/openbabel.dir/phmodel.cpp.o CMakeFiles/openbabel.dir/plugin.cpp.o CMakeFiles/openbabel.dir/pointgroup.cpp.o CMakeFiles/openbabel.dir/query.cpp.o CMakeFiles/openbabel.dir/rand.cpp.o CMakeFiles/openbabel.dir/reactionfacade.cpp.o CMakeFiles/openbabel.dir/residue.cpp.o CMakeFiles/openbabel.dir/ring.cpp.o CMakeFiles/openbabel.dir/rotamer.cpp.o CMakeFiles/openbabel.dir/rotor.cpp.o CMakeFiles/openbabel.dir/spectrophore.cpp.o CMakeFiles/openbabel.dir/tautomer.cpp.o CMakeFiles/openbabel.dir/tokenst.cpp.o CMakeFiles/openbabel.dir/transform.cpp.o CMakeFiles/openbabel.dir/typer.cpp.o CMakeFiles/openbabel.dir/obmolecformat.cpp.o CMakeFiles/openbabel.dir/conformersearch.cpp.o CMakeFiles/openbabel.dir/confsearch.cpp.o CMakeFiles/openbabel.dir/distgeom.cpp.o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o CMakeFiles/openbabel.dir/depict/depict.cpp.o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o CMakeFiles/openbabel.dir/math/transform3d.cpp.o CMakeFiles/openbabel.dir/math/vector3.cpp.o CMakeFiles/openbabel.dir/math/align.cpp.o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o CMakeFiles/openbabel.dir/stereo/tetraplanar.cpp.o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o CMakeFiles/openbabel.dir/stereo/cistrans.cpp.o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o CMakeFiles/openbabel.dir/stereo/perception.cpp.o CMakeFiles/openbabel.dir/stereo/facade.cpp.o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_symlink_library ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 ../lib/i386-linux-gnu/libopenbabel.so.8 ../lib/i386-linux-gnu/libopenbabel.so make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 16%] Built target openbabel make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake "--color=" plugin_descriptors make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake "--color=" plugin_fingerprints make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake "--color=" plugin_forcefields make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake "--color=" plugin_charges make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake "--color=" plugin_ops make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake "--color=" smilesformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 16%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o [ 16%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o [ 16%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprints/finger2.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o [ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldgaff.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/eem.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/addfilename.cpp [ 18%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/cansmidescriptor.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmilesformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/eem.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldgaff.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprints/finger2.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldgaff.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/cmpdfilter.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/addinindex.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/gasteiger.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/groupcontrib.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/addpolarh.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprints/finger3.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/gasteiger.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/groupcontrib.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/groupcontrib.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprints/finger3.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/addnonpolarh.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/none.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/none.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/canonical.cpp [ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/filters.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/mmff94.cpp [ 19%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprints/fingerecfp.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/canonical.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/filters.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/mmff94.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/fingerprints/fingerecfp.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/changecell.cpp [ 20%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/inchidescriptor.cpp [ 20%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/fromfile.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/changecell.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 21%] Linking CXX shared module ../lib/i386-linux-gnu/plugin_fingerprints.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/plugin_fingerprints.dir/link.d -o ../lib/i386-linux-gnu/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 21%] Built target plugin_fingerprints make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake "--color=" mdlformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 21%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/fromfile.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 22%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/smartsdescriptors.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:2897:35: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 2897 | snprintf(tcount, 10, "%d", hcount); | ^ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/ostream:42, from /usr/include/c++/15/iostream:43, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:24, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obmolecformat.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:23: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:2897:19: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 2 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:2897:35: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 2897 | snprintf(tcount, 10, "%d", hcount); | ^ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:2897:19: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 2 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp: In member function ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:2889:35: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 2889 | snprintf(tcount, 10, "%d", i); | ^ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector&, std::vector&, std::string&)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:2889:19: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 2 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ [ 22%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldghemical.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp: In member function ‘void OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::string&, OpenBabel::OBBitVec&, std::vector&, std::vector&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:3563:32: warning: ‘%d’ directive output may be truncated writing between 1 and 11 bytes into a region of size 8 [-Wformat-truncation=] 3563 | snprintf(digits, 8, "%d", bci->ringdigit); | ^~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:3563:31: note: directive argument in the range [-2147483648, 99] 3563 | snprintf(digits, 8, "%d", bci->ringdigit); | ^~~~ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘void OpenBabel::OBMol2Cansmi::ToCansmilesString(OpenBabel::OBCanSmiNode*, std::string&, OpenBabel::OBBitVec&, std::vector&, std::vector&)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smilesformat.cpp:3563:19: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 2 and 12 bytes into a destination of size 8 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ [ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/delpolarh.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/descriptors/smartsdescriptors.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldghemical.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldghemical.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldghemical.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 22%] Linking CXX shared module ../lib/i386-linux-gnu/plugin_descriptors.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/plugin_descriptors.dir/link.d -o ../lib/i386-linux-gnu/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 22%] Built target plugin_descriptors make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake "--color=" mol2format make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 22%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmol2format_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mol2format.cpp [ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/delnonpolarh.cpp [ 22%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/eqeq.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mol2format.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/eqeq.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/eqeq.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/gen2D.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp: In member function ‘std::string OpenBabel::MDLFormat::GetTimeDate()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp:1730:27: warning: ‘%02d’ directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=] 1730 | snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday, | ^~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp:1730:22: note: directive argument in the range [-2147483648, 2147483547] 1730 | snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday, | ^~~~~~~~~~~~~~~~~~~~~~ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/iomanip:47, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp:27: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘std::string OpenBabel::MDLFormat::GetTimeDate()’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdlformat.cpp:1730:13: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 11 and 56 bytes into a destination of size 11 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ [ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/fillUC.cpp [ 23%] Linking CXX shared module ../../lib/i386-linux-gnu/smilesformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/smilesformat.dir/link.d -o ../../lib/i386-linux-gnu/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 23%] Built target smilesformat [ 23%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/qeq.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/fillUC.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 24%] Linking CXX shared module ../../lib/i386-linux-gnu/mol2format.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/qeq.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/qeq.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mol2format.dir/link.d -o ../../lib/i386-linux-gnu/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 24%] Built target mol2format [ 24%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldmmff94.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldmmff94.cpp:35: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefieldmmff94.cpp:37: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/forcefield.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/forcefield.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 25%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/qtpie.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/qtpie.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/charges/qtpie.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/gen3d.cpp [ 26%] Linking CXX shared module ../../lib/i386-linux-gnu/mdlformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mdlformat.dir/link.d -o ../../lib/i386-linux-gnu/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 26%] Built target mdlformat make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake "--color=" pdbformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 26%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obfunctions.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/gen3d.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/largest.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:681:58: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 681 | snprintf(type_name, sizeof(type_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/ostream:42, from /usr/include/c++/15/iostream:43, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:24, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obmolecformat.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:17: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:681:21: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:701:70: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 701 | snprintf(padded_name, sizeof(padded_name), " %-3s", tmp); | ^ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:701:29: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp: In member function ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:739:35: warning: ‘%+d’ directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=] 739 | snprintf(scharge, 3, "%+d", charge); | ^~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767] 739 | snprintf(scharge, 3, "%+d", charge); | ^~~~~ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbformat.cpp:739:21: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 3 and 7 bytes into a destination of size 3 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ [ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/loader.cpp [ 26%] Linking CXX shared module ../../lib/i386-linux-gnu/pdbformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pdbformat.dir/link.d -o ../../lib/i386-linux-gnu/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 26%] Built target pdbformat [ 26%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.cpp: In member function ‘void OpenBabel::OBFFElectrostaticCalculationUFF::Compute()’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.cpp:516:49: warning: ‘static double OpenBabel::OBForceField::VectorLengthDerivative(OpenBabel::vector3&, OpenBabel::vector3&)’ is deprecated [-Wdeprecated-declarations] 516 | rab = OBForceField::VectorLengthDerivative(da, db); | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.h:24, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/forcefields/forcefielduff.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:1569:19: note: declared here 1569 | static double VectorLengthDerivative(vector3 &a, vector3 &b); | ^~~~~~~~~~~~~~~~~~~~~~ [ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/neutralize.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/neutralize.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opsplit.cpp make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake "--color=" inchiformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 26%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/inchiformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/inchiformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/optransform.cpp [ 28%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/getinchi.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/phmodel.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/optransform.h:19, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/optransform.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 28%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/partialcharges.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/partialcharges.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 28%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/readconformers.cpp make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake "--color=" asciiformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 28%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/asciiformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/asciiformat.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 28%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/unique.cpp [ 28%] Linking CXX shared module ../lib/i386-linux-gnu/plugin_forcefields.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1 [ 28%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/sort.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/plugin_forcefields.dir/link.d -o ../lib/i386-linux-gnu/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 28%] Built target plugin_forcefields make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake "--color=" copyformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 28%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcopyformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/copyformat.cpp [ 28%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/asciipainter.cpp [ 28%] Linking CXX shared module ../../lib/i386-linux-gnu/copyformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/copyformat.dir/link.d -o ../../lib/i386-linux-gnu/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 28%] Built target copyformat make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake "--color=" MNAformat [ 28%] Linking CXX shared module ../../lib/i386-linux-gnu/inchiformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 28%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/MNAformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/inchiformat.dir/link.d -o ../../lib/i386-linux-gnu/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 28%] Built target inchiformat make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake "--color=" molreport make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 29%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolreport_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/molreport.cpp [ 30%] Linking CXX shared module ../../lib/i386-linux-gnu/asciiformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/asciiformat.dir/link.d -o ../../lib/i386-linux-gnu/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Built target asciiformat make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake "--color=" nulformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnulformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/nulformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/MNAformat.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/molreport.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/MNAformat.cpp:37: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 30%] Linking CXX shared module ../../lib/i386-linux-gnu/nulformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/nulformat.dir/link.d -o ../../lib/i386-linux-gnu/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Built target nulformat make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake "--color=" painterformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/painterformat.cpp.o -MF CMakeFiles/painterformat.dir/painterformat.cpp.o.d -o CMakeFiles/painterformat.dir/painterformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/painterformat.cpp [ 30%] Linking CXX shared module ../../lib/i386-linux-gnu/molreport.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/molreport.dir/link.d -o ../../lib/i386-linux-gnu/molreport.so CMakeFiles/molreport.dir/molreport.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Built target molreport [ 30%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opisomorph.cpp make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake "--color=" povrayformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpovrayformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/povrayformat.dir/povrayformat.cpp.o -MF CMakeFiles/povrayformat.dir/povrayformat.cpp.o.d -o CMakeFiles/povrayformat.dir/povrayformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/povrayformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opisomorph.cpp:15: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/depict/depict.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/painterformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 30%] Linking CXX shared module ../../lib/i386-linux-gnu/MNAformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/query.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opisomorph.h:18, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opisomorph.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/MNAformat.dir/link.d -o ../../lib/i386-linux-gnu/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 30%] Built target MNAformat [ 31%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/commandpainter.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/povrayformat.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake "--color=" reportformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 31%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dreportformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/reportformat.dir/reportformat.cpp.o -MF CMakeFiles/reportformat.dir/reportformat.cpp.o.d -o CMakeFiles/reportformat.dir/reportformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/reportformat.cpp [ 31%] Linking CXX shared module ../../lib/i386-linux-gnu/painterformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/painterformat.dir/link.d -o ../../lib/i386-linux-gnu/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 31%] Built target painterformat [ 32%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/ophighlight.cpp make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake "--color=" svgformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 33%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsvgformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/svgformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/reportformat.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/ophighlight.cpp:16: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/ophighlight.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/depict/depict.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/svgformat.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 33%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/xout.cpp [ 34%] Linking CXX shared module ../../lib/i386-linux-gnu/povrayformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1 [ 34%] Linking CXX shared module ../../lib/i386-linux-gnu/reportformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/povrayformat.dir/link.d -o ../../lib/i386-linux-gnu/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Built target povrayformat make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake "--color=" textformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtextformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/textformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/reportformat.dir/link.d -o ../../lib/i386-linux-gnu/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Built target reportformat make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake "--color=" titleformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtitleformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/titleformat.cpp [ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/conformer.cpp make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake "--color=" confabreport make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dconfabreport_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/confabreport.cpp [ 34%] Linking CXX shared module ../../lib/i386-linux-gnu/textformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/conformer.cpp:35: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/textformat.dir/link.d -o ../../lib/i386-linux-gnu/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Built target textformat In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/conformersearch.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/conformer.cpp:37: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake "--color=" pngformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Linking CXX shared module ../lib/i386-linux-gnu/plugin_charges.so [ 34%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1 cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpngformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pngformat.cpp [ 34%] Linking CXX shared module ../../lib/i386-linux-gnu/titleformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1 [ 34%] Linking CXX shared module ../../lib/i386-linux-gnu/svgformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/titleformat.dir/link.d -o ../../lib/i386-linux-gnu/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Built target titleformat make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake "--color=" acesformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacesformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/acesformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/svgformat.dir/link.d -o ../../lib/i386-linux-gnu/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Built target svgformat [ 34%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opalign.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/align.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/confabreport.cpp:35: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/plugin_charges.dir/link.d -o ../lib/i386-linux-gnu/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 34%] Built target plugin_charges make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake "--color=" abinitformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 35%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dabinitformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/abinitformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/acesformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/align.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opalign.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/abinitformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 35%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opconfab.cpp [ 35%] Linking CXX shared module ../../lib/i386-linux-gnu/pngformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opalign.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pngformat.dir/link.d -o ../../lib/i386-linux-gnu/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 35%] Built target pngformat make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake "--color=" adfformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 36%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dadfformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/adfformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/ops/opconfab.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 36%] Linking CXX shared module ../../lib/i386-linux-gnu/confabreport.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/confabreport.dir/link.d -o ../../lib/i386-linux-gnu/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 36%] Built target confabreport make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake "--color=" aoforceformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 36%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Daoforceformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/aoforceformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/adfformat.cpp:38: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 36%] Linking CXX shared module ../../lib/i386-linux-gnu/abinitformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1 [ 36%] Linking CXX shared module ../../lib/i386-linux-gnu/acesformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/abinitformat.dir/link.d -o ../../lib/i386-linux-gnu/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 36%] Built target abinitformat make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake "--color=" castepformat /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/acesformat.dir/link.d -o ../../lib/i386-linux-gnu/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 36%] Built target acesformat make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake "--color=" crystal09format [ 36%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcastepformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/castepformat.cpp make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 36%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrystal09format_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/crystal09format.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/aoforceformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake "--color=" daltonformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 37%] Linking CXX shared module ../lib/i386-linux-gnu/plugin_ops.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1 [ 37%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddaltonformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/daltonformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/plugin_ops.dir/link.d -o ../lib/i386-linux-gnu/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 37%] Built target plugin_ops make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake "--color=" dmolformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 37%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddmolformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/dmolformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/castepformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/crystal09format.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/daltonformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/dmolformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 37%] Linking CXX shared module ../../lib/i386-linux-gnu/aoforceformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1 [ 37%] Linking CXX shared module ../../lib/i386-linux-gnu/castepformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/aoforceformat.dir/link.d -o ../../lib/i386-linux-gnu/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 37%] Built target aoforceformat make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake "--color=" fchkformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 38%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfchkformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fchkformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/castepformat.dir/link.d -o ../../lib/i386-linux-gnu/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 38%] Built target castepformat make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake "--color=" fhiaimsformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 38%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fhiaimsformat.cpp [ 38%] Linking CXX shared module ../../lib/i386-linux-gnu/daltonformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1 [ 38%] Linking CXX shared module ../../lib/i386-linux-gnu/dmolformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/daltonformat.dir/link.d -o ../../lib/i386-linux-gnu/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 38%] Built target daltonformat make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake "--color=" gamessformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gamessformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/dmolformat.dir/link.d -o ../../lib/i386-linux-gnu/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Built target dmolformat make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake "--color=" gaussformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgaussformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gaussformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fchkformat.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fhiaimsformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 39%] Linking CXX shared module ../../lib/i386-linux-gnu/adfformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1 [ 39%] Linking CXX shared module ../../lib/i386-linux-gnu/crystal09format.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/adfformat.dir/link.d -o ../../lib/i386-linux-gnu/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Built target adfformat make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake "--color=" gausscubeformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gamessformat.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 39%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gausscubeformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/crystal09format.dir/link.d -o ../../lib/i386-linux-gnu/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Built target crystal09format make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake "--color=" gausszmatformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gausszmatformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gaussformat.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gausscubeformat.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gausszmatformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 39%] Linking CXX shared module ../../lib/i386-linux-gnu/fhiaimsformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fhiaimsformat.dir/link.d -o ../../lib/i386-linux-gnu/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 39%] Built target fhiaimsformat make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake "--color=" gulpformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 40%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgulpformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gulpformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gulpformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 40%] Linking CXX shared module ../../lib/i386-linux-gnu/fchkformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1 [ 40%] Linking CXX shared module ../../lib/i386-linux-gnu/gausszmatformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gausszmatformat.dir/link.d -o ../../lib/i386-linux-gnu/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fchkformat.dir/link.d -o ../../lib/i386-linux-gnu/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 40%] Built target gausszmatformat make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake "--color=" hinformat [ 40%] Built target fchkformat make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake "--color=" jaguarformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 40%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dhinformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/hinformat.cpp [ 40%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Djaguarformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/jaguarformat.cpp [ 40%] Linking CXX shared module ../../lib/i386-linux-gnu/gulpformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gulpformat.dir/link.d -o ../../lib/i386-linux-gnu/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 40%] Built target gulpformat make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake "--color=" molproformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 40%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolproformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/molproformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/hinformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/jaguarformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/gausscubeformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gausscubeformat.dir/link.d -o ../../lib/i386-linux-gnu/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target gausscubeformat make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake "--color=" mopacformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmopacformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mopacformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/molproformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/hinformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/hinformat.dir/link.d -o ../../lib/i386-linux-gnu/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target hinformat make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake "--color=" nwchemformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnwchemformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/nwchemformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mopacformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/jaguarformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/jaguarformat.dir/link.d -o ../../lib/i386-linux-gnu/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target jaguarformat make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake "--color=" pwscfformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpwscfformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pwscfformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/nwchemformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/gamessformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gamessformat.dir/link.d -o ../../lib/i386-linux-gnu/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target gamessformat make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake "--color=" qchemformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dqchemformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/qchemformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pwscfformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/molproformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/molproformat.dir/link.d -o ../../lib/i386-linux-gnu/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target molproformat make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake "--color=" siestaformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsiestaformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/siestaformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/qchemformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/siestaformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/pwscfformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pwscfformat.dir/link.d -o ../../lib/i386-linux-gnu/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target pwscfformat make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake "--color=" turbomoleformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/turbomoleformat.cpp [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/gaussformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gaussformat.dir/link.d -o ../../lib/i386-linux-gnu/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Built target gaussformat make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake "--color=" vaspformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 41%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dvaspformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/vaspformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/turbomoleformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/vaspformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 41%] Linking CXX shared module ../../lib/i386-linux-gnu/mopacformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1 [ 42%] Linking CXX shared module ../../lib/i386-linux-gnu/qchemformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mopacformat.dir/link.d -o ../../lib/i386-linux-gnu/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 42%] Built target mopacformat make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake "--color=" xsfformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 42%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxsfformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xsfformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/qchemformat.dir/link.d -o ../../lib/i386-linux-gnu/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 42%] Built target qchemformat make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake "--color=" zindoformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 42%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dzindoformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o -MF CMakeFiles/zindoformat.dir/zindoformat.cpp.o.d -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/zindoformat.cpp [ 42%] Linking CXX shared module ../../lib/i386-linux-gnu/nwchemformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1 [ 42%] Linking CXX shared module ../../lib/i386-linux-gnu/turbomoleformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/nwchemformat.dir/link.d -o ../../lib/i386-linux-gnu/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xsfformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 42%] Built target nwchemformat make -f src/formats/CMakeFiles/maeformat.dir/build.make src/formats/CMakeFiles/maeformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/maeformat.dir/DependInfo.cmake "--color=" maeformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/maeformat.dir/build.make src/formats/CMakeFiles/maeformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 43%] Building CXX object src/formats/CMakeFiles/maeformat.dir/maeformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmaeformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/maeformat.dir/maeformat.cpp.o -MF CMakeFiles/maeformat.dir/maeformat.cpp.o.d -o CMakeFiles/maeformat.dir/maeformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/maeformat.cpp [ 43%] Linking CXX shared module ../../lib/i386-linux-gnu/siestaformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/turbomoleformat.dir/link.d -o ../../lib/i386-linux-gnu/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 43%] Built target turbomoleformat make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake "--color=" gamessukformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/zindoformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 43%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessukformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gamessukformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/siestaformat.dir/link.d -o ../../lib/i386-linux-gnu/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 43%] Built target siestaformat make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake "--color=" orcaformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 44%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dorcaformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/orcaformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/maeformat.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/zindoformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/orcaformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/zindoformat.dir/link.d -o ../../lib/i386-linux-gnu/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target zindoformat make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake "--color=" APIInterface make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/APIInterface.cpp [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/xsfformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gamessukformat.cpp:16: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/xsfformat.dir/link.d -o ../../lib/i386-linux-gnu/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target xsfformat make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake "--color=" CSRformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/CSRformat.cpp [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/APIInterface.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/CSRformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/APIInterface.dir/link.d -o ../../lib/i386-linux-gnu/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target APIInterface make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake "--color=" PQSformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/PQSformat.cpp [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/CSRformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/CSRformat.dir/link.d -o ../../lib/i386-linux-gnu/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target CSRformat make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake "--color=" MCDLformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/MCDLformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/PQSformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/MCDLformat.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/PQSformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/PQSformat.dir/link.d -o ../../lib/i386-linux-gnu/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target PQSformat make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake "--color=" alchemyformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dalchemyformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/alchemyformat.cpp [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/vaspformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/vaspformat.dir/link.d -o ../../lib/i386-linux-gnu/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target vaspformat make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake "--color=" acrformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacrformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/acrformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/alchemyformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/acrformat.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/acrformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1 [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/maeformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/maeformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/acrformat.dir/link.d -o ../../lib/i386-linux-gnu/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target acrformat make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend [ 45%] Linking CXX shared module ../../lib/i386-linux-gnu/alchemyformat.so make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake "--color=" amberformat cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Damberformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/amberformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/maeformat.dir/link.d -o ../../lib/i386-linux-gnu/maeformat.so CMakeFiles/maeformat.dir/maeformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target maeformat make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake "--color=" balstformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbalstformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/balstformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/alchemyformat.dir/link.d -o ../../lib/i386-linux-gnu/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Built target alchemyformat make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake "--color=" bgfformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 45%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbgfformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/bgfformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/amberformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/balstformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/bgfformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 46%] Linking CXX shared module ../../lib/i386-linux-gnu/amberformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/amberformat.dir/link.d -o ../../lib/i386-linux-gnu/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 46%] Built target amberformat make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake "--color=" boxformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dboxformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/boxformat.cpp [ 47%] Linking CXX shared module ../../lib/i386-linux-gnu/balstformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/balstformat.dir/link.d -o ../../lib/i386-linux-gnu/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Built target balstformat make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake "--color=" cacaoformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacaoformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cacaoformat.cpp [ 47%] Linking CXX shared module ../../lib/i386-linux-gnu/bgfformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/boxformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/bgfformat.dir/link.d -o ../../lib/i386-linux-gnu/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Built target bgfformat make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake "--color=" cacheformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacheformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cacheformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cacaoformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cacheformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 47%] Linking CXX shared module ../../lib/i386-linux-gnu/boxformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/boxformat.dir/link.d -o ../../lib/i386-linux-gnu/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Built target boxformat make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake "--color=" carformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 47%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcarformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/carformat.cpp [ 48%] Linking CXX shared module ../../lib/i386-linux-gnu/cacheformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1 [ 48%] Linking CXX shared module ../../lib/i386-linux-gnu/cacaoformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cacheformat.dir/link.d -o ../../lib/i386-linux-gnu/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 48%] Built target cacheformat make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake "--color=" cccformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 48%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcccformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cccformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cacaoformat.dir/link.d -o ../../lib/i386-linux-gnu/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 48%] Built target cacaoformat make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake "--color=" chem3dformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 48%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchem3dformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chem3dformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/carformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 49%] Linking CXX shared module ../../lib/i386-linux-gnu/MCDLformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chem3dformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/MCDLformat.dir/link.d -o ../../lib/i386-linux-gnu/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 49%] Built target MCDLformat make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake "--color=" chemdrawcdx In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cccformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 49%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemdrawcdx.cpp [ 49%] Linking CXX shared module ../../lib/i386-linux-gnu/carformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1 [ 50%] Linking CXX shared module ../../lib/i386-linux-gnu/cccformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/carformat.dir/link.d -o ../../lib/i386-linux-gnu/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chem3dformat.cpp: In static member function ‘static bool OpenBabel::CHEM3D1Format::WriteChem3d(std::ostream&, OpenBabel::OBMol&, const char*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chem3dformat.cpp:309:52: warning: ‘%d’ directive output may be truncated writing between 1 and 9 bytes into a region of size 4 [-Wformat-truncation=] 309 | snprintf(type_name, sizeof(type_num), "%d",type_num); | ^~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chem3dformat.cpp:309:51: note: directive argument in the range [0, 536873461] 309 | snprintf(type_name, sizeof(type_num), "%d",type_num); | ^~~~ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/ostream:42, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:24: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘static bool OpenBabel::CHEM3D1Format::WriteChem3d(std::ostream&, OpenBabel::OBMol&, const char*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chem3dformat.cpp:309:21: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 2 and 10 bytes into a destination of size 4 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ [ 50%] Built target carformat make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake "--color=" chemdrawct make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 51%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawct_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemdrawct.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemdrawcdx.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cccformat.dir/link.d -o ../../lib/i386-linux-gnu/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 51%] Built target cccformat make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake "--color=" chemkinformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 51%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemkinformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemkinformat.cpp [ 52%] Linking CXX shared module ../../lib/i386-linux-gnu/chem3dformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chem3dformat.dir/link.d -o ../../lib/i386-linux-gnu/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 52%] Built target chem3dformat make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake "--color=" chemtoolformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 53%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemtoolformat.cpp [ 53%] Linking CXX shared module ../../lib/i386-linux-gnu/gamessukformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemdrawct.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemkinformat.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gamessukformat.dir/link.d -o ../../lib/i386-linux-gnu/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 53%] Built target gamessukformat make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake "--color=" cifformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 53%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcifformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cifformat.cpp [ 53%] Linking CXX shared module ../../lib/i386-linux-gnu/orcaformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/chemtoolformat.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/orcaformat.dir/link.d -o ../../lib/i386-linux-gnu/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 53%] Built target orcaformat make -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake "--color=" cofformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 53%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcofformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cofformat.cpp [ 53%] Linking CXX shared module ../../lib/i386-linux-gnu/chemdrawct.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chemdrawct.dir/link.d -o ../../lib/i386-linux-gnu/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cifformat.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 53%] Built target chemdrawct make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake "--color=" crkformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 54%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrkformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/crkformat.cpp [ 54%] Linking CXX shared module ../../lib/i386-linux-gnu/chemtoolformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chemtoolformat.dir/link.d -o ../../lib/i386-linux-gnu/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 54%] Built target chemtoolformat make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake "--color=" cssrformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cofformat.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 54%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcssrformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cssrformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/crkformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/cssrformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 54%] Linking CXX shared module ../../lib/i386-linux-gnu/crkformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/crkformat.dir/link.d -o ../../lib/i386-linux-gnu/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 54%] Built target crkformat make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake "--color=" dlpolyformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 54%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/dlpolyformat.cpp [ 55%] Linking CXX shared module ../../lib/i386-linux-gnu/cssrformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cssrformat.dir/link.d -o ../../lib/i386-linux-gnu/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 55%] Built target cssrformat make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake "--color=" exyzformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 56%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dexyzformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o -MF CMakeFiles/exyzformat.dir/exyzformat.cpp.o.d -o CMakeFiles/exyzformat.dir/exyzformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/exyzformat.cpp [ 56%] Linking CXX shared module ../../lib/i386-linux-gnu/chemdrawcdx.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chemdrawcdx.dir/link.d -o ../../lib/i386-linux-gnu/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 56%] Built target chemdrawcdx make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake "--color=" fastsearchformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 56%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fastsearchformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/dlpolyformat.cpp:16: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 57%] Linking CXX shared module ../../lib/i386-linux-gnu/cofformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/exyzformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cofformat.dir/link.d -o ../../lib/i386-linux-gnu/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Built target cofformat make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake "--color=" fastaformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastaformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fastaformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fastsearchformat.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fastaformat.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 57%] Linking CXX shared module ../../lib/i386-linux-gnu/chemkinformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chemkinformat.dir/link.d -o ../../lib/i386-linux-gnu/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Built target chemkinformat make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake "--color=" featformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Linking CXX shared module ../../lib/i386-linux-gnu/exyzformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1 [ 57%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfeatformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/featformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/exyzformat.dir/link.d -o ../../lib/i386-linux-gnu/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Linking CXX shared module ../../lib/i386-linux-gnu/fastaformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1 [ 57%] Built target exyzformat make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake "--color=" fhformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fhformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fastaformat.dir/link.d -o ../../lib/i386-linux-gnu/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Built target fastaformat make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake "--color=" fingerprintformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fingerprintformat.cpp [ 57%] Linking CXX shared module ../../lib/i386-linux-gnu/fastsearchformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/featformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fastsearchformat.dir/link.d -o ../../lib/i386-linux-gnu/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 57%] Built target fastsearchformat make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake "--color=" fpsformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 58%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfpsformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o -MF CMakeFiles/fpsformat.dir/fpsformat.cpp.o.d -o CMakeFiles/fpsformat.dir/fpsformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fpsformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fhformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fingerprintformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 58%] Linking CXX shared module ../../lib/i386-linux-gnu/dlpolyformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1 [ 58%] Linking CXX shared module ../../lib/i386-linux-gnu/featformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/dlpolyformat.dir/link.d -o ../../lib/i386-linux-gnu/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/featformat.dir/link.d -o ../../lib/i386-linux-gnu/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 58%] Built target dlpolyformat [ 58%] Built target featformat make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake "--color=" freefracformat make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake "--color=" ghemicalformat [ 59%] Linking CXX shared module ../../lib/i386-linux-gnu/fhformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfreefracformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/freefracformat.dir/freefracformat.cpp.o -MF CMakeFiles/freefracformat.dir/freefracformat.cpp.o.d -o CMakeFiles/freefracformat.dir/freefracformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/freefracformat.cpp [ 59%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dghemicalformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/ghemicalformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/fpsformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fhformat.dir/link.d -o ../../lib/i386-linux-gnu/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Built target fhformat make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake "--color=" gromos96format make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgromos96format_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gromos96format.cpp [ 59%] Linking CXX shared module ../../lib/i386-linux-gnu/cifformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/freefracformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/ghemicalformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cifformat.dir/link.d -o ../../lib/i386-linux-gnu/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Built target cifformat make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake "--color=" groformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgroformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/groformat.cpp [ 59%] Linking CXX shared module ../../lib/i386-linux-gnu/fingerprintformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/gromos96format.cpp:56: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fingerprintformat.dir/link.d -o ../../lib/i386-linux-gnu/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Built target fingerprintformat make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake "--color=" lmpdatformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/lmpdatformat.cpp [ 59%] Linking CXX shared module ../../lib/i386-linux-gnu/fpsformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fpsformat.dir/link.d -o ../../lib/i386-linux-gnu/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Built target fpsformat make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake "--color=" lpmdformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlpmdformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/lpmdformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/groformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 59%] Linking CXX shared module ../../lib/i386-linux-gnu/gromos96format.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/gromos96format.dir/link.d -o ../../lib/i386-linux-gnu/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Built target gromos96format make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake "--color=" mdffformat In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/lmpdatformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdffformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdffformat.cpp [ 59%] Linking CXX shared module ../../lib/i386-linux-gnu/freefracformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/freefracformat.dir/link.d -o ../../lib/i386-linux-gnu/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/lpmdformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 59%] Built target freefracformat make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake "--color=" mmcifformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 59%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmcifformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mmcifformat.cpp [ 60%] Linking CXX shared module ../../lib/i386-linux-gnu/ghemicalformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/ghemicalformat.dir/link.d -o ../../lib/i386-linux-gnu/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Built target ghemicalformat make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake "--color=" mmodformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmodformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mmodformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mdffformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mmcifformat.cpp:21: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mmodformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 60%] Linking CXX shared module ../../lib/i386-linux-gnu/groformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/groformat.dir/link.d -o ../../lib/i386-linux-gnu/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Built target groformat make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake "--color=" moldenformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmoldenformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/moldenformat.cpp [ 60%] Linking CXX shared module ../../lib/i386-linux-gnu/mmodformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1 [ 60%] Linking CXX shared module ../../lib/i386-linux-gnu/lmpdatformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mmodformat.dir/link.d -o ../../lib/i386-linux-gnu/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Built target mmodformat make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake "--color=" mpdformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpdformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mpdformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/lmpdatformat.dir/link.d -o ../../lib/i386-linux-gnu/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Built target lmpdatformat make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake "--color=" mpqcformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpqcformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mpqcformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/moldenformat.cpp:38: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mpdformat.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/mpqcformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 60%] Linking CXX shared module ../../lib/i386-linux-gnu/lpmdformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/lpmdformat.dir/link.d -o ../../lib/i386-linux-gnu/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Built target lpmdformat make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake "--color=" msiformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 60%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/msiformat.cpp [ 61%] Linking CXX shared module ../../lib/i386-linux-gnu/mpdformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mpdformat.dir/link.d -o ../../lib/i386-linux-gnu/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Built target mpdformat make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake "--color=" msmsformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsmsformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/msmsformat.cpp [ 61%] Linking CXX shared module ../../lib/i386-linux-gnu/mpqcformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mpqcformat.dir/link.d -o ../../lib/i386-linux-gnu/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Built target mpqcformat make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake "--color=" opendxformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dopendxformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/opendxformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/msiformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 61%] Linking CXX shared module ../../lib/i386-linux-gnu/mdffformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mdffformat.dir/link.d -o ../../lib/i386-linux-gnu/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Built target mdffformat make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake "--color=" outformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Doutformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/outformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/msmsformat.cpp:30: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 61%] Linking CXX shared module ../../lib/i386-linux-gnu/mmcifformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mmcifformat.dir/link.d -o ../../lib/i386-linux-gnu/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Built target mmcifformat make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/opendxformat.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake "--color=" pcmodelformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 61%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pcmodelformat.cpp [ 61%] Linking CXX shared module ../../lib/i386-linux-gnu/moldenformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/outformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 62%] Linking CXX shared module ../../lib/i386-linux-gnu/msmsformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1 [ 62%] Linking CXX shared module ../../lib/i386-linux-gnu/msiformat.so /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/moldenformat.dir/link.d -o ../../lib/i386-linux-gnu/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 62%] Built target moldenformat make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake "--color=" pdbqtformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/msmsformat.dir/link.d -o ../../lib/i386-linux-gnu/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 63%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o [ 63%] Built target msmsformat cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake "--color=" pointcloudformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pointcloudformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pcmodelformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/msiformat.dir/link.d -o ../../lib/i386-linux-gnu/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Built target msiformat make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake "--color=" posformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dposformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/posformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pointcloudformat.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 64%] Linking CXX shared module ../../lib/i386-linux-gnu/outformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1 [ 64%] Linking CXX shared module ../../lib/i386-linux-gnu/opendxformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obfunctions.h:22, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/opendxformat.dir/link.d -o ../../lib/i386-linux-gnu/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/outformat.dir/link.d -o ../../lib/i386-linux-gnu/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Built target opendxformat [ 64%] Built target outformat make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend make -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake "--color=" pqrformat make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake "--color=" rinchiformat In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/posformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpqrformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp [ 64%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drinchiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/rinchiformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 64%] Linking CXX shared module ../../lib/i386-linux-gnu/pcmodelformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pcmodelformat.dir/link.d -o ../../lib/i386-linux-gnu/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Built target pcmodelformat make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake "--color=" rsmiformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drsmiformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/rsmiformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/rinchiformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 64%] Linking CXX shared module ../../lib/i386-linux-gnu/pointcloudformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pointcloudformat.dir/link.d -o ../../lib/i386-linux-gnu/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Built target pointcloudformat make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake "--color=" rxnformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drxnformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/rxnformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/rsmiformat.cpp:20: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 64%] Linking CXX shared module ../../lib/i386-linux-gnu/posformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/posformat.dir/link.d -o ../../lib/i386-linux-gnu/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 64%] Built target posformat make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake "--color=" shelxformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dshelxformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/shelxformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/rxnformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp: In member function ‘virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp:507:58: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 507 | snprintf(type_name, sizeof(type_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/ostream:42, from /usr/include/c++/15/iostream:43, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:24, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obmolecformat.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp:16: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp:507:21: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp: In member function ‘virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp:524:66: warning: ‘%-3s’ directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=] 524 | snprintf(padded_name, sizeof(padded_name), " %-3s", tmp); | ^~~~ ~~~ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pqrformat.cpp:524:29: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 17 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp: In function ‘void OpenBabel::OutputAtom(OBAtom*, std::ostream&, unsigned int)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:351:52: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 351 | snprintf(type_name, sizeof(type_name), " %-3s", tmp); | ^ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/ostream:42, from /usr/include/c++/15/iostream:43, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:24, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obmolecformat.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:24: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘void OpenBabel::OutputAtom(OBAtom*, std::ostream&, unsigned int)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:351:15: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp: In function ‘void OpenBabel::OutputAtom(OBAtom*, std::ostream&, unsigned int)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:369:60: warning: ‘__builtin___snprintf_chk’ output may be truncated before the last format character [-Wformat-truncation=] 369 | snprintf(padded_name, sizeof(padded_name), " %-3s", tmp); | ^ In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘void OpenBabel::OutputAtom(OBAtom*, std::ostream&, unsigned int)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/pdbqtformat.cpp:369:19: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 11 bytes into a destination of size 10 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/shelxformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 65%] Linking CXX shared module ../../lib/i386-linux-gnu/rinchiformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rinchiformat.dir/link.d -o ../../lib/i386-linux-gnu/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Built target rinchiformat make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake "--color=" smileyformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmileyformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smileyformat.cpp [ 65%] Linking CXX shared module ../../lib/i386-linux-gnu/rsmiformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rsmiformat.dir/link.d -o ../../lib/i386-linux-gnu/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Built target rsmiformat make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake "--color=" stlformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Linking CXX shared module ../../lib/i386-linux-gnu/rxnformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1 [ 65%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dstlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/stlformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/rxnformat.dir/link.d -o ../../lib/i386-linux-gnu/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Built target rxnformat make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake "--color=" thermoformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dthermoformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/thermoformat.cpp [ 65%] Linking CXX shared module ../../lib/i386-linux-gnu/shelxformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/shelxformat.dir/link.d -o ../../lib/i386-linux-gnu/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Built target shelxformat make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake "--color=" tinkerformat [ 65%] Linking CXX shared module ../../lib/i386-linux-gnu/pqrformat.so make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1 make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtinkerformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/tinkerformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smileyformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/smileyformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pqrformat.dir/link.d -o ../../lib/i386-linux-gnu/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 65%] Built target pqrformat make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake "--color=" unichemformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/stlformat.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dunichemformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/unichemformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/thermoformat.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/tinkerformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/unichemformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 66%] Linking CXX shared module ../../lib/i386-linux-gnu/stlformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1 [ 66%] Linking CXX shared module ../../lib/i386-linux-gnu/unichemformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/stlformat.dir/link.d -o ../../lib/i386-linux-gnu/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Built target stlformat make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake "--color=" viewmolformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/unichemformat.dir/link.d -o ../../lib/i386-linux-gnu/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dviewmolformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/viewmolformat.cpp [ 66%] Built target unichemformat make -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake "--color=" wlnformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dwlnformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/wlnformat.cpp [ 66%] Linking CXX shared module ../../lib/i386-linux-gnu/thermoformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/thermoformat.dir/link.d -o ../../lib/i386-linux-gnu/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Built target thermoformat make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake "--color=" xedformat [ 66%] Linking CXX shared module ../../lib/i386-linux-gnu/pdbqtformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxedformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xedformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pdbqtformat.dir/link.d -o ../../lib/i386-linux-gnu/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 66%] Built target pdbqtformat make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake "--color=" xyzformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 67%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxyzformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xyzformat.cpp [ 68%] Linking CXX shared module ../../lib/i386-linux-gnu/tinkerformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/viewmolformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/tinkerformat.dir/link.d -o ../../lib/i386-linux-gnu/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 68%] Built target tinkerformat [ 68%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dwlnformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -MF CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o.d -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/wln-nextmove.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xedformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake "--color=" yasaraformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 68%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dyasaraformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/yasaraformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xyzformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 69%] Linking CXX shared module ../../lib/i386-linux-gnu/viewmolformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/wln-nextmove.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 69%] Linking CXX shared module ../../lib/i386-linux-gnu/smileyformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/viewmolformat.dir/link.d -o ../../lib/i386-linux-gnu/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Built target viewmolformat make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake "--color=" png2format make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/png2format.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/smileyformat.dir/link.d -o ../../lib/i386-linux-gnu/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Built target smileyformat make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake "--color=" cdxmlformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build [ 69%] Linking CXX shared module ../../lib/i386-linux-gnu/xedformat.so make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1 [ 69%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/cdxmlformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/xedformat.dir/link.d -o ../../lib/i386-linux-gnu/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Built target xedformat make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake "--color=" cmlformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/cmlformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/yasaraformat.cpp:36: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/depict/depict.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/png2format.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 69%] Linking CXX shared module ../../lib/i386-linux-gnu/xyzformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1 /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/yasaraformat.cpp: In member function ‘virtual bool OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/yasaraformat.cpp:575:36: warning: ‘__builtin___snprintf_chk’ output truncated before the last format character [-Wformat-truncation=] 575 | snprintf(&buffer[12], 4, "%4d",res->GetNum()); } | ^ In file included from /usr/include/stdio.h:970, from /usr/include/c++/15/cstdio:47, from /usr/include/c++/15/ext/string_conversions.h:47, from /usr/include/c++/15/bits/basic_string.h:4442, from /usr/include/c++/15/string:56, from /usr/include/c++/15/bits/locale_classes.h:42, from /usr/include/c++/15/bits/ios_base.h:43, from /usr/include/c++/15/ios:46, from /usr/include/c++/15/bits/ostream.h:43, from /usr/include/c++/15/ostream:42, from /usr/include/c++/15/iostream:43, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:24, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obmolecformat.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/yasaraformat.cpp:34: In function ‘int snprintf(char*, size_t, const char*, ...)’, inlined from ‘virtual bool OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)’ at /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/yasaraformat.cpp:575:15: /usr/include/i386-linux-gnu/bits/stdio2.h:68:35: note: ‘__builtin___snprintf_chk’ output between 5 and 12 bytes into a destination of size 4 68 | return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1, | ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 | __glibc_objsize (__s), __fmt, | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 70 | __va_arg_pack ()); | ~~~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/cmlformat.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/xyzformat.dir/link.d -o ../../lib/i386-linux-gnu/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/cdxmlformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 69%] Built target xyzformat [ 69%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/depict/cairopainter.cpp [ 69%] Linking CXX shared module ../../lib/i386-linux-gnu/yasaraformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/yasaraformat.dir/link.d -o ../../lib/i386-linux-gnu/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Built target yasaraformat [ 69%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/xml.cpp make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake "--color=" cmlreactformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 69%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/cmlreactformat.cpp [ 69%] Linking CXX shared module ../../lib/i386-linux-gnu/png2format.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1 [ 70%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/xml.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/png2format.dir/link.d -o ../../lib/i386-linux-gnu/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 70%] Built target png2format [ 70%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/xml.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/cmlreactformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 70%] Linking CXX shared module ../../lib/i386-linux-gnu/cdxmlformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cdxmlformat.dir/link.d -o ../../lib/i386-linux-gnu/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm /usr/lib/i386-linux-gnu/libxml2.so ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 70%] Built target cdxmlformat make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake "--color=" pubchem make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 70%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/pubchem.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/pubchem.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake "--color=" xmlformat [ 70%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/xml.cpp make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 71%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/xmlformat.cpp [ 71%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/xml/xml.cpp [ 71%] Linking CXX shared module ../../lib/i386-linux-gnu/wlnformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/wlnformat.dir/link.d -o ../../lib/i386-linux-gnu/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o "CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o" /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 71%] Built target wlnformat make -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake "--color=" chemdoodlejsonformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 71%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/chemdoodlejsonformat.cpp make -f src/formats/CMakeFiles/chemicaljsonformat.dir/build.make src/formats/CMakeFiles/chemicaljsonformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/chemicaljsonformat.dir/DependInfo.cmake "--color=" chemicaljsonformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/chemicaljsonformat.dir/build.make src/formats/CMakeFiles/chemicaljsonformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 71%] Building CXX object src/formats/CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemicaljsonformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o -MF CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o.d -o CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/chemicaljsonformat.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/chemdoodlejsonformat.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/chemicaljsonformat.cpp:17: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 72%] Linking CXX shared module ../../lib/i386-linux-gnu/pubchem.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pubchem.dir/link.d -o ../../lib/i386-linux-gnu/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm /usr/lib/i386-linux-gnu/libxml2.so ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 72%] Linking CXX shared module ../../lib/i386-linux-gnu/xmlformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1 [ 72%] Built target pubchem make -f src/formats/CMakeFiles/ketformat.dir/build.make src/formats/CMakeFiles/ketformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/ketformat.dir/DependInfo.cmake "--color=" ketformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/ketformat.dir/build.make src/formats/CMakeFiles/ketformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 72%] Building CXX object src/formats/CMakeFiles/ketformat.dir/json/ketformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dketformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/ketformat.dir/json/ketformat.cpp.o -MF CMakeFiles/ketformat.dir/json/ketformat.cpp.o.d -o CMakeFiles/ketformat.dir/json/ketformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/ketformat.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/xmlformat.dir/link.d -o ../../lib/i386-linux-gnu/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm /usr/lib/i386-linux-gnu/libxml2.so ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 72%] Built target xmlformat make -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake "--color=" pubchemjsonformat make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 72%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/i686-linux-gnu-g++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/pubchemjsonformat.cpp [ 72%] Linking CXX shared module ../../lib/i386-linux-gnu/cmlreactformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cmlreactformat.dir/link.d -o ../../lib/i386-linux-gnu/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm /usr/lib/i386-linux-gnu/libxml2.so ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 72%] Built target cmlreactformat make -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obabel.dir/DependInfo.cmake "--color=" obabel make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 73%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obabel.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obabel.cpp:104:29: warning: macro ‘__DATE__’ might prevent reproducible builds [-Wdate-time] 104 | << __DATE__ << " -- " << __TIME__ << endl; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obabel.cpp:104:51: warning: macro ‘__TIME__’ might prevent reproducible builds [-Wdate-time] 104 | << __DATE__ << " -- " << __TIME__ << endl; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obabel.cpp:417:55: warning: macro ‘__DATE__’ might prevent reproducible builds [-Wdate-time] 417 | cout << "Open Babel " << BABEL_VERSION << " -- " << __DATE__ << " -- " | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obabel.cpp:418:11: warning: macro ‘__TIME__’ might prevent reproducible builds [-Wdate-time] 418 | << __TIME__ << endl; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/ketformat.cpp:34: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/json/pubchemjsonformat.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 73%] Linking CXX executable ../bin/obabel cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1 [ 73%] Linking CXX shared module ../../lib/i386-linux-gnu/cmlformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obabel.dir/link.d CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 73%] Built target obabel make -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obconformer.dir/DependInfo.cmake "--color=" obconformer make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 73%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obconformer.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/cmlformat.dir/link.d -o ../../lib/i386-linux-gnu/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm /usr/lib/i386-linux-gnu/libxml2.so ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 73%] Built target cmlformat make -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obenergy.dir/DependInfo.cmake "--color=" obenergy make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obenergy.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obconformer.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obconformer.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obenergy.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 74%] Linking CXX executable ../bin/obenergy cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1 [ 74%] Linking CXX executable ../bin/obconformer cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obenergy.dir/link.d CMakeFiles/obenergy.dir/obenergy.cpp.o -o ../bin/obenergy ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Built target obenergy make -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obfit.dir/DependInfo.cmake "--color=" obfit /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obconformer.dir/link.d CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Built target obconformer make -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obfitall.dir/DependInfo.cmake "--color=" obfitall [ 74%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obfit.cpp make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obfitall.dir/build.make tools/CMakeFiles/obfitall.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obfitall.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obfitall.cpp:36: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obfit.cpp:36: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obfitall.cpp:37: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obfit.cpp:38: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 74%] Linking CXX shared module ../../lib/i386-linux-gnu/chemicaljsonformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemicaljsonformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chemicaljsonformat.dir/link.d -o ../../lib/i386-linux-gnu/chemicaljsonformat.so CMakeFiles/chemicaljsonformat.dir/json/chemicaljsonformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Built target chemicaljsonformat make -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obgen.dir/DependInfo.cmake "--color=" obgen make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obgen.cpp [ 74%] Linking CXX shared module ../../lib/i386-linux-gnu/chemdoodlejsonformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdoodlejsonformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/chemdoodlejsonformat.dir/link.d -o ../../lib/i386-linux-gnu/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Built target chemdoodlejsonformat make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obminimize.dir/DependInfo.cmake "--color=" obminimize make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 74%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obminimize.cpp [ 75%] Linking CXX executable ../bin/obfitall cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfitall.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obfitall.dir/link.d CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 75%] Linking CXX executable ../bin/obfit [ 75%] Built target obfitall cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1 make -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obmm.dir/DependInfo.cmake "--color=" obmm make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obmm.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obgen.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obfit.dir/link.d CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Built target obfit make -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obprobe.dir/DependInfo.cmake "--color=" obprobe make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obprobe.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obminimize.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obmm.cpp:56: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obprobe.cpp:30: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 76%] Linking CXX executable ../bin/obgen cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1 [ 76%] Linking CXX executable ../bin/obminimize cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obgen.dir/link.d CMakeFiles/obgen.dir/obgen.cpp.o -o ../bin/obgen ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Built target obgen make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obprop.dir/DependInfo.cmake "--color=" obprop make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obprop.cpp /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obminimize.dir/link.d CMakeFiles/obminimize.dir/obminimize.cpp.o -o ../bin/obminimize ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Built target obminimize make -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake "--color=" obrotamer make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrotamer.cpp [ 76%] Linking CXX executable ../bin/obmm cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obmm.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obmm.dir/link.d CMakeFiles/obmm.dir/obmm.cpp.o -o ../bin/obmm ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 76%] Built target obmm make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obrotate.dir/DependInfo.cmake "--color=" obrotate make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 77%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrotate.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obprop.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrotamer.cpp:28: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 77%] Linking CXX executable ../bin/obprobe cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obprobe.dir/link.d CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 77%] Built target obprobe make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obsym.dir/DependInfo.cmake "--color=" obsym make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 77%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obsym.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrotate.cpp:39: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrotate.cpp:40: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 78%] Linking CXX executable ../bin/obprop cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1 [ 78%] Linking CXX shared module ../../lib/i386-linux-gnu/pubchemjsonformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchemjsonformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obprop.dir/link.d CMakeFiles/obprop.dir/obprop.cpp.o -o ../bin/obprop ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 78%] Built target obprop make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake "--color=" obtautomer make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/pubchemjsonformat.dir/link.d -o ../../lib/i386-linux-gnu/pubchemjsonformat.so CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obtautomer.cpp [ 79%] Built target pubchemjsonformat make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obthermo.dir/DependInfo.cmake "--color=" obthermo make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obthermo.cpp [ 79%] Linking CXX executable ../bin/obrotamer cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1 [ 79%] Linking CXX executable ../bin/obsym cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obrotamer.dir/link.d CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Linking CXX executable ../bin/obrotate cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1 [ 79%] Built target obrotamer make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake "--color=" obdistgen make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obdistgen.cpp /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obsym.dir/link.d CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Built target obsym make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obgrep.dir/DependInfo.cmake "--color=" obgrep make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obgrep.cpp /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obrotate.dir/link.d CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Built target obrotate make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake "--color=" obspectrophore make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obspectrophore.cpp [ 79%] Linking CXX executable ../bin/obtautomer cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obtautomer.dir/link.d CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Built target obtautomer make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools/CMakeFiles/obrms.dir/DependInfo.cmake "--color=" obrms [ 79%] Linking CXX executable ../bin/obthermo cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrms.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obgrep.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obdistgen.cpp:30: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obthermo.dir/link.d CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 79%] Built target obthermo make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/GUI /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake "--color=" obgui make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 80%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/GUI && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/. -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/OBGUI.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrms.cpp:33: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/query.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/tools/obrms.cpp:35: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 80%] Linking CXX executable ../bin/obgrep cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obgrep.dir/link.d CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 80%] Built target obgrep make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake "--color=" test_runner make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 80%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/test_runner.cpp [ 81%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/aligntest.cpp [ 81%] Linking CXX executable ../bin/obdistgen cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obdistgen.dir/link.d CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 81%] Built target obdistgen make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake "--color=" test_inchiwrite make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 81%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/inchiwrite.cpp [ 81%] Linking CXX executable ../bin/obspectrophore cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1 [ 82%] Linking CXX shared module ../../lib/i386-linux-gnu/ketformat.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ketformat.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obspectrophore.dir/link.d CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 82%] Built target obspectrophore [ 82%] Building CXX object test/CMakeFiles/test_runner.dir/distgeomtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/distgeomtest.cpp.o -MF CMakeFiles/test_runner.dir/distgeomtest.cpp.o.d -o CMakeFiles/test_runner.dir/distgeomtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/distgeomtest.cpp /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/ketformat.dir/link.d -o ../../lib/i386-linux-gnu/ketformat.so CMakeFiles/ketformat.dir/json/ketformat.cpp.o /usr/lib/i386-linux-gnu/libmaeparser.so /usr/lib/i386-linux-gnu/libcoordgen.so /usr/lib/i386-linux-gnu/libm.so -ldl /usr/lib/i386-linux-gnu/libz.so /usr/lib/i386-linux-gnu/libcairo.so /usr/lib/i386-linux-gnu/libinchi.so -lm ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 82%] Built target ketformat [ 82%] Building CXX object test/CMakeFiles/test_runner.dir/gen3dtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gen3dtest.cpp.o -MF CMakeFiles/test_runner.dir/gen3dtest.cpp.o.d -o CMakeFiles/test_runner.dir/gen3dtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/gen3dtest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/aligntest.cpp:2: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 82%] Linking CXX executable ../bin/obrms cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obrms.dir/link.d CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 82%] Built target obrms [ 82%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/aliastest.cpp [ 82%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/formats/getinchi.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/OBGUI.cpp: In member function ‘void OBGUIFrame::OnConvert(wxCommandEvent&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/OBGUI.cpp:589:9: warning: ignoring return value of ‘std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::__string_type std::__cxx11::basic_istringstream<_CharT, _Traits, _Alloc>::str() const [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator; __string_type = std::__cxx11::basic_string]’, declared with attribute ‘nodiscard’ [-Wunused-result] 589 | ss.str(); | ~~~~~~^~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/plugin.h:28, from /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/OBGUI.cpp:23: /usr/include/c++/15/sstream:716:7: note: declared here 716 | str() const _GLIBCXX_LVAL_REF_QUAL | ^~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/aliastest.cpp:18: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 82%] Linking CXX executable ../bin/test_inchiwrite cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/test_inchiwrite.dir/link.d CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 82%] Built target test_inchiwrite [ 82%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/GUI && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/. -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/stdwx.cpp make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake "--color=" roundtrip make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 83%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/roundtrip.cpp [ 83%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/automorphismtest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/roundtrip.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make -f test/CMakeFiles/fuzz_obconversion_smiles.dir/build.make test/CMakeFiles/fuzz_obconversion_smiles.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/fuzz_obconversion_smiles.dir/DependInfo.cmake "--color=" fuzz_obconversion_smiles make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/fuzz_obconversion_smiles.dir/build.make test/CMakeFiles/fuzz_obconversion_smiles.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 84%] Building CXX object test/CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/fuzz_obconversion.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DFUZZ_INPUT_FORMAT=\"SMILES\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/fuzz_obconversion.cpp.o -MF CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/fuzz_obconversion.cpp.o.d -o CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/fuzz_obconversion.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_obconversion.cpp [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/buildertest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/query.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/automorphismtest.cpp:3: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 85%] Linking CXX executable ../bin/roundtrip cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/roundtrip.dir/link.d CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 85%] Built target roundtrip [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/canonconsistenttest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/buildertest.cpp:3: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 85%] Building CXX object test/CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/standalone_main.cc.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DFUZZ_INPUT_FORMAT=\"SMILES\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/standalone_main.cc.o -MF CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/standalone_main.cc.o.d -o CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/standalone_main.cc.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/standalone_main.cc [ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/GUI && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/. -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/src/GUI/optswx.cpp [ 85%] Linking CXX executable ../bin/fuzz_obconversion_smiles cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/fuzz_obconversion_smiles.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fuzz_obconversion_smiles.dir/link.d CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/fuzz_obconversion.cpp.o CMakeFiles/fuzz_obconversion_smiles.dir/fuzz/standalone_main.cc.o -o ../bin/fuzz_obconversion_smiles ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 85%] Built target fuzz_obconversion_smiles [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/canonfragmenttest.cpp make -f test/CMakeFiles/fuzz_obconversion_sdf.dir/build.make test/CMakeFiles/fuzz_obconversion_sdf.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/fuzz_obconversion_sdf.dir/DependInfo.cmake "--color=" fuzz_obconversion_sdf make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/fuzz_obconversion_sdf.dir/build.make test/CMakeFiles/fuzz_obconversion_sdf.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 85%] Building CXX object test/CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/fuzz_obconversion.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DFUZZ_INPUT_FORMAT=\"SDF\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/fuzz_obconversion.cpp.o -MF CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/fuzz_obconversion.cpp.o.d -o CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/fuzz_obconversion.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_obconversion.cpp [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/canonstabletest.cpp make -f test/CMakeFiles/fuzz_convert.dir/build.make test/CMakeFiles/fuzz_convert.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/fuzz_convert.dir/DependInfo.cmake "--color=" fuzz_convert make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/fuzz_convert.dir/build.make test/CMakeFiles/fuzz_convert.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 85%] Building CXX object test/CMakeFiles/fuzz_convert.dir/fuzz/fuzz_convert.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_convert.dir/fuzz/fuzz_convert.cpp.o -MF CMakeFiles/fuzz_convert.dir/fuzz/fuzz_convert.cpp.o.d -o CMakeFiles/fuzz_convert.dir/fuzz/fuzz_convert.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_convert.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/canonfragmenttest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 85%] Building CXX object test/CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/standalone_main.cc.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DFUZZ_INPUT_FORMAT=\"SDF\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/standalone_main.cc.o -MF CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/standalone_main.cc.o.d -o CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/standalone_main.cc.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/standalone_main.cc In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/canonstabletest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 85%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/carspacegrouptest.cpp [ 85%] Linking CXX executable ../bin/fuzz_obconversion_sdf cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/fuzz_obconversion_sdf.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fuzz_obconversion_sdf.dir/link.d CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/fuzz_obconversion.cpp.o CMakeFiles/fuzz_obconversion_sdf.dir/fuzz/standalone_main.cc.o -o ../bin/fuzz_obconversion_sdf ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 85%] Built target fuzz_obconversion_sdf make -f test/CMakeFiles/fuzz_molecule.dir/build.make test/CMakeFiles/fuzz_molecule.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/fuzz_molecule.dir/DependInfo.cmake "--color=" fuzz_molecule make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/fuzz_molecule.dir/build.make test/CMakeFiles/fuzz_molecule.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 85%] Building CXX object test/CMakeFiles/fuzz_molecule.dir/fuzz/fuzz_molecule.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_molecule.dir/fuzz/fuzz_molecule.cpp.o -MF CMakeFiles/fuzz_molecule.dir/fuzz/fuzz_molecule.cpp.o.d -o CMakeFiles/fuzz_molecule.dir/fuzz/fuzz_molecule.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_molecule.cpp [ 86%] Building CXX object test/CMakeFiles/fuzz_molecule.dir/fuzz/standalone_main.cc.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_molecule.dir/fuzz/standalone_main.cc.o -MF CMakeFiles/fuzz_molecule.dir/fuzz/standalone_main.cc.o.d -o CMakeFiles/fuzz_molecule.dir/fuzz/standalone_main.cc.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/standalone_main.cc In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/carspacegrouptest.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 86%] Building CXX object test/CMakeFiles/fuzz_convert.dir/fuzz/standalone_main.cc.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_convert.dir/fuzz/standalone_main.cc.o -MF CMakeFiles/fuzz_convert.dir/fuzz/standalone_main.cc.o.d -o CMakeFiles/fuzz_convert.dir/fuzz/standalone_main.cc.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/standalone_main.cc [ 87%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/cifspacegrouptest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_molecule.cpp:5: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 88%] Linking CXX executable ../bin/fuzz_convert cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/fuzz_convert.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fuzz_convert.dir/link.d CMakeFiles/fuzz_convert.dir/fuzz/fuzz_convert.cpp.o CMakeFiles/fuzz_convert.dir/fuzz/standalone_main.cc.o -o ../bin/fuzz_convert ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Built target fuzz_convert make -f test/CMakeFiles/fuzz_smart.dir/build.make test/CMakeFiles/fuzz_smart.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/fuzz_smart.dir/DependInfo.cmake "--color=" fuzz_smart make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/fuzz_smart.dir/build.make test/CMakeFiles/fuzz_smart.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Building CXX object test/CMakeFiles/fuzz_smart.dir/fuzz/fuzz_smart.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_smart.dir/fuzz/fuzz_smart.cpp.o -MF CMakeFiles/fuzz_smart.dir/fuzz/fuzz_smart.cpp.o.d -o CMakeFiles/fuzz_smart.dir/fuzz/fuzz_smart.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_smart.cpp [ 88%] Building CXX object test/CMakeFiles/fuzz_smart.dir/fuzz/standalone_main.cc.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_smart.dir/fuzz/standalone_main.cc.o -MF CMakeFiles/fuzz_smart.dir/fuzz/standalone_main.cc.o.d -o CMakeFiles/fuzz_smart.dir/fuzz/standalone_main.cc.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/standalone_main.cc [ 88%] Linking CXX executable ../bin/fuzz_molecule cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/fuzz_molecule.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/cifspacegrouptest.cpp:24: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/cistranstest.cpp /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fuzz_molecule.dir/link.d CMakeFiles/fuzz_molecule.dir/fuzz/fuzz_molecule.cpp.o CMakeFiles/fuzz_molecule.dir/fuzz/standalone_main.cc.o -o ../bin/fuzz_molecule ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Built target fuzz_molecule make -f test/CMakeFiles/fuzz_empty_write.dir/build.make test/CMakeFiles/fuzz_empty_write.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test/CMakeFiles/fuzz_empty_write.dir/DependInfo.cmake "--color=" fuzz_empty_write make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f test/CMakeFiles/fuzz_empty_write.dir/build.make test/CMakeFiles/fuzz_empty_write.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Building CXX object test/CMakeFiles/fuzz_empty_write.dir/fuzz/fuzz_empty_write.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_empty_write.dir/fuzz/fuzz_empty_write.cpp.o -MF CMakeFiles/fuzz_empty_write.dir/fuzz/fuzz_empty_write.cpp.o.d -o CMakeFiles/fuzz_empty_write.dir/fuzz/fuzz_empty_write.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_empty_write.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_smart.cpp:3: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Generating /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/openbabel-python.cpp, /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/openbabel.py cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts && /usr/bin/swig -python -c++ -doxygen -small -O -templatereduce -naturalvar -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -o /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/openbabel-python.cpp -DHAVE_EIGEN3 -outdir /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/openbabel-python.i [ 88%] Linking CXX executable ../bin/fuzz_smart cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/fuzz_smart.dir/link.txt --verbose=1 In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/fuzz_empty_write.cpp:15: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/cistranstest.cpp:9: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 88%] Linking CXX executable ../../bin/obgui cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fuzz_smart.dir/link.d CMakeFiles/fuzz_smart.dir/fuzz/fuzz_smart.cpp.o CMakeFiles/fuzz_smart.dir/fuzz/standalone_main.cc.o -o ../bin/fuzz_smart ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Built target fuzz_smart [ 88%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/conversiontest.cpp /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/obgui.dir/link.d CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui ../../lib/i386-linux-gnu/libopenbabel.so.8.0.0 -L/usr/lib/i386-linux-gnu -pthread -lwx_baseu-3.2 -lwx_gtk3u_core-3.2 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Built target obgui make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Generating /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/perl/openbabel-perl.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts && /usr/bin/swig -perl5 -c++ -small -O -templatereduce -naturalvar -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -o /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/perl/openbabel-perl.cpp -outdir /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/perl /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/openbabel-perl.i /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/isomorphism.h:160: Warning 325: Nested class not currently supported (Functor ignored) In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/phmodel.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/conversiontest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/spectrophore.h:571: Warning 312: Nested struct not currently supported (ignored). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/spectrophore.h:578: Warning 312: Nested struct not currently supported (ignored). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obconversion.h:368: Warning 325: Nested struct not currently supported (StreamState ignored) [ 88%] Building CXX object test/CMakeFiles/test_runner.dir/fuzzregresstest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/fuzzregresstest.cpp.o -MF CMakeFiles/test_runner.dir/fuzzregresstest.cpp.o.d -o CMakeFiles/test_runner.dir/fuzzregresstest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzzregresstest.cpp [ 88%] Building CXX object test/CMakeFiles/fuzz_empty_write.dir/fuzz/standalone_main.cc.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -std=gnu++17 -fPIE -MD -MT test/CMakeFiles/fuzz_empty_write.dir/fuzz/standalone_main.cc.o -MF CMakeFiles/fuzz_empty_write.dir/fuzz/standalone_main.cc.o.d -o CMakeFiles/fuzz_empty_write.dir/fuzz/standalone_main.cc.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/standalone_main.cc [ 88%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/graphsymtest.cpp [ 88%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/gziptest.cpp [ 88%] Linking CXX executable ../bin/fuzz_empty_write cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/fuzz_empty_write.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/fuzz_empty_write.dir/link.d CMakeFiles/fuzz_empty_write.dir/fuzz/fuzz_empty_write.cpp.o CMakeFiles/fuzz_empty_write.dir/fuzz/standalone_main.cc.o -o ../bin/fuzz_empty_write ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 88%] Built target fuzz_empty_write [ 89%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/addhtest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/graphsymtest.cpp:8: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/addhtest.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bitvec.h:59: Warning 560: Unknown Doxygen command: users. [ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/implicitHtest.cpp [ 89%] Building CXX object test/CMakeFiles/test_runner.dir/ketformattest.cpp.o [ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ketformattest.cpp.o -MF CMakeFiles/test_runner.dir/ketformattest.cpp.o.d -o CMakeFiles/test_runner.dir/ketformattest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/ketformattest.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/lssrtest.cpp [ 89%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/isomorphismtest.cpp [ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/multicmltest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/alias.h:20, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ketformattest.cpp:19: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/lssrtest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/lssrtest.cpp:5: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/query.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/isomorphismtest.cpp:6: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 90%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/periodictest.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:404: Warning 509: Overloaded method OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:403: Warning 509: as it is shadowed by OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const &). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:407: Warning 509: Overloaded method OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:406: Warning 509: as it is shadowed by OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const &). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:410: Warning 509: Overloaded method OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:409: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const &). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:413: Warning 509: Overloaded method OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:412: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const &). cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/scripts /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake "--color=" bindings_perl make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 91%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_perl_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/python3.14 -I/usr/lib/i386-linux-gnu/perl/5.40/CORE -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wno-deprecated-declarations -Wno-deprecated-declarations -fPIC -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/perl/openbabel-perl.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$a. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$c. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:619: Warning 560: Unknown Doxygen command: f$S. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:628: Warning 560: Unknown Doxygen command: f$S. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:628: Warning 566: Unexpected iterator value in DoxygenParser::parse /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:649: Warning 562: Expected Doxygen command: f$. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:649: Warning 566: Unexpected iterator value in DoxygenParser::parse /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:649: Warning 561: Unexpected end of Doxygen comment encountered. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:624: Warning 560: Unknown Doxygen command: f$a. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:624: Warning 560: Unknown Doxygen command: f$c. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:631: Warning 560: Unknown Doxygen command: f$S. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:660: Warning 562: Expected Doxygen command: f$. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:660: Warning 566: Unexpected iterator value in DoxygenParser::parse /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/stereo.h:660: Warning 561: Unexpected end of Doxygen comment encountered. [ 91%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/regressionstest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/periodictest.cpp:22: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 91%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/rotortest.cpp [ 91%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/shuffletest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/phmodel.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/regressionstest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:404: Warning 509: Overloaded method OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:403: Warning 509: as it is shadowed by OpenBabel::impl::MolGetAtoms(OpenBabel::OBMol const &). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:407: Warning 509: Overloaded method OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:406: Warning 509: as it is shadowed by OpenBabel::impl::MolGetBonds(OpenBabel::OBMol const &). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:410: Warning 509: Overloaded method OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:409: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetBonds(OpenBabel::OBAtom const &). /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:413: Warning 509: Overloaded method OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const *) effectively ignored, /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:412: Warning 509: as it is shadowed by OpenBabel::impl::AtomGetNbrs(OpenBabel::OBAtom const &). In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/regressionstest.cpp:6: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/rotortest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/bond.h:32, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/rotortest.cpp:5: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/scripts /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake "--color=" bindings_python make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/shuffletest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [ 91%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts && /usr/bin/i686-linux-gnu-g++ -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_python_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/usr/include/python3.14 -I/usr/lib/i386-linux-gnu/perl/5.40/CORE -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wno-deprecated-declarations -Wno-deprecated-declarations -fPIC -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/openbabel-python.cpp [ 92%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/smilestest.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/openbabel-python.cpp:48638:117: warning: trigraph ‘??)’ ignored, use ‘-trigraphs’ to enable [-Wtrigraphs] 48638 | { "OBBond_SetWedgeOrHash", _wrap_OBBond_SetWedgeOrHash, METH_VARARGS, "Set the WedgeOrHash flag on a bond (??)"}, /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/openbabel-python.cpp:56350:117: warning: trigraph ‘??)’ ignored, use ‘-trigraphs’ to enable [-Wtrigraphs] 56350 | { "OBBond_SetWedgeOrHash", _wrap_OBBond_SetWedgeOrHash, METH_VARARGS, "Set the WedgeOrHash flag on a bond (??)"}, [ 92%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/spectrophoretest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/smilestest.cpp:11: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/spectrophoretest.cpp:5: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 92%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/squareplanartest.cpp [ 92%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/stereotest.cpp [ 92%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/stereoperceptiontest.cpp [ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/tautomertest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/stereotest.cpp:7: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 93%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/tetrahedraltest.cpp [ 93%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/tetranonplanartest.cpp [ 93%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/tetraplanartest.cpp [ 93%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/uniqueidtest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/uniqueidtest.cpp:4: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 93%] Building CXX object test/CMakeFiles/test_runner.dir/maereadertest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/maereadertest.cpp.o -MF CMakeFiles/test_runner.dir/maereadertest.cpp.o.d -o CMakeFiles/test_runner.dir/maereadertest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/maereadertest.cpp [ 94%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/aromatest.cpp [ 94%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/atom.cpp [ 94%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/bond.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/transform3d.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/spacegroup.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/maereadertest.cpp:23: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/aromatest.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/atom.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/bond.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 94%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/cansmi.cpp [ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/charge_mmff94.cpp [ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/charge_gasteiger.cpp [ 95%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/conversion.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/charge_mmff94.cpp:14: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/chargemodel.h:25, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/charge_gasteiger.cpp:14: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 95%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/datatest.cpp [ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffgaff.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffgaff.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffghemical.cpp [ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffmmff94.cpp [ 96%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffuff.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffghemical.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/formalcharge.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffuff.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ffmmff94.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/formalcharge.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 96%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o [ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/format.cpp cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/formula.cpp [ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/internalcoord.cpp [ 97%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/invalidsmarts.cpp [ 97%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/invalidsmiles.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/test/invalidsmarts.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 97%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/iterators.cpp [ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/logp_psa.cpp [ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/math.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/obiter.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/iterators.cpp:31: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/mol.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/math.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/groupcontrib.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/logp_psa.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 98%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/pdbreadfile.cpp [ 98%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/phmodel.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/mol.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/pdbreadfile.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:27, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/phmodel.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/phmodel.h:23, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/phmodel.cpp:27: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/residue.cpp [ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/ringtest.cpp [ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/smartstest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/residue.cpp:26: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/atom.h:35, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ringtest.cpp:30: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/typer.h:29, from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/ring.h:30, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/ringtest.cpp:32: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 99%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/smartsparse.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/test/smartstest.cpp:32: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/test/smartsparse.cpp:29: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ [ 99%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/smilesmatch.cpp [ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/unitcell.cpp [ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/cmlreadfile.cpp [ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/i686-linux-gnu-g++ -DFORMATDIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu//\" -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RAPIDJSON -DHAVE_WXWIDGETS -DTESTDATADIR=\"/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtest_runner_EXPORTS -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/data -I/build/reproducible-path/openbabel-3.2.0+dfsg/include -I/build/reproducible-path/openbabel-3.2.0+dfsg/test -isystem /usr/lib/i386-linux-gnu/wx/include/gtk3-unicode-3.2 -isystem /usr/include/wx-3.2 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /build/reproducible-path/openbabel-3.2.0+dfsg/test/obtest.cpp In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/test/smilesmatch.cpp:32: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern()’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:183:88: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 183 | OBSmartsPattern() : _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) { } | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h: In copy constructor ‘OpenBabel::OBSmartsPattern::OBSmartsPattern(const OpenBabel::OBSmartsPattern&)’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:186:112: warning: ‘OpenBabel::OBSmartsPattern::_growbond’ is deprecated [-Wdeprecated-declarations] 186 | OBSmartsPattern(const OBSmartsPattern& cp): _pat(nullptr), _buffer(nullptr), LexPtr(nullptr), MainPtr(nullptr) | ^ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/parsmart.h:158:37: note: declared here 158 | OB_DEPRECATED std::vector _growbond; //!< \deprecated (Not used) | ^~~~~~~~~ In file included from /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/matrix3x3.h:26, from /build/reproducible-path/openbabel-3.2.0+dfsg/test/unitcell.cpp:25: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h: In member function ‘bool OpenBabel::vector3::operator!=(const OpenBabel::vector3&) const’: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:281:29: warning: ‘bool OpenBabel::vector3::operator==(const OpenBabel::vector3&) const’ is deprecated: Use vector3::IsApprox() instead. [-Wdeprecated-declarations] 281 | return ! ( (*this) == other ); | ^~~~~ /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/math/vector3.h:274:10: note: declared here 274 | bool operator== ( const vector3& ) const; | ^~~~~~~~ [100%] Linking CXX executable ../bin/test_runner cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--export-dynamic -rdynamic -Wl,--dependency-file=CMakeFiles/test_runner.dir/link.d CMakeFiles/test_runner.dir/test_runner.cpp.o CMakeFiles/test_runner.dir/aligntest.cpp.o CMakeFiles/test_runner.dir/distgeomtest.cpp.o CMakeFiles/test_runner.dir/gen3dtest.cpp.o CMakeFiles/test_runner.dir/aliastest.cpp.o CMakeFiles/test_runner.dir/automorphismtest.cpp.o CMakeFiles/test_runner.dir/buildertest.cpp.o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o CMakeFiles/test_runner.dir/canonstabletest.cpp.o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cistranstest.cpp.o CMakeFiles/test_runner.dir/conversiontest.cpp.o CMakeFiles/test_runner.dir/fuzzregresstest.cpp.o CMakeFiles/test_runner.dir/graphsymtest.cpp.o CMakeFiles/test_runner.dir/gziptest.cpp.o CMakeFiles/test_runner.dir/addhtest.cpp.o CMakeFiles/test_runner.dir/implicitHtest.cpp.o CMakeFiles/test_runner.dir/ketformattest.cpp.o CMakeFiles/test_runner.dir/lssrtest.cpp.o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o CMakeFiles/test_runner.dir/multicmltest.cpp.o CMakeFiles/test_runner.dir/periodictest.cpp.o CMakeFiles/test_runner.dir/regressionstest.cpp.o CMakeFiles/test_runner.dir/rotortest.cpp.o CMakeFiles/test_runner.dir/shuffletest.cpp.o CMakeFiles/test_runner.dir/smilestest.cpp.o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o CMakeFiles/test_runner.dir/squareplanartest.cpp.o CMakeFiles/test_runner.dir/stereotest.cpp.o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o CMakeFiles/test_runner.dir/tautomertest.cpp.o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o CMakeFiles/test_runner.dir/maereadertest.cpp.o CMakeFiles/test_runner.dir/aromatest.cpp.o CMakeFiles/test_runner.dir/atom.cpp.o CMakeFiles/test_runner.dir/bond.cpp.o CMakeFiles/test_runner.dir/cansmi.cpp.o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o CMakeFiles/test_runner.dir/conversion.cpp.o CMakeFiles/test_runner.dir/datatest.cpp.o CMakeFiles/test_runner.dir/ffgaff.cpp.o CMakeFiles/test_runner.dir/ffghemical.cpp.o CMakeFiles/test_runner.dir/ffmmff94.cpp.o CMakeFiles/test_runner.dir/ffuff.cpp.o CMakeFiles/test_runner.dir/formalcharge.cpp.o CMakeFiles/test_runner.dir/format.cpp.o CMakeFiles/test_runner.dir/formula.cpp.o CMakeFiles/test_runner.dir/internalcoord.cpp.o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o CMakeFiles/test_runner.dir/iterators.cpp.o CMakeFiles/test_runner.dir/logp_psa.cpp.o CMakeFiles/test_runner.dir/math.cpp.o CMakeFiles/test_runner.dir/mol.cpp.o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o CMakeFiles/test_runner.dir/phmodel.cpp.o CMakeFiles/test_runner.dir/residue.cpp.o CMakeFiles/test_runner.dir/ringtest.cpp.o CMakeFiles/test_runner.dir/smartstest.cpp.o CMakeFiles/test_runner.dir/smartsparse.cpp.o CMakeFiles/test_runner.dir/smilesmatch.cpp.o CMakeFiles/test_runner.dir/unitcell.cpp.o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o CMakeFiles/test_runner.dir/obtest.cpp.o -o ../bin/test_runner ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [100%] Built target test_runner [100%] Linking CXX shared module /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/_openbabel.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_python.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wno-deprecated-declarations -Wno-deprecated-declarations -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/bindings_python.dir/link.d -o /build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python/openbabel/_openbabel.so "CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o" /usr/lib/i386-linux-gnu/libpython3.14.so ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [100%] Built target bindings_python [100%] Linking CXX shared module ../lib/i386-linux-gnu/OpenBabel.so cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/scripts && /usr/bin/cmake -E cmake_link_script CMakeFiles/bindings_perl.dir/link.txt --verbose=1 /usr/bin/i686-linux-gnu-g++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/openbabel-3.2.0+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wno-deprecated-declarations -Wno-deprecated-declarations -shared -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--no-undefined -lc -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/bindings_perl.dir/link.d -o ../lib/i386-linux-gnu/OpenBabel.so "CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o" /usr/lib/i386-linux-gnu/libperl.so.5.40 ../lib/i386-linux-gnu/libopenbabel.so.8.0.0 -ldl -lm -lpthread -lc -lcrypt make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' [100%] Built target bindings_perl make[3]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -C /build/reproducible-path/openbabel-3.2.0+dfsg/builddir docs make[2]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/cmake -P /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/build/reproducible-path/openbabel-3.2.0+dfsg -B/build/reproducible-path/openbabel-3.2.0+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 docs make[3]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/cmake -P /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/build/reproducible-path/openbabel-3.2.0+dfsg -B/build/reproducible-path/openbabel-3.2.0+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles 0 make -f CMakeFiles/Makefile2 doc/CMakeFiles/docs.dir/all make[4]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f doc/CMakeFiles/docs.dir/build.make doc/CMakeFiles/docs.dir/depend make[5]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/openbabel-3.2.0+dfsg /build/reproducible-path/openbabel-3.2.0+dfsg/doc /build/reproducible-path/openbabel-3.2.0+dfsg/builddir /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/doc /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/doc/CMakeFiles/docs.dir/DependInfo.cmake "--color=" docs make[5]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make -f doc/CMakeFiles/docs.dir/build.make doc/CMakeFiles/docs.dir/build make[5]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' cd /build/reproducible-path/openbabel-3.2.0+dfsg && /usr/bin/doxygen /build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile warning: Tag 'TCL_SUBST' at line 203 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'SYMBOL_CACHE_SIZE' at line 336 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'COLS_IN_ALPHA_INDEX' at line 867 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'HTML_TIMESTAMP' at line 963 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'FORMULA_TRANSPARENT' at line 1185 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'LATEX_SOURCE_CODE' at line 1324 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'XML_SCHEMA' at line 1422 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'XML_DTD' at line 1428 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'PERL_PATH' at line 1599 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'CLASS_DIAGRAMS' at line 1611 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'MSCGEN_PATH' at line 1620 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTNAME' at line 1650 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_FONTSIZE' at line 1655 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: Tag 'DOT_TRANSPARENT' at line 1804 of file '/build/reproducible-path/openbabel-3.2.0+dfsg/Doxyfile' has become obsolete. To avoid this warning please remove this line from your configuration file or upgrade it using "doxygen -u" warning: argument 'a4wide' for option PAPER_TYPE is not a valid enum value Using the default: a4! warning: doxygen no longer ships with the FreeSans font. You may want to clear or change DOT_FONTNAME. Otherwise you run the risk that the wrong font is being used for dot generated graphs. /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:582: warning: unbalanced grouping commands /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/tetraplanar.h:37: warning: multiple use of section label 'Combinations' while adding section, (first occurrence: /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/stereo/tetranonplanar.h, line 40) /build/reproducible-path/openbabel-3.2.0+dfsg/src/atom.cpp:1889: warning: Reached end of file while still searching closing '`' of a verbatim block starting at line 78 /build/reproducible-path/openbabel-3.2.0+dfsg/src/atom.cpp:1889: warning: Reached end of file while still inside a (nested) comment. Nesting level 1 (possible line reference(s): 49) /build/reproducible-path/openbabel-3.2.0+dfsg/src/atom.cpp:105: warning: Found end of C comment inside a '`' block without matching start of the comment! Maybe the end marker for the block is missing? /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:108: warning: the name 'based' supplied as the argument of the \class, \struct, \union, or \include command is not an input file /build/reproducible-path/openbabel-3.2.0+dfsg/src/confsearch.cpp:336: warning: documented symbol 'int DiverseConfGen' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/dlhandler_win32.cpp:32: warning: no matching file member found for bool tokenize(std::vector< std::string > &, const char *, const char *) Possible candidates: 'bool tokenize(std::vector< std::string > &, const char *buf, const char *delimstr=" \t\n\r")' at line 36 of file /build/reproducible-path/openbabel-3.2.0+dfsg/src/tokenst.cpp 'bool tokenize(std::vector< std::string > &, std::string &, const char *delimstr=" \t\n\r", int limit=-1)' at line 98 of file /build/reproducible-path/openbabel-3.2.0+dfsg/src/tokenst.cpp /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:455: warning: documented symbol 'OBRandom' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:467: warning: documented symbol 'int NextInt' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:484: warning: documented symbol 'double NextFloat' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:502: warning: documented symbol 'void TimeSeed' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:524: warning: no matching class member found for double Normal(double mu, double sigma) Possible candidates: 'double OBRandomMT::Normal(double mu, double sigma) const' at line 149 of file /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:533: warning: no matching class member found for bool Bernoulli(double p) Possible candidates: 'bool OBRandomMT::Bernoulli(double p=0.5) const' at line 151 of file /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:552: warning: documented symbol 'int NextInt' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.cpp:556: warning: documented symbol 'double NextFloat' was not declared or defined. /build/reproducible-path/openbabel-3.2.0+dfsg/src/tokenst.cpp:36: warning: no matching file member found for bool tokenize(std::vector< std::string > &vcr, const char *buf, const char *delimstr) Possible candidates: 'bool tokenize(std::vector< std::string > &, const char *buf, const char *delimstr=" \t\n\r")' at line 36 of file /build/reproducible-path/openbabel-3.2.0+dfsg/src/tokenst.cpp 'bool tokenize(std::vector< std::string > &, std::string &, const char *delimstr=" \t\n\r", int limit=-1)' at line 98 of file /build/reproducible-path/openbabel-3.2.0+dfsg/src/tokenst.cpp Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/canon.h:28: warning: found documented return type for OpenBabel::CanonicalLabels that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/data_utilities.h:40: warning: The following parameters of OpenBabel::extract_thermochemistry(OpenBabel::OBMol &mol, bool bVerbose, int *Nsymm, int Nrotbonds, double dbdt, double *temperature, double *DeltaHf0, double *DeltaHfT, double *DeltaGfT, double *DeltaSfT, double *S0T, double *CVT, double *CPT, std::vector< double > &Scomponents, double *ZPVE) are not documented: parameter 'Nrotbonds' parameter 'dbdt' parameter 'CPT' parameter 'ZPVE' /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:104: warning: argument 'a' of command @param is not found in the argument list of OpenBabel::OB_DEPRECATED_MSG("use OBRandomMT instead") /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:104: warning: argument 'b' of command @param is not found in the argument list of OpenBabel::OB_DEPRECATED_MSG("use OBRandomMT instead") /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:104: warning: argument 'mu' of command @param is not found in the argument list of OpenBabel::OB_DEPRECATED_MSG("use OBRandomMT instead") /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:104: warning: argument 'sigma' of command @param is not found in the argument list of OpenBabel::OB_DEPRECATED_MSG("use OBRandomMT instead") /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:104: warning: argument 'p' of command @param is not found in the argument list of OpenBabel::OB_DEPRECATED_MSG("use OBRandomMT instead") /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/data.h:163: warning: argument 'Unnamed' of command @param is not found in the argument list of OBAtomicHeatOfFormationTable::ParseLine(const char *line) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/data.h:163: warning: The following parameter of OpenBabel::OBAtomicHeatOfFormationTable::ParseLine(const char *line) is not documented: parameter 'line' /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/data.h:167: warning: argument 'dhof1' of command @param is not found in the argument list of OBAtomicHeatOfFormationTable::GetHeatOfFormation(std::string elem, int charge, std::string method, double T, double *dhof0, double *dhofT, double *S0T) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/data.h:167: warning: The following parameter of OpenBabel::OBAtomicHeatOfFormationTable::GetHeatOfFormation(std::string elem, int charge, std::string method, double T, double *dhof0, double *dhofT, double *S0T) is not documented: parameter 'dhofT' /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:154: warning: found documented return type for OpenBabel::OBFFCalculation2::SetupPointers that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:183: warning: found documented return type for OpenBabel::OBFFCalculation3::SetupPointers that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:214: warning: found documented return type for OpenBabel::OBFFCalculation4::SetupPointers that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:910: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::Energy(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:920: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_Bond(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:927: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_Angle(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:934: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_StrBnd(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:941: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_Torsion(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:948: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_OOP(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:955: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_VDW(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/forcefield.h:962: warning: argument 'gradients' of command @param is not found in the argument list of OBForceField::E_Electrostatic(bool=true) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:508: warning: argument 'cart' of command @param is not found in the argument list of OBUnitCell::MinimumImageFractional(vector3 frac) /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/generic.h:508: warning: The following parameter of OpenBabel::OBUnitCell::MinimumImageFractional(vector3 frac) is not documented: parameter 'frac' /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/griddata.h:53: warning: found documented return type for OpenBabel::OBGridData::GetAxes that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/griddata.h:63: warning: found documented return type for OpenBabel::OBGridData::GetAxes that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/griddata.h:65: warning: found documented return type for OpenBabel::OBGridData::GetNumberOfPoints that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/griddata.h:69: warning: found documented return type for OpenBabel::OBGridData::GetNumberOfSteps that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:90: warning: found documented return type for OpenBabel::OBRotamerList::GetReferenceArray that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotamer.h:110: warning: found documented return type for OpenBabel::OBRotamerList::ExpandConformerList that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/rotor.h:70: warning: found documented return type for OpenBabel::OBRotorRule::GetReferenceAtoms that does not return anything /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/text.h:41: warning: argument pos from the argument list of OpenBabel::OBText::GetText has multiple @param documentation sections /build/reproducible-path/openbabel-3.2.0+dfsg/include/openbabel/text.h:41: warning: argument ToInsertOnly from the argument list of OpenBabel::OBText::GetText has multiple @param documentation sections /build/reproducible-path/openbabel-3.2.0+dfsg/src/rand.h:120: warning: argument 'seed' of command @param is not found in the argument list of OBRandomMT::OB_DEPRECATED_MSG("use Reset instead") Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig Fontconfig error: No writable cache directories /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig Fontconfig error: No writable cache directories /var/cache/fontconfig /sbuild-nonexistent/.cache/fontconfig /sbuild-nonexistent/.fontconfig make[5]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' Built target docs make[4]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles 0 make[3]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[2]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' debian/rules override_dh_auto_test make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu \ LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu \ dh_auto_test cd builddir && make -j6 test ARGS\+=--verbose ARGS\+=-j6 make[2]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' Running tests... /usr/bin/ctest --verbose -j6 UpdateCTestConfiguration from :/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/DartConfiguration.tcl Parse Config file:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/DartConfiguration.tcl Test project /build/reproducible-path/openbabel-3.2.0+dfsg/builddir Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end Connected to MAKE jobserver test 1 Start 1: test_align_1 1: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aligntest" "1" 1: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 1: Environment variables: 1: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 1: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 1: Test timeout computed to be: 1500 test 2 Start 2: test_align_2 2: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aligntest" "2" 2: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 2: Environment variables: 2: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 2: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 2: Test timeout computed to be: 1500 test 3 Start 3: test_align_3 3: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aligntest" "3" 3: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 3: Environment variables: 3: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 3: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 3: Test timeout computed to be: 1500 test 4 Start 4: test_align_4 4: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aligntest" "4" 4: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 4: Environment variables: 4: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 4: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 4: Test timeout computed to be: 1500 test 5 Start 5: test_align_5 5: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aligntest" "5" 5: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 5: Environment variables: 5: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 5: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 5: Test timeout computed to be: 1500 test 6 Start 6: test_distgeom_1 6: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "distgeomtest" "1" 6: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 6: Environment variables: 6: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 6: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 6: Test timeout computed to be: 1500 1/333 Test #1: test_align_1 ........................................................................................ Passed 0.01 sec 2/333 Test #2: test_align_2 ........................................................................................ Passed 0.01 sec 3/333 Test #3: test_align_3 ........................................................................................ Passed 0.01 sec test 7 Start 7: test_distgeom_2 7: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "distgeomtest" "2" 7: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 7: Environment variables: 7: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 7: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 7: Test timeout computed to be: 1500 test 8 Start 8: test_distgeom_3 8: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "distgeomtest" "3" 8: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 8: Environment variables: 8: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 8: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 8: Test timeout computed to be: 1500 test 9 Start 9: test_distgeom_4 9: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "distgeomtest" "4" 9: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 9: Environment variables: 9: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 9: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 9: Test timeout computed to be: 1500 6: Testing: N[C@](Br)(O)C 7: Testing: C1CC[C@H]2[C@@H](C1)CCCC2 8: Testing: [C@H]1(NC[C@H]2[C@H]1N2)OC 9: Testing: CCC[C@@H]([C@H](CC(C)C)C)C 6: OK 6: Testing: N[C@@](Br)(O)C 6: OK 4/333 Test #6: test_distgeom_1 ..................................................................................... Passed 0.03 sec test 10 Start 10: test_distgeom_5 10: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "distgeomtest" "5" 10: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 10: Environment variables: 10: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 10: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 10: Test timeout computed to be: 1500 10: Testing: C/C=C\C 7: OK 7: Testing: C1CC[C@@H]2[C@@H](C1)CCCC2 7: OK 5/333 Test #7: test_distgeom_2 ..................................................................................... Passed 0.04 sec test 11 Start 11: test_distgeom_20 11: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "distgeomtest" "20" 11: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 11: Environment variables: 11: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 11: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 11: Test timeout computed to be: 1500 11: Testing: OC[C@H]([C@H](S)CC)C 9: OK 6/333 Test #9: test_distgeom_4 ..................................................................................... Passed 0.05 sec test 12 Start 12: test_gen3d_1 12: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "gen3dtest" "1" 12: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 12: Environment variables: 12: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 12: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 12: Test timeout computed to be: 1500 12: Testing gen3D(3): c1ccccc1 10: OK 10: Testing: C/C=C/C 10: OK 7/333 Test #10: test_distgeom_5 ..................................................................................... Passed 0.03 sec test 13 Start 13: test_gen3d_2 13: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "gen3dtest" "2" 13: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 13: Environment variables: 13: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 13: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 13: Test timeout computed to be: 1500 8/333 Test #4: test_align_4 ........................................................................................ Passed 0.07 sec 9/333 Test #5: test_align_5 ........................................................................................ Passed 0.07 sec test 14 Start 14: test_gen3d_3 14: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "gen3dtest" "3" 14: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 14: Environment variables: 14: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 14: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 14: Test timeout computed to be: 1500 test 15 Start 15: test_gen3d_4 15: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "gen3dtest" "4" 15: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 15: Environment variables: 15: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 15: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 15: Test timeout computed to be: 1500 13: Testing gen3D(3): C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N 14: Testing gen3D(3): N[C@](Br)(O)C 15: Testing gen3D(3): C1CC[C@H]2[C@@H](C1)CCCC2 11: OK 11: Testing: OC[C@@H]([C@@H](S)CC)C 11: OK 11: Testing: OC[C@@H]([C@H](S)CC)C 11: OK 11: Testing: C[C@H]([C@@H](C(=O)O)N)O 11: OK 11: Testing: C[C@@H]([C@H](C(=O)O)N)O 11: OK 11: Testing: C[C@@H]([C@@H](C(=O)O)N)O 11: OK 11: Testing: [C@@H]([C@H](C(=O)O)O)(C(=O)O)O 11: OK 11: Testing: [C@H]([C@@H](C(=O)O)O)(C(=O)O)O 11: OK 11: Testing: [C@H]([C@H](C(=O)O)O)(C(=O)O)O 11: OK 11: Testing: C[C@H]([C@@H](C)O)O 11: OK 11: Testing: C[C@@H]([C@H](C)O)O 11: OK 11: Testing: C[C@@H]([C@@H](C)O)O 11: OK 10/333 Test #11: test_distgeom_20 .................................................................................... Passed 0.11 sec test 16 Start 16: test_gen3d_6 16: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "gen3dtest" "6" 16: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 16: Environment variables: 16: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 16: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 16: Test timeout computed to be: 1500 16: Testing gen3D(3): OC[C@H]([C@H](S)CC)C 8: OK 11/333 Test #8: test_distgeom_3 ..................................................................................... Passed 4.58 sec test 17 Start 17: test_alias_1 17: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aliastest" "1" 17: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 17: Environment variables: 17: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 17: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 17: Test timeout computed to be: 1500 17: 12/333 Test #17: test_alias_1 ........................................................................................ Passed 0.23 sec test 18 Start 18: test_automorphism_1 18: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "1" 18: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 18: Environment variables: 18: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 18: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 18: Test timeout computed to be: 1500 18: testAutomorphisms 18: 8 13/333 Test #18: test_automorphism_1 ................................................................................. Passed 0.15 sec test 19 Start 19: test_automorphism_2 19: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "2" 19: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 19: Environment variables: 19: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 19: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 19: Test timeout computed to be: 1500 19: Hao, Xu paper, fig. 2: structure 1 14/333 Test #19: test_automorphism_2 ................................................................................. Passed 0.10 sec test 20 Start 20: test_automorphism_3 20: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "3" 20: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 20: Environment variables: 20: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 20: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 20: Test timeout computed to be: 1500 20: Hao, Xu paper, fig. 2: structure 2 15/333 Test #20: test_automorphism_3 ................................................................................. Passed 0.07 sec test 21 Start 21: test_automorphism_4 21: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "4" 21: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 21: Environment variables: 21: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 21: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 21: Test timeout computed to be: 1500 21: Hao, Xu paper, fig. 2: structure 3 16/333 Test #21: test_automorphism_4 ................................................................................. Passed 0.08 sec test 22 Start 22: test_automorphism_5 22: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "5" 22: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 22: Environment variables: 22: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 22: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 22: Test timeout computed to be: 1500 22: Hao, Xu paper, fig. 2: structure 4 17/333 Test #22: test_automorphism_5 ................................................................................. Passed 0.09 sec test 23 Start 23: test_automorphism_6 23: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "6" 23: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 23: Environment variables: 23: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 23: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 23: Test timeout computed to be: 1500 23: Hao, Xu paper, fig. 2: structure 5 18/333 Test #23: test_automorphism_6 ................................................................................. Passed 0.11 sec test 24 Start 24: test_automorphism_7 24: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "7" 24: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 24: Environment variables: 24: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 24: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 24: Test timeout computed to be: 1500 24: Hao, Xu paper, fig. 2: structure 6 19/333 Test #24: test_automorphism_7 ................................................................................. Passed 0.12 sec test 25 Start 25: test_automorphism_8 25: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "8" 25: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 25: Environment variables: 25: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 25: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 25: Test timeout computed to be: 1500 25: Hao, Xu paper, fig. 2: structure 7 20/333 Test #25: test_automorphism_8 ................................................................................. Passed 0.16 sec test 26 Start 26: test_automorphism_9 26: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "9" 26: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 26: Environment variables: 26: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 26: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 26: Test timeout computed to be: 1500 26: Hao, Xu paper, fig. 2: structure 8 21/333 Test #26: test_automorphism_9 ................................................................................. Passed 0.14 sec test 27 Start 27: test_automorphism_10 27: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "automorphismtest" "10" 27: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 27: Environment variables: 27: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 27: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 27: Test timeout computed to be: 1500 27: Hao, Xu paper, fig. 2: structure 9 22/333 Test #27: test_automorphism_10 ................................................................................ Passed 0.15 sec test 28 Start 28: test_builder_1 28: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "1" 28: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 28: Environment variables: 28: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 28: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 28: Test timeout computed to be: 1500 28: Starting forcefield.sdf 28: 12: OK 12: Testing gen3D(3): CC(=O)O 14: OK 14: Testing gen3D(3): N[C@@](Br)(O)C 12: OK 12: Testing gen3D(3): N[C@@H](C)C(=O)O 15: OK 15: Testing gen3D(3): C1CC[C@@H]2[C@@H](C1)CCCC2 14: OK 14: Testing gen3D(3): C[C@H]([C@@H](C(=O)O)N)O 16: Warning: Stereochemistry is wrong, using distance geometry instead 15: OK 23/333 Test #15: test_gen3d_4 ........................................................................................ Passed 54.27 sec test 29 Start 29: test_builder_2 29: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "2" 29: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 29: Environment variables: 29: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 29: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 29: Test timeout computed to be: 1500 29: Starting filterset.sdf 29: 56 13: OK 13: Testing gen3D(3): [2HH].[Li] 13: OK 24/333 Test #13: test_gen3d_2 ........................................................................................ Passed 60.99 sec test 30 Start 30: test_builder_3 30: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "3" 30: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 30: Environment variables: 30: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 30: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 30: Test timeout computed to be: 1500 30: SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1 25/333 Test #30: test_builder_3 ...................................................................................... Passed 0.41 sec test 31 Start 31: test_builder_4 31: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "4" 31: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 31: Environment variables: 31: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 31: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 31: Test timeout computed to be: 1500 31: SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2 26/333 Test #31: test_builder_4 ...................................................................................... Passed 0.40 sec test 32 Start 32: test_builder_5 32: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "5" 32: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 32: Environment variables: 32: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 32: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 32: Test timeout computed to be: 1500 32: SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O 32: ============================== 32: *** Open Babel Warning in ParseSmiles 32: Ignoring stereochemistry. Not enough connections to this atom. 27/333 Test #32: test_builder_5 ...................................................................................... Passed 0.40 sec test 33 Start 33: test_builder_6 33: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "6" 33: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 33: Environment variables: 33: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 33: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 33: Test timeout computed to be: 1500 33: SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1 28/333 Test #33: test_builder_6 ...................................................................................... Passed 0.37 sec test 34 Start 34: test_builder_7 34: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "7" 34: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 34: Environment variables: 34: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 34: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 34: Test timeout computed to be: 1500 34: Ring closure: C1CCCCCC1 (max bond 1.8) 34: Ring closure: C1CCCCCCC1 (max bond 1.8) 34: Ring closure: C1CCCCCCCCCCC1 (max bond 1.8) 29/333 Test #34: test_builder_7 ...................................................................................... Passed 0.34 sec test 35 Start 35: test_builder_8 35: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "8" 35: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 35: Environment variables: 35: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 35: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 35: Test timeout computed to be: 1500 35: Ring closure: C1CCCCCCCCCCCCCCCCCC1 (max bond 2) 35: Ring closure: C1CCCCCCCCCCCCCCCCCCCCC1 (max bond 2.5) 35: Ring closure: C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCC1 (max bond 2.6) 35: Ring closure: C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1 (max bond 2) 35: Ring closure: C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1 (max bond 2) 35: Ring closure: C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1 (max bond 2) 30/333 Test #35: test_builder_8 ...................................................................................... Passed 7.50 sec test 36 Start 36: test_builder_9 36: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "9" 36: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 36: Environment variables: 36: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 36: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 36: Test timeout computed to be: 1500 36: Ring closure: C1CCC2CCCCC2C1 (max bond 2.2) 36: Ring closure: C1CC2CCC1C2 (max bond 2.2) 31/333 Test #36: test_builder_9 ...................................................................................... Passed 0.42 sec test 37 Start 37: test_builder_10 37: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "buildertest" "10" 37: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 37: Environment variables: 37: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 37: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 37: Test timeout computed to be: 1500 37: Ring closure: C1=CC=CC=CC=N1 (max bond 1.8) 32/333 Test #37: test_builder_10 ..................................................................................... Passed 0.37 sec test 38 Start 38: test_canonconsistent_1 38: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "canonconsistenttest" "1" 38: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 38: Environment variables: 38: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 38: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 38: Test timeout computed to be: 1500 38: PASSED TESTS: 18/18 33/333 Test #38: test_canonconsistent_1 .............................................................................. Passed 0.81 sec test 39 Start 39: test_canonconsistent_2 39: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "canonconsistenttest" "2" 39: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 39: Environment variables: 39: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 39: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 39: Test timeout computed to be: 1500 39: PASSED TESTS: 10/10 34/333 Test #39: test_canonconsistent_2 .............................................................................. Passed 0.16 sec test 40 Start 40: test_canonconsistent_3 40: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "canonconsistenttest" "3" 40: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 40: Environment variables: 40: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 40: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 40: Test timeout computed to be: 1500 40: PASSED TESTS: 20/20 35/333 Test #40: test_canonconsistent_3 .............................................................................. Passed 0.18 sec test 41 Start 41: test_canonfragment_1 41: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "canonfragmenttest" "1" 41: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 41: Environment variables: 41: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 41: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 41: Test timeout computed to be: 1500 36/333 Test #41: test_canonfragment_1 ................................................................................ Passed 0.14 sec test 42 Start 42: test_canonstable_1 42: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "canonstabletest" "1" 42: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 42: Environment variables: 42: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 42: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 42: Test timeout computed to be: 1500 12: OK 37/333 Test #12: test_gen3d_1 ........................................................................................ Passed 84.78 sec test 43 Start 43: test_carspacegroup_1 43: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "carspacegrouptest" "1" 43: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 43: Environment variables: 43: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 43: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 43: Test timeout computed to be: 1500 38/333 Test #43: test_carspacegroup_1 ................................................................................ Passed 0.12 sec test 44 Start 44: test_carspacegroup_2 44: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "carspacegrouptest" "2" 44: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 44: Environment variables: 44: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 44: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 44: Test timeout computed to be: 1500 39/333 Test #44: test_carspacegroup_2 ................................................................................ Passed 1.44 sec test 45 Start 45: test_carspacegroup_3 45: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "carspacegrouptest" "3" 45: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 45: Environment variables: 45: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 45: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 45: Test timeout computed to be: 1500 40/333 Test #45: test_carspacegroup_3 ................................................................................ Passed 1.43 sec test 46 Start 46: test_carspacegroup_4 46: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "carspacegrouptest" "4" 46: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 46: Environment variables: 46: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 46: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 46: Test timeout computed to be: 1500 41/333 Test #46: test_carspacegroup_4 ................................................................................ Passed 1.46 sec test 47 Start 47: test_cifspacegroup_1 47: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "1" 47: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 47: Environment variables: 47: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 47: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 47: Test timeout computed to be: 1500 42/333 Test #47: test_cifspacegroup_1 ................................................................................ Passed 1.48 sec test 48 Start 48: test_cifspacegroup_2 48: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "2" 48: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 48: Environment variables: 48: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 48: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 48: Test timeout computed to be: 1500 43/333 Test #48: test_cifspacegroup_2 ................................................................................ Passed 1.44 sec test 49 Start 49: test_cifspacegroup_3 49: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "3" 49: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 49: Environment variables: 49: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 49: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 49: Test timeout computed to be: 1500 44/333 Test #49: test_cifspacegroup_3 ................................................................................ Passed 0.02 sec test 50 Start 50: test_cifspacegroup_4 50: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "4" 50: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 50: Environment variables: 50: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 50: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 50: Test timeout computed to be: 1500 50: ============================== 50: *** Open Babel Warning in Find 50: Unknown space group error, please file a bug report. 50: ============================== 50: *** Open Babel Warning in Do 50: Converting to P 1 cell using available symmetry transformations. 45/333 Test #50: test_cifspacegroup_4 ................................................................................ Passed 1.42 sec test 51 Start 51: test_cifspacegroup_5 51: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "5" 51: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 51: Environment variables: 51: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 51: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 51: Test timeout computed to be: 1500 14: Warning: Stereochemistry is wrong, using distance geometry instead 46/333 Test #51: test_cifspacegroup_5 ................................................................................ Passed 1.53 sec test 52 Start 52: test_cifspacegroup_6 52: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "6" 52: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 52: Environment variables: 52: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 52: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 52: Test timeout computed to be: 1500 47/333 Test #42: test_canonstable_1 .................................................................................. Passed 23.53 sec test 53 Start 53: test_cifspacegroup_7 53: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "7" 53: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 53: Environment variables: 53: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 53: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 53: Test timeout computed to be: 1500 48/333 Test #52: test_cifspacegroup_6 ................................................................................ Passed 1.35 sec test 54 Start 54: test_cifspacegroup_8 54: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "8" 54: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 54: Environment variables: 54: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 54: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 54: Test timeout computed to be: 1500 16: OK 16: Testing gen3D(3): OC[C@@H]([C@@H](S)CC)C 49/333 Test #53: test_cifspacegroup_7 ................................................................................ Passed 1.55 sec test 55 Start 55: test_cifspacegroup_9 55: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "9" 55: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 55: Environment variables: 55: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 55: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 55: Test timeout computed to be: 1500 50/333 Test #54: test_cifspacegroup_8 ................................................................................ Passed 1.66 sec test 56 Start 56: test_cifspacegroup_10 56: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "10" 56: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 56: Environment variables: 56: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 56: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 56: Test timeout computed to be: 1500 51/333 Test #55: test_cifspacegroup_9 ................................................................................ Passed 1.55 sec test 57 Start 57: test_cifspacegroup_11 57: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "11" 57: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 57: Environment variables: 57: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 57: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 57: Test timeout computed to be: 1500 52/333 Test #56: test_cifspacegroup_10 ............................................................................... Passed 1.40 sec test 58 Start 58: test_cifspacegroup_12 58: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "12" 58: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 58: Environment variables: 58: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 58: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 58: Test timeout computed to be: 1500 53/333 Test #57: test_cifspacegroup_11 ............................................................................... Passed 1.57 sec test 59 Start 59: test_cifspacegroup_13 59: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cifspacegrouptest" "13" 59: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 59: Environment variables: 59: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 59: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 59: Test timeout computed to be: 1500 54/333 Test #59: test_cifspacegroup_13 ............................................................................... Passed 0.24 sec test 60 Start 60: test_cistrans_1 60: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "1" 60: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 60: Environment variables: 60: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 60: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 60: Test timeout computed to be: 1500 55/333 Test #60: test_cistrans_1 ..................................................................................... Passed 0.01 sec test 61 Start 61: test_cistrans_2 61: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "2" 61: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 61: Environment variables: 61: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 61: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 61: Test timeout computed to be: 1500 56/333 Test #61: test_cistrans_2 ..................................................................................... Passed 0.02 sec test 62 Start 62: test_cistrans_3 62: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "3" 62: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 62: Environment variables: 62: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 62: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 62: Test timeout computed to be: 1500 62: ============================== 62: *** Open Babel Error in SetConfig 62: OBCisTransStereo::SetConfig : double bond begin id is invalid. 62: ============================== 62: *** Open Babel Error in SetConfig 62: OBCisTransStereo::SetConfig : double bond end id is invalid. 62: ============================== 62: *** Open Babel Error in SetConfig 62: OBCisTransStereo::SetConfig : found 0 reference ids, should be 4. 57/333 Test #62: test_cistrans_3 ..................................................................................... Passed 0.01 sec test 63 Start 63: test_cistrans_4 63: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "4" 63: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 63: Environment variables: 63: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 63: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 63: Test timeout computed to be: 1500 58/333 Test #63: test_cistrans_4 ..................................................................................... Passed 0.01 sec test 64 Start 64: test_cistrans_5 64: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "5" 64: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 64: Environment variables: 64: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 64: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 64: Test timeout computed to be: 1500 59/333 Test #64: test_cistrans_5 ..................................................................................... Passed 0.00 sec test 65 Start 65: test_cistrans_6 65: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "6" 65: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 65: Environment variables: 65: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 65: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 65: Test timeout computed to be: 1500 60/333 Test #58: test_cifspacegroup_12 ............................................................................... Passed 1.50 sec test 66 Start 66: test_cistrans_7 66: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "7" 66: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 66: Environment variables: 66: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 66: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 66: Test timeout computed to be: 1500 61/333 Test #65: test_cistrans_6 ..................................................................................... Passed 0.12 sec test 67 Start 67: test_cistrans_8 67: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "8" 67: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 67: Environment variables: 67: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 67: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 67: Test timeout computed to be: 1500 62/333 Test #66: test_cistrans_7 ..................................................................................... Passed 0.13 sec test 68 Start 68: test_cistrans_9 68: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cistranstest" "9" 68: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 68: Environment variables: 68: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 68: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 68: Test timeout computed to be: 1500 67: ============================== 67: *** Open Babel Information in IsOnSameAtom 67: OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens. 63/333 Test #67: test_cistrans_8 ..................................................................................... Passed 0.08 sec test 69 Start 69: test_conversion_1 69: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "conversiontest" "1" 69: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 69: Environment variables: 69: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 69: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 69: Test timeout computed to be: 1500 68: ============================== 68: *** Open Babel Information in IsOnSameAtom 68: OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens. 64/333 Test #68: test_cistrans_9 ..................................................................................... Passed 0.13 sec test 70 Start 70: test_fuzzregress_1 70: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "1" 70: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 70: Environment variables: 70: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 70: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 70: Test timeout computed to be: 1500 65/333 Test #69: test_conversion_1 ................................................................................... Passed 0.13 sec test 71 Start 71: test_fuzzregress_2 71: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "2" 71: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 71: Environment variables: 71: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 71: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 71: Test timeout computed to be: 1500 71: ============================== 71: *** Open Babel Warning in Translate 71: Cannot perform atom type translation: table cannot find requested types. 71: ============================== 71: *** Open Babel Warning in Translate 71: Cannot perform atom type translation: table cannot find requested types. 66/333 Test #71: test_fuzzregress_2 .................................................................................. Passed 0.12 sec test 72 Start 72: test_fuzzregress_3 72: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "3" 72: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 72: Environment variables: 72: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 72: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 72: Test timeout computed to be: 1500 67/333 Test #72: test_fuzzregress_3 .................................................................................. Passed 0.08 sec test 73 Start 73: test_fuzzregress_4 73: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "4" 73: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 73: Environment variables: 73: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 73: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 73: Test timeout computed to be: 1500 68/333 Test #70: test_fuzzregress_1 .................................................................................. Passed 1.48 sec test 74 Start 74: test_fuzzregress_5 74: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "5" 74: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 74: Environment variables: 74: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 74: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 74: Test timeout computed to be: 1500 69/333 Test #74: test_fuzzregress_5 .................................................................................. Passed 0.14 sec test 75 Start 75: test_fuzzregress_6 75: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "6" 75: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 75: Environment variables: 75: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 75: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 75: Test timeout computed to be: 1500 70/333 Test #75: test_fuzzregress_6 .................................................................................. Passed 0.16 sec test 76 Start 76: test_fuzzregress_7 76: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "7" 76: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 76: Environment variables: 76: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 76: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 76: Test timeout computed to be: 1500 71/333 Test #76: test_fuzzregress_7 .................................................................................. Passed 0.15 sec test 77 Start 77: test_fuzzregress_8 77: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "8" 77: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 77: Environment variables: 77: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 77: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 77: Test timeout computed to be: 1500 72/333 Test #77: test_fuzzregress_8 .................................................................................. Passed 0.14 sec test 78 Start 78: test_fuzzregress_9 78: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "9" 78: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 78: Environment variables: 78: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 78: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 78: Test timeout computed to be: 1500 73/333 Test #78: test_fuzzregress_9 .................................................................................. Passed 0.13 sec test 79 Start 79: test_fuzzregress_10 79: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "10" 79: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 79: Environment variables: 79: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 79: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 79: Test timeout computed to be: 1500 74/333 Test #79: test_fuzzregress_10 ................................................................................. Passed 0.11 sec test 80 Start 80: test_fuzzregress_11 80: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "11" 80: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 80: Environment variables: 80: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 80: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 80: Test timeout computed to be: 1500 75/333 Test #80: test_fuzzregress_11 ................................................................................. Passed 0.11 sec test 81 Start 81: test_fuzzregress_12 81: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "12" 81: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 81: Environment variables: 81: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 81: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 81: Test timeout computed to be: 1500 76/333 Test #81: test_fuzzregress_12 ................................................................................. Passed 0.11 sec test 82 Start 82: test_fuzzregress_13 82: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "13" 82: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 82: Environment variables: 82: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 82: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 82: Test timeout computed to be: 1500 77/333 Test #82: test_fuzzregress_13 ................................................................................. Passed 0.11 sec test 83 Start 83: test_fuzzregress_14 83: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "14" 83: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 83: Environment variables: 83: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 83: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 83: Test timeout computed to be: 1500 78/333 Test #83: test_fuzzregress_14 ................................................................................. Passed 0.11 sec test 84 Start 84: test_fuzzregress_15 84: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "15" 84: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 84: Environment variables: 84: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 84: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 84: Test timeout computed to be: 1500 84: ============================== 84: *** Open Babel Error in ReadMolecule 84: Cannot read external geometry file! 79/333 Test #84: test_fuzzregress_15 ................................................................................. Passed 0.11 sec test 85 Start 85: test_fuzzregress_16 85: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "16" 85: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 85: Environment variables: 85: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 85: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 85: Test timeout computed to be: 1500 80/333 Test #73: test_fuzzregress_4 .................................................................................. Passed 2.62 sec test 86 Start 86: test_fuzzregress_17 86: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "17" 86: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 86: Environment variables: 86: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 86: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 86: Test timeout computed to be: 1500 81/333 Test #85: test_fuzzregress_16 ................................................................................. Passed 0.09 sec test 87 Start 87: test_fuzzregress_18 87: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "18" 87: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 87: Environment variables: 87: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 87: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 87: Test timeout computed to be: 1500 82/333 Test #86: test_fuzzregress_17 ................................................................................. Passed 0.16 sec test 88 Start 88: test_fuzzregress_19 88: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "19" 88: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 88: Environment variables: 88: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 88: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 88: Test timeout computed to be: 1500 83/333 Test #87: test_fuzzregress_18 ................................................................................. Passed 0.12 sec test 89 Start 89: test_fuzzregress_20 89: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "20" 89: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 89: Environment variables: 89: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 89: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 89: Test timeout computed to be: 1500 89: ============================== 89: *** Open Babel Warning in ReadMolecule 89: Error reading PQS file. GEOM card not found! 84/333 Test #88: test_fuzzregress_19 ................................................................................. Passed 0.11 sec test 90 Start 90: test_fuzzregress_21 90: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "21" 90: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 90: Environment variables: 90: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 90: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 90: Test timeout computed to be: 1500 85/333 Test #89: test_fuzzregress_20 ................................................................................. Passed 0.12 sec test 91 Start 91: test_fuzzregress_22 91: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "22" 91: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 91: Environment variables: 91: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 91: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 91: Test timeout computed to be: 1500 86/333 Test #91: test_fuzzregress_22 ................................................................................. Passed 0.11 sec test 92 Start 92: test_fuzzregress_23 92: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "23" 92: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 92: Environment variables: 92: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 92: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 92: Test timeout computed to be: 1500 92: # skip CVE-2025-10995: corpus file missing (/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/fuzz_regress/cve-2025-10995.sdf.gz) 87/333 Test #92: test_fuzzregress_23 ................................................................................. Passed 0.01 sec test 93 Start 93: test_fuzzregress_24 93: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "24" 93: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 93: Environment variables: 93: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 93: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 93: Test timeout computed to be: 1500 88/333 Test #90: test_fuzzregress_21 ................................................................................. Passed 0.14 sec test 94 Start 94: test_fuzzregress_25 94: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "25" 94: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 94: Environment variables: 94: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 94: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 94: Test timeout computed to be: 1500 89/333 Test #93: test_fuzzregress_24 ................................................................................. Passed 0.11 sec test 95 Start 95: test_fuzzregress_26 95: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "26" 95: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 95: Environment variables: 95: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 95: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 95: Test timeout computed to be: 1500 90/333 Test #94: test_fuzzregress_25 ................................................................................. Passed 0.13 sec test 96 Start 96: test_fuzzregress_27 96: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "27" 96: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 96: Environment variables: 96: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 96: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 96: Test timeout computed to be: 1500 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Error in ChemDoodleJSONFormat 96: No 2D or 3D coordinates exist. To generate 2D or 3D coordinates use --gen2D or --gen3D. 96: ============================== 96: *** Open Babel Error in ChemicalJSONFormat 96: No 3D coordinates exist. To 3D coordinates use --gen3D. 96: Need to specify a reference file 96: Not a valid output format============================== 96: *** Open Babel Warning in WriteMolecule 96: The molecule has no grid. 96: ============================== 96: *** Open Babel Warning in WriteMolecule 96: The molecule has no grid. 96: ============================== 96: *** Open Babel Warning in WriteMolecule 96: The molecule has no grid. 96: Not a valid output formatNot a valid output format============================== 96: *** Open Babel Warning in InChI code 96: #1 :Unknown element(s): 96: ============================== 96: *** Open Babel Error in InChI code 96: InChI generation failed 96: ============================== 96: *** Open Babel Warning in InChI code 96: #1 :Unknown element(s): 96: ============================== 96: *** Open Babel Error in InChI code 96: InChI generation failed 96: ============================== 96: *** Open Babel Warning in InChI code 96: #1 :Unknown element(s): 96: ============================== 96: *** Open Babel Error in InChI code 96: InChI generation failed 96: ============================== 96: *** Open Babel Error in WriteMolecule 96: 96: ******************************************************************* 96: Molecule -> 1 : 96: The original file doesn't have the information about the unitcell 96: ******************************************************************* 96: 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 129 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 250 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 200 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 129 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 250 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 200 96: ============================== 96: *** Open Babel Warning in WriteMolecule 96: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 129 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 250 96: ============================== 96: *** Open Babel Warning in GetSpacedFormula 96: Skipping unknown element with atomic number 200 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Error in PubChemJSONFormat 96: No 2D or 3D coordinates exist. To generate 2D or 3D coordinates use --gen2D or --gen3D. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Error in PNG Format 96: No input format set; use -xO to specify which format to embed in the PNG tEXt chunk. 96: ============================== 96: *** Open Babel Warning in WriteMolecule 96: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 91/333 Test #95: test_fuzzregress_26 ................................................................................. Passed 0.24 sec test 97 Start 97: test_fuzzregress_28 97: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "fuzzregresstest" "28" 97: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 97: Environment variables: 97: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 97: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 97: Test timeout computed to be: 1500 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in WriteMolecule 96: No thermo data in 96: Not a valid output format============================== 96: *** Open Babel Warning in WriteMolecule 96: No thermo data in 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 96: ============================== 96: *** Open Babel Warning in Translate 96: Cannot perform atom type translation: table cannot find requested types. 92/333 Test #96: test_fuzzregress_27 ................................................................................. Passed 0.36 sec test 98 Start 98: test_graphsym_1 98: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "graphsymtest" "1" 98: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 98: Environment variables: 98: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 98: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 98: Test timeout computed to be: 1500 98: Testing generic smiles <-> canonical smiles 93/333 Test #97: test_fuzzregress_28 ................................................................................. Passed 0.18 sec test 99 Start 99: test_graphsym_2 99: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "graphsymtest" "2" 99: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 99: Environment variables: 99: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 99: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 99: Test timeout computed to be: 1500 99: Testing generic smiles <-> canonical smiles 98: smiles: C[C@H](O)N 98: mol1.NumAtoms = 4 98: canSmiles: C[C@H](O)N 98: mol2.NumAtoms = 4 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: Cl[C@@](CCl)(I)Br 98: mol1.NumAtoms = 6 98: canSmiles: ClC[C@](I)(Br)Cl 98: mol2.NumAtoms = 6 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: Cl/C=C/F 98: mol1.NumAtoms = 4 98: canSmiles: F/C=C/Cl 98: mol2.NumAtoms = 4 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO 98: mol1.NumAtoms = 19 98: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O 98: mol2.NumAtoms = 19 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5 98: mol1.NumAtoms = 23 98: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3 98: mol2.NumAtoms = 23 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 98: mol1.NumAtoms = 12 98: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O 98: mol2.NumAtoms = 12 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2 98: mol1.NumAtoms = 23 98: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC 98: mol2.NumAtoms = 23 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C 98: mol1.NumAtoms = 18 98: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C 98: mol2.NumAtoms = 18 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CC[C@H](O1)CC[C@@]12CCCO2 98: mol1.NumAtoms = 11 98: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2 98: mol2.NumAtoms = 11 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CN1CCC[C@H]1c2cccnc2 98: mol1.NumAtoms = 12 98: canSmiles: CN1CCC[C@H]1c1cccnc1 98: mol2.NumAtoms = 12 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N 98: mol1.NumAtoms = 17 98: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O 98: mol2.NumAtoms = 17 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl 98: mol1.NumAtoms = 31 98: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C 98: mol2.NumAtoms = 31 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O 98: mol1.NumAtoms = 21 98: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C 98: mol2.NumAtoms = 21 98: . 98: 98: Testing generic smiles <-> canonical smiles 98: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2 98: mol1.NumAtoms = 11 98: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C 98: mol2.NumAtoms = 11 98: . 98: 99: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O 94/333 Test #98: test_graphsym_1 ..................................................................................... Passed 0.16 sec test 100 Start 100: test_graphsym_3 100: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "graphsymtest" "3" 100: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 100: Environment variables: 100: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 100: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 100: Test timeout computed to be: 1500 99: mol1.NumAtoms = 24 99: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O 99: mol2.NumAtoms = 24 99: . 99: 95/333 Test #99: test_graphsym_2 ..................................................................................... Passed 0.14 sec test 101 Start 101: test_graphsym_4 101: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "graphsymtest" "4" 101: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 101: Environment variables: 101: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 101: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 101: Test timeout computed to be: 1500 100: stereo/razinger_fig3.mol 101: stereo/razinger_fig7_20.mol 101: 1: 3 101: 2: 3 101: 3: 4 101: 4: 5 101: 5: 5 101: 6: 4 101: 7: 1 101: 8: 1 101: 9: 2 101: 10: 2 101: stereo/razinger_fig7_21.mol 101: 1: 4 101: 2: 6 101: 3: 5 101: 4: 7 101: 5: 5 101: 6: 6 101: 7: 2 101: 8: 3 101: 9: 3 101: 10: 1 101: 11: 1 101: stereo/razinger_fig7_22.mol 101: 1: 2 101: 2: 2 101: 3: 2 101: 4: 2 101: 5: 1 101: 6: 1 101: 7: 1 101: 8: 1 101: stereo/razinger_fig7_23.mol 101: 1: 4 101: 2: 3 101: 3: 4 101: 4: 3 101: 5: 1 101: 6: 2 101: 7: 1 101: 8: 2 101: stereo/razinger_fig7_24.mol 101: 1: 4 101: 2: 3 101: 3: 3 101: 4: 4 101: 5: 2 101: 6: 2 101: 7: 1 101: 8: 1 101: stereo/razinger_fig7_25.mol 101: 1: 2 101: 2: 3 101: 3: 4 101: 4: 2 101: 5: 3 101: 6: 3 101: 7: 4 101: 8: 4 101: 9: 1 101: 10: 4 101: 11: 1 101: 12: 1 101: 13: 2 101: 14: 3 101: 15: 2 101: 16: 1 101: stereo/razinger_fig7_26.mol 101: 1: 4 101: 2: 3 101: 3: 3 101: 4: 4 101: 5: 3 101: 6: 3 101: 7: 1 101: 8: 1 101: 9: 2 101: 10: 2 101: 11: 2 101: 12: 2 101: stereo/razinger_fig7_27.mol 101: 1: 6 101: 2: 4 101: 3: 5 101: 4: 8 101: 5: 5 101: 6: 4 101: 7: 7 101: 8: 2 101: 9: 3 101: 10: 1 101: stereo/razinger_fig7_28.mol 101: 1: 2 101: 2: 3 101: 3: 2 101: 4: 3 101: 5: 2 101: 6: 3 101: 7: 1 101: 8: 1 101: 9: 1 101: stereo/razinger_fig7_29.mol 101: 1: 3 101: 2: 5 101: 3: 4 101: 4: 6 101: 5: 4 101: 6: 5 101: 7: 1 101: 8: 1 101: 9: 2 100: 1: 1 100: 2: 1 100: 3: 1 100: 4: 1 100: 5: 2 100: 6: 2 100: 7: 2 100: 8: 2 100: 9: 3 100: 10: 3 100: 11: 3 100: 12: 3 100: 13: 4 100: 14: 4 100: stereo/razinger_fig7_1.mol 100: 1: 1 100: 2: 5 100: 3: 2 100: 4: 4 100: 5: 3 100: stereo/razinger_fig7_2.mol 100: 1: 4 100: 2: 5 100: 3: 7 100: 4: 6 100: 5: 6 100: 6: 7 100: 7: 5 100: 8: 4 100: 9: 3 100: 10: 3 100: 11: 2 100: 12: 2 100: 13: 1 100: 14: 1 100: stereo/razinger_fig7_3.mol 100: 1: 3 100: 2: 5 100: 3: 1 100: 4: 5 100: 5: 6 100: 6: 3 100: 7: 7 100: 8: 7 100: 9: 2 100: 10: 2 100: 11: 4 100: 12: 4 100: stereo/razinger_fig7_4.mol 100: 1: 7 100: 2: 5 100: 3: 6 100: 4: 6 100: 5: 3 100: 6: 4 100: 7: 1 100: 8: 2 100: 9: 4 100: 10: 3 100: stereo/razinger_fig7_5.mol 100: 1: 4 100: 2: 4 100: 3: 4 100: 4: 5 100: 5: 3 100: 6: 3 100: 7: 3 100: 8: 1 100: 9: 2 100: 10: 1 100: 11: 2 100: 12: 2 100: 13: 1 100: stereo/razinger_fig7_6.mol 100: 1: 3 100: 2: 4 100: 3: 3 100: 4: 3 100: 5: 3 100: 6: 1 100: 7: 2 100: 8: 1 100: 9: 2 100: 10: 1 100: 11: 2 100: 12: 1 100: 13: 2 100: stereo/razinger_fig7_7.mol 100: 1: 6 100: 2: 7 100: 3: 5 100: 4: 6 100: 5: 6 100: 6: 1 100: 7: 4 100: 8: 3 100: 9: 2 100: 10: 3 100: 11: 4 100: 12: 3 100: 13: 4 100: stereo/razinger_fig7_8.mol 100: 1: 6 100: 2: 7 100: 3: 5 100: 4: 6 100: 5: 5 100: 6: 1 100: 7: 2 100: 8: 1 100: 9: 2 100: 10: 3 100: 11: 4 100: 12: 3 100: 13: 4 100: stereo/razinger_fig7_9.mol 100: 1: 8 100: 2: 10 100: 3: 9 100: 4: 8 100: 5: 7 100: 6: 5 100: 7: 2 100: 8: 1 100: 9: 6 100: 10: 3 100: 11: 4 100: 12: 3 100: 13: 4 100: stereo/razinger_fig7_10.mol 100: 1: 10 100: 2: 13 100: 3: 11 100: 4: 12 100: 5: 9 100: 6: 5 100: 7: 2 100: 8: 1 100: 9: 6 100: 10: 7 100: 11: 8 100: 12: 3 100: 13: 4 100: stereo/razinger_fig7_11.mol 100: 1: 2 100: 2: 8 100: 3: 1 100: 4: 4 100: 5: 3 100: 6: 4 100: 7: 7 100: 8: 5 100: 9: 5 100: 10: 6 100: 11: 3 100: 12: 7 100: 13: 1 100: 14: 2 100: 15: 6 100: 16: 8 100: 17: 9 100: stereo/razinger_fig7_12.mol 100: 1: 6 100: 2: 16 100: 3: 5 100: 4: 4 100: 5: 7 100: 6: 8 100: 7: 13 100: 8: 11 100: 9: 9 100: 10: 12 100: 11: 3 100: 12: 15 100: 13: 1 100: 14: 2 100: 15: 10 100: 16: 14 100: 17: 17 100: stereo/razinger_fig7_13.mol 100: 1: 4 100: 2: 4 100: 3: 3 100: 4: 2 100: 5: 1 100: 6: 3 100: 7: 1 100: 8: 2 100: 9: 3 100: 10: 2 100: 11: 1 100: 12: 3 100: 13: 2 100: 14: 1 100: stereo/razinger_fig7_14.mol 100: 1: 2 100: 2: 3 100: 3: 4 100: 4: 4 100: 5: 3 100: 6: 1 100: 7: 1 100: stereo/razinger_fig7_15.mol 100: 1: 4 100: 2: 3 100: 3: 5 100: 4: 5 100: 5: 3 100: 6: 2 100: 7: 2 100: 8: 1 100: stereo/razinger_fig7_16.mol 100: 1: 2 100: 2: 3 100: 3: 4 100: 4: 4 100: 5: 3 100: 6: 2 100: 7: 1 100: 8: 1 100: stereo/razinger_fig7_17.mol 100: 1: 3 100: 2: 5 100: 3: 4 100: 4: 5 100: 5: 3 100: 6: 2 100: 7: 1 100: 8: 1 100: stereo/razinger_fig7_18.mol 100: 1: 3 100: 2: 2 100: 3: 2 100: 4: 3 100: 5: 2 100: 6: 2 100: 7: 1 100: 8: 1 100: stereo/razinger_fig7_19.mol 100: 1: 3 100: 2: 4 100: 3: 5 100: 4: 6 100: 5: 5 100: 6: 4 100: 7: 1 100: 8: 2 100: 9: 2 96/333 Test #100: test_graphsym_3 ..................................................................................... Passed 0.17 sec 97/333 Test #101: test_graphsym_4 ..................................................................................... Passed 0.16 sec test 102 Start 102: test_graphsym_5 102: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "graphsymtest" "5" 102: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 102: Environment variables: 102: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 102: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 102: Test timeout computed to be: 1500 test 103 Start 103: test_gzip_1 103: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "gziptest" "1" 103: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 103: Environment variables: 103: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 103: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 103: Test timeout computed to be: 1500 102: stereo/razinger_fig7_48.mol 103: 103: # Testing gzip handling... 102: 1: 2 102: 2: 3 102: 3: 3 102: 4: 2 102: 5: 1 102: 6: 1 102: 7: 2 102: 8: 1 102: 9: 1 102: 10: 2 102: stereo/razinger_fig7_49.mol 102: 1: 5 102: 2: 11 102: 3: 10 102: 4: 7 102: 5: 2 102: 6: 3 102: 7: 6 102: 8: 4 102: 9: 9 102: 10: 8 102: 11: 1 102: stereo/razinger_fig7_50.mol 102: 1: 3 102: 2: 5 102: 3: 5 102: 4: 3 102: 5: 1 102: 6: 1 102: 7: 4 102: 8: 2 102: 9: 4 102: stereo/razinger_fig7_51.mol 102: 1: 3 102: 2: 6 102: 3: 7 102: 4: 5 102: 5: 1 102: 6: 2 102: 7: 4 102: 8: 4 102: 9: 6 102: 10: 7 102: 11: 3 102: 12: 2 102: 13: 1 102: 14: 5 102: stereo/razinger_fig7_52.mol 102: 1: 2 102: 2: 4 102: 3: 4 102: 4: 2 102: 5: 1 102: 6: 1 102: 7: 3 102: 8: 4 102: 9: 4 102: 10: 3 102: 11: 2 102: 12: 1 102: 13: 1 102: 14: 2 102: stereo/razinger_fig7_58.mol 102: 1: 3 102: 2: 2 102: 3: 4 102: 4: 4 102: 5: 5 102: 6: 2 102: 7: 3 102: 8: 3 102: 9: 3 102: 10: 1 102: 11: 1 102: stereo/razinger_fig7_59.mol 102: 1: 2 102: 2: 4 102: 3: 2 102: 4: 3 102: 5: 3 102: 6: 2 102: 7: 3 102: 8: 3 102: 9: 2 102: 10: 1 102: 11: 1 102: 12: 1 102: 13: 1 102: stereo/razinger_fig7_60.mol 102: 1: 3 102: 2: 7 102: 3: 4 102: 4: 5 102: 5: 6 102: 6: 4 102: 7: 5 102: 8: 6 102: 9: 3 102: 10: 2 102: 11: 1 102: 12: 2 102: 13: 1 102: stereo/razinger_fig7_64.mol 102: 1: 4 102: 2: 7 102: 3: 6 102: 4: 8 102: 5: 3 102: 6: 2 102: 7: 4 102: 8: 2 102: 9: 3 102: 10: 8 102: 11: 5 102: 12: 5 102: 13: 1 102: 14: 1 102: stereo/razinger_fig7_69.mol 102: 1: 2 102: 2: 2 102: 3: 2 102: 4: 2 102: 5: 2 102: 6: 2 102: 7: 1 102: 8: 1 102: 9: 1 102: 10: 1 102: 11: 1 102: 12: 1 98/333 Test #102: test_graphsym_5 ..................................................................................... Passed 0.20 sec test 104 Start 104: test_addh_1 104: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "addhtest" "1" 104: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 104: Environment variables: 104: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 104: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 104: Test timeout computed to be: 1500 104: 104: # Testing addh handling... 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/3o8g_uff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/10gs_vww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/12gs_0hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/13gs_sas.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/19gs_bsp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a2n_tet.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a42_bzu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a4l_dcf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a4m_prh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a4q_dpc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a4r_gnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a5h_bba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a5v_y3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a6v_npc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a6w_nip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a72_pad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a7a_adc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a7x_fka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a82_dnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a85_0dy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a86_0zb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a8t_061.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a96_xan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1a97_5gp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aax_bpm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ab8_fok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ac4_tmt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ac8_tmz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aco_tra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ad4_hh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1adb_cnd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1add_1da.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1adg_sad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ady_ham.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aeb_3mt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aed_dti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aef_3ap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aeg_4ap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aeh_24t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aej_nvi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aek_idm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aem_mpi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aen_25t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aeo_2ap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aeq_2ez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aer_tia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aeu_2mz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aev_amt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1afc_scr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1afl_atr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1afq_0fg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1agw_su2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ah0_sbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ai3_ndo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ai4_dhy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ai5_mnp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aj2_2ph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ajn_aan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ajp_omd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ajq_spa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ajv_nmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ajx_ah1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1akc_ppe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1al7_hst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1al8_dhp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aln_ctd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1alw_isa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ami_mic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1amr_mae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1an9_be2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aob_ddu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aod_ins.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aoe_gw3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1aqx_gtd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1arh_ppd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1asc_npl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1asl_pla.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1at1_pct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1atl_0qi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ax9_edr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ayp_inb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1az1_alr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1az8_in4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1azm_azm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b3d_s27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b42_m1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b48_hag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b57_pgh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b5q_md2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b7y_fya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b8n_img.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b8o_imh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b8y_in7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b99_fup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b9i_pxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b9s_fdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b9t_rai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1b9v_ra2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bb6_umg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bb7_gum.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bg9_af1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bgg_gco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bil_0iu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bim_0qb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1biw_s80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bju_gp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bjv_gp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bk0_acv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bkc_inn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bke_b3i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bkm_1c5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bky_1mc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bl4_ap1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bma_0qh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bn3_al6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bnm_al8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bnn_al1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bnt_al2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1boz_prd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bq4_bhc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bqi_sba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bqm_hby.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bqo_n25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1br5_neo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1br6_pt1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bs1_daa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bs4_2pe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bsj_mln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bso_brc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bug_urs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bv7_xv6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bvr_tht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bwf_atf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bx4_adn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bx6_ba1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bxm_erg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bxo_pp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bxq_pp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bye_ata.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bzc_tpi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bzj_pic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bzl_gcg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bzm_mzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bzs_bsi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1bzy_imu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c0t_bm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c0u_bm5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c1b_gca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c1c_612.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c1h_mmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c1x_hfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c22_mf3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c23_mph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c24_mpj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c29_he1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c2t_nhs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c3e_nhr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c3q_tze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c50_chi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c5y_esp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c5z_bam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c72_epy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c81_fdq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c83_oai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c84_761.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c85_oba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c86_opa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c88_ota.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c8l_bin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c8t_tr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c97_ict.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c9d_hf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c9e_mp1.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 32 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1c9y_nva.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ca7_eno.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1caq_dps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cbq_re9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cci_dmi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ceb_amh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cel_ibz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cet_clq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cg4_imo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cgk_nar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cgl_0ed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ch8_gpx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1chw_hxc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cj1_c78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cjb_irp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cjf_hom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cjk_tat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cjp_mug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ck6_sha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cml_mlc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cnw_eg1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cny_eg3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1com_pre.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cp4_bnz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cp6_bub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cps_cpm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cq1_pqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cq6_py4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cq7_py5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cq8_py6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cqp_803.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cr6_cpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cs4_101.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ctt_dhz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ctu_zeb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cul_103.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cul_3po.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cw2_hsp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cwu_tdb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cx2_s58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cx9_nhp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1cxv_cbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1czm_aas.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d0m_blg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d0x_mnq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d0y_onp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d0z_pnq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1a_dae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1b_daq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1c_nmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1v_ptu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1w_atq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1x_4bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d1y_3bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d3g_bre.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d3h_a26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d4h_beh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d5j_mm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d6n_ppo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d6w_00r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d7i_dss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d7j_buq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d7v_nma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d7x_spc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d8f_spi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d8m_bbh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1d9i_00p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dae_ikt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dag_dsd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dak_dpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dao_fab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1db4_8in.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1db5_6in.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dcy_i3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dd6_mci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dd7_1pm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ddo_itr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ddx_pgx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1de5_rnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1de6_rns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ded_qps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dfi_nad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dg7_wrb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dgp_foh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dia_l24.sdf 99/333 Test #103: test_gzip_1 ......................................................................................... Passed 0.65 sec test 105 Start 105: test_implicitH_1 105: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "implicitHtest" "1" 105: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 105: Environment variables: 105: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 105: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 105: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dib_l34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1did_dig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dig_l37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dil_eqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dj9_kam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1djw_cip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1djy_i2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1djz_ip2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dkf_bms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dl7_nch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dm6_ph3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dmb_bcd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dmj_ap4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dmj_itu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dmk_ap6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dmp_dmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dod_dob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1doh_nid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dp2_lpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dpf_gdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dpm_ebp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dqa_mah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dqo_asg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1drt_pcv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dtl_bep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dtq_fpt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dtt_ftc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1duv_psq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dvj_up6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dvu_dbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dvy_bpd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dvz_ofl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dwv_4ab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dww_h2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dwx_har.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dx4_760.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dxo_dqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dy3_87y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dy4_snp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dyh_dzf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dzj_ses.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dzk_prz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dzm_bzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1dzp_bzq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e00_dhm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e02_una.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e06_ipb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e1f_psg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e26_gpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e2i_aps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e2i_arp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e2k_tmc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e2m_hpt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e2n_rca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e2p_ccv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e3q_ebw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e56_hbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e66_hux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e6x_lgc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e6z_ngo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e70_g2f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e7a_pfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e7b_hlt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e8g_fcr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e8m_p0h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e8v_dan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e90_myc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e92_hbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e98_atm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1e9a_z5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eb2_bpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ebm_8og.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ebu_hse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ebu_nda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ebv_scl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ec8_glr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ec9_xyh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ecc_pcp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ecq_dxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ecv_878.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ed6_ilo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eei_gaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eet_bfu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ef3_fid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1efi_gat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1efy_bzc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1egy_9ap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eh4_ic1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ejn_agb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ek1_ciu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ek2_cdu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ek8_dem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eko_i84.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1el4_ctz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ela_0z1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1elb_0z4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1elc_0z3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eld_0z0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ele_0qn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1els_pah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1enu_apz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eoc_4nc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eos_u2g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ep4_s11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ep9_cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eqc_cts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1equ_eqi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1erb_etr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1est_tsu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1etr_mit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ets_mid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ev9_gts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eve_e20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1evi_2pc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ew8_pae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ew9_mmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ex8_a4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1exa_394.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1exi_118.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1exx_961.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1eyw_ten.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ez2_dii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ezf_in0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f06_2np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f0r_815.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f0s_pr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f0t_pr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f0u_rpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f3b_gbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f3e_dpz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f3f_d4t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f4e_tpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f4f_tp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f4g_tp4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f57_dcy.sdf 105: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10 105: 105: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16 105: 105: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2 105: 105: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54 105: 105: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37 105: 105: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38 105: 105: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32 105: 105: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36 105: 105: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5 105: 105: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2 105: 105: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6 105: 105: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18 105: 105: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19 105: 105: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15 105: 105: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19 105: 105: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12 105: 105: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20 105: 105: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19 105: 105: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13 105: 105: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17 105: 105: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15 105: 105: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22 105: 105: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22 105: 105: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3 105: 105: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4 105: 105: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10 105: 100/333 Test #105: test_implicitH_1 .................................................................................... Passed 0.16 sec test 106 Start 106: test_ketformat_1 106: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "1" 106: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 106: Environment variables: 106: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 106: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 106: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f6t_tbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f73_hmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f74_nay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f8d_9am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f8e_49a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f92_ukp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1f9o_pih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fax_dx9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fb7_roc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fbg_ahm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fbh_afp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fbz_cc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fcx_184.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fcy_564.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fcz_156.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fd0_254.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fd7_ai1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fdk_gle.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fe2_lax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fel_fen.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fen_aze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fgh_ath.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fgi_su1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fhv_osb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fhw_i5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fi1_rif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fkd_818.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fkg_sb3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fkh_sbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fki_sb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fm6_9cr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fm8_ddc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fmb_hyb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fmc_cho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fo3_kif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1foj_7i2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1foj_7ni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fp2_hmo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fpb_fdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fpi_ahg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fpu_prc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1frb_zst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fsg_9dg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fsg_prp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ft4_703.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ft7_plu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ftl_dnq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ftx_epc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fup_pma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fuy_fip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fv9_172.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fvv_107.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1fxu_gu7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g0n_phh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g0o_pyq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g27_bb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g2k_nm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g36_r11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g3m_pcq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g49_111.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g4j_ffb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g4k_hqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g4p_fqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g4t_ftp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g5s_i17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g67_icp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g67_tzp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g7f_inz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g7g_inx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g85_3ol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g9a_bab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1g9s_imp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gag_112.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gai_gac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gar_u89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gcz_yz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gfy_col.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gg5_e09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ggd_faf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gi5_123.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gi6_124.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gi7_120.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gi8_bmz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gij_2pu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gil_gsp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1giu_ade.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gj9_134.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gjc_130.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gka_axt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gkl_fer.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1glj_ats.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gm8_sox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gnp_agn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gnq_cag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gpk_hup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gpn_hub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gpu_thd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gqg_dcd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gqh_koj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gqs_saf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1grq_clk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1grr_clc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gs4_zk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gs5_nlg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gss_lee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gsz_r71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gt1_3om.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gt1_anc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gt8_uaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gtb_pzq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1guh_gsb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gvc_nta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gw1_nin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gw9_lxc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gwx_433.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gx2_bho.sdf 101/333 Test #106: test_ketformat_1 .................................................................................... Passed 0.15 sec test 107 Start 107: test_ketformat_2 107: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "2" 107: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 107: Environment variables: 107: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 107: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 107: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gxz_brt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gyk_cdg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gym_myg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gyq_nbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gzf_nir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gzm_lda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gzp_gm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gzq_pii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gzq_twt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1gzr_c15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h0s_fa6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h1d_bia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h1m_kmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h22_e10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h23_e12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h2j_dcb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h35_r01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h36_r88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h37_r02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h39_r03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h3a_r04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h3b_r46.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h3c_r79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h4q_pri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h66_rh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h69_arh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h7x_urf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h82_gzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h8d_phw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h8l_gem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h9u_lg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1h9z_rwf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hak_k21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hb1_ocv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hb2_scv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hbv_gan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hdq_inf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1he3_mbv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hee_lhy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hf6_ctr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hfc_plh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hfp_mot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hfs_l04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hg4_lpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hge_mna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hgi_ana.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hgj_amn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hii_c20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hiy_3an.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hj1_aoe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hkd_gyp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hkn_n2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hld_brb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hlk_113.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hmr_ela.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hna_gdn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hni_aaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hnn_skf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hnv_tbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ho4_pxp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hpo_uni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hpv_478.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hpz_aap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hqg_orn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hrn_03d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ht5_fl2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ht8_34c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hte_g23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1htf_g26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hti_pga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hu0_oxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hu9_4hm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hug_auc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1huo_tte.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hvh_q82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hvr_xk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hw8_114.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hwi_115.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hwj_116.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hwk_117.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hwl_fbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hwr_216.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hx9_fhp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hxk_dmj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hy7_mbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1hyo_hbu.sdf 102/333 Test #107: test_ketformat_2 .................................................................................... Passed 0.13 sec test 108 Start 108: test_ketformat_3 108: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "3" 108: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 108: Environment variables: 108: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 108: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 108: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i2z_654.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i30_826.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i32_nmd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i33_tnd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i5r_hyc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i6k_tym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i7c_mgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i7e_ibs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i7g_az2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i7m_cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i80_9hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i80_imr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i83_ntu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i8z_inl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i91_inq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i9o_ioc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i9p_ioe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i9q_iof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1i9z_2ip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ia1_tq3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ia2_tq4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iay_avg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ida_0po.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1idb_0do.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ie8_kh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iei_zes.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1if2_129.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1if7_sbr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1if9_sbb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1igb_ipo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ijr_cc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ik3_13s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ikg_rex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iki_dal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iki_rey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ikv_efz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ikx_pnu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iky_msd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1il5_ddp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1il9_mog.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1imb_lip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1inf_st4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ing_st5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1inh_st6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1inw_axp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iop_he6.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 2 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 4 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iov_pob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iqh_xmf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iqi_xmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iqk_xmi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iql_xmj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iqm_xmk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ish_enp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1isi_enq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ism_nca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iss_mcg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1it6_cyu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1itu_cil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iut_pab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ivc_st2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ivd_st1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ive_st3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ivp_1zk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ivq_0px.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ivr_cba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iwh_pem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ix1_bb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ixn_dxp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iy7_cxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1iyl_r64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j01_xil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j07_dcu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j0n_ceg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j14_ben.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j17_zen.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j1a_bhp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j20_as1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j2y_dqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j3i_wra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j4h_sub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j4i_tst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j4r_001.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j51_tcz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j6z_rho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j78_vdy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j7e_jy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1j91_tbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jao_0d3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jaq_01s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jbw_acq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jbw_tmf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jcm_137.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jcq_739.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jcs_fii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jct_gkr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jcx_pai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jdj_cfp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jdt_mta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jdz_fmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1je1_gmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jep_dfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jf2_czh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jg0_ddt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jgt_cma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jh1_jst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jha_aam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jhm_5mb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jho_rmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jhp_5ob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jhq_pmo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jhr_p2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jhu_pcr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jii_383.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jij_629.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jik_545.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jil_485.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jin_ktn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jiz_cgs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jj9_bbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jjb_pe7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jjc_fa5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jje_bys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jjt_bds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jk7_oka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jki_dg6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jkx_138.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jld_0pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jlg_uc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jlq_sbn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jn2_sfp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jn4_139.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jnq_egt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jp3_egc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jqd_hsm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jqe_qun.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jqy_a32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jr0_a24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jr4_cl4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jsz_ndm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jut_lyd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jv4_tzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jvi_rhc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jvu_c2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jvz_cen.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jwt_bli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jx1_dfv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jx6_ai2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1jzs_mrc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k0u_dea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k0y_cno.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k1i_fd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k1j_fd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k1l_fd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k1m_fd4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k1o_ign.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k1p_mel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k2o_rfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k3t_brz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k3u_iad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k4g_aiq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k4h_apq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k5s_gro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k70_hpy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k74_544.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k7e_iag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k7f_iav.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k90_3at.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k9s_fm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1k9s_fm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kak_fnp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kav_fep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kbo_340.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kbq_936.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kc7_ppr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kdk_dht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ke6_ls2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ke7_ls3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ke8_ls4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kek_htl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kgj_fl8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kgt_pml.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1khf_pep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ki3_pe2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ki4_btd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ki6_ahu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ki7_id2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ki8_bvd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kkf_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kkq_471.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1klk_pmd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1klm_spp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kmh_ttx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kmn_hso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kms_lih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kmv_lii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1knu_ypa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kpe_adw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kpg_16a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kph_10a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kq0_med.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kqo_dnd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kqu_br4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kru_ipt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ksn_fxv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ksw_nbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kvl_cls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kvl_thn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kvo_oap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kw1_lg6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kww_mfu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kwx_mfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ky5_ady.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kyn_ktp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kyw_hfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kyx_crm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kyy_ini.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kz8_pfe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1kzn_cbn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l2j_etc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l2s_stc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l3l_lae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4e_rbz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4f_150.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4g_ncn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4h_ind.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4k_34a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4l_xyd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4m_2ac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l4n_2af.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l5k_1rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l5l_7rp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l5m_7ra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l5m_nio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l5o_2mp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l5r_mrd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l6f_pp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l6g_pdd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l8g_dbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1l9w_dhs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lbt_t80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lbx_ipd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lc8_33p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lca_ump.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lcb_tmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lcw_shm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ld7_u66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ld8_u49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ldc_fmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lde_fpi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ldo_snr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ldy_cxf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lee_r36.sdf 103/333 Test #108: test_ketformat_3 .................................................................................... Passed 0.15 sec 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lel_bh7.sdf test 109 Start 109: test_ketformat_4 109: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "4" 109: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 109: Environment variables: 109: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 109: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 109: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lev_cli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lf2_r37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lf3_eh5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lgt_bp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lhn_aon.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lhw_esm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1li4_noc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lij_rpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ljr_gsh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ljt_hdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lk7_der.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lkd_bp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lod_mur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lol_xmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lpk_cbb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lpp_hds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lpz_cmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lqd_cmi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lr8_ihs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lt8_cbh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lv0_ger.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lvk_mnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lvu_9pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lw2_u05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lwv_ang.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lww_brg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lwx_azd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lx6_zam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1lxc_aym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ly3_cog.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ly4_coq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m0n_hcp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m0o_mpm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m0p_elp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m13_hyf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m1o_caa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m2p_hna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m2q_mnx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m2r_mny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m48_frg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m49_cmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m51_tsx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m52_p17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m5b_bn1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m5c_brh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m5e_am1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m66_bcp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m67_boa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m6w_12h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m78_clz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m79_mq1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m7a_mqu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m7q_dqo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m7y_ppg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m8d_clw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m8i_5ni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m9b_ibg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1m9t_ine.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1map_ket.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1maq_pgu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mau_ltn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mbb_eeb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mbx_ybt.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mbz_iot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mc1_pcx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1md2_233.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mdl_smn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mdr_apg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1me6_ivs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1me7_rvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1men_gar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mes_dmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mfp_idn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mg0_dfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mk5_btn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mkv_gel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mlz_tza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mmb_bat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mmp_rss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mmq_rrs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mmr_srs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mn7_abt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mn9_rtp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mo9_kpc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mog_rbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mos_agp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mq5_xlc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mq6_xld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mqd_shi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mqg_iwd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mqh_bwd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mqj_hwd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mrk_fmc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mrs_5hu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mts_bx3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mv9_hxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mvn_pco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mvt_dtm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mx5_htq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mxc_abp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mzc_bne.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mzn_bm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1mzs_669.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n0t_at1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n0u_so1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n1e_nde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n1h_ch1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n1m_a3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n20_3ag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n22_7a8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n23_2bn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n24_bp2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n2b_apc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n2i_paj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n2j_paf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n2v_bdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n38_u3h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n46_pfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n4g_pyz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n4p_grg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n4q_mgm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n5j_tyd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n5m_gmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n5r_prm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n5x_tei.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n69_peh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n6b_dmz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n7i_ly1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n7j_idi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n95_fth.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n9a_fti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1n9a_hfp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nax_ih5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nb6_utp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nbe_mlt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nc1_mth.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nco_chr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ncr_w11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nd5_2bf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nde_mon.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ndv_fr0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ndw_fr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ndy_fr3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ndz_fr5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nfq_aoi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nfu_rrp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nfw_rrr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nfx_rdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nfy_rtr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nh3_car.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nht_hda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nht_pgs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nhu_153.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nhv_154.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nhx_ftb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ni1_2c5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nis_ntc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nj5_p5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nje_dcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nl4_ftl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nl9_989.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nm6_l86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nmk_sfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nmq_160.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nms_161.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nmu_mtt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nmx_fdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nmz_nym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nn3_2dt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nnk_ce2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1no6_794.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1now_ifg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1npv_l27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nq7_arl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nqa_g3h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nqv_lmz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nqw_5yl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nqx_rlp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nrl_srl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nsg_rad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nt1_t76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nup_nmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nuq_nxx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nvs_ucm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nwg_bgn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nwl_964.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nx8_n7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nxy_sm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nym_cxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nyx_drf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1nz7_901.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o07_mxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o08_g16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o0o_a2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o1s_1nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o1t_2nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2h_cr3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2j_656.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2l_762.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2o_950.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2p_972.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2q_991.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2t_783.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2u_847.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o2z_312.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o30_693.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o35_802.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o36_607.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o37_653.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o39_780.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o3e_696.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o3h_907.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o3j_334.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o3l_678.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o3m_785.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o3p_655.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o42_843.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o44_852.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o46_903.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o47_822.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o48_853.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o49_493.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4b_876.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4f_790.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4g_i59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4h_772.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4j_is2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4o_hps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4p_791.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4q_256.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o4r_787.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o5b_esi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o5c_cr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o5e_132.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o5m_336.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o5r_fr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o6f_sin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o6h_w37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o6i_0hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o6k_mn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o6q_r17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o6r_r19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o79_r23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o7a_gdl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o7g_npy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o7p_ndh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o86_lpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o9u_adz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1o9v_sng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oad_mqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oar_azn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oax_anq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oay_fur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ob2_kir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ocb_flg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1od7_suw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1od9_bnd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oda_bdu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1odc_a8b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1odm_asv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1odn_apv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1odw_0e8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oec_aa2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1of1_sct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1og1_tad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1og5_swf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ogu_st8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ohk_cop.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ohp_esr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ohs_5sd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oik_c26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oim_noj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oir_hdy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oit_hdt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oiu_n76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oiy_n41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oiz_trt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ojr_2ha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1okc_cxt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1okz_ucn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1olm_vtq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1olx_tdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1om1_iqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1onq_slf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ony_588.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1onz_968.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oo6_sn2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oon_bel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1opb_ret.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1opm_iyg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ork_atc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1os0_0pq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1os5_nh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1osh_fex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1osv_chc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ot3_thm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ot7_iu5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oty_6mp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ou6_168.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oum_tal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ouy_094.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ov6_dbm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ove_358.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ovg_mdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1owd_497.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1owi_426.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1owj_155.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1owk_303.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oxl_ida.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oxr_ain.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oyf_mhn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oyo_3id.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1oz0_ms1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ozg_he3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p0e_prf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p0i_bua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p1r_nmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p44_geq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p4f_drg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p4r_354.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p57_cr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p5z_ar3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p6l_dp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p6m_dp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p6n_dp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p7c_t5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1p8d_co1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pa9_csn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pax_dhq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pck_pez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pcw_h4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pd9_co4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pge_isf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pgn_nbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ph0_418.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pha_pfz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1phe_piy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1phf_pim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1phg_myt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1phw_n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pk9_2fa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pkf_epd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pl0_bw2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pl2_aby.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pl6_572.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pl9_fpe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pmn_984.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pmu_9hp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1poj_ae1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ppk_ivv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ppl_1z7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ppm_0p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pq3_s2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pq6_965.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pq9_44b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pq9_bns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pqc_444.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pr6_xya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pro_a88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ps6_4tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ptr_prb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pub_3ph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pvf_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pvn_mzp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pvs_7hp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pw1_hel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pw6_frb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pw7_rab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pwh_plv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pwl_bfi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pwp_nsc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pwu_gm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1py2_frh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1py5_py1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pye_pm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pyn_941.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pzi_1dm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pzj_15b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pzj_j15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pzk_j12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pzo_cbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1pzp_fta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q0r_akt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q0z_aka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q11_tye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q1m_234.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q20_plo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q22_and.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q2q_wy2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q36_skp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q3w_atu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q4g_bfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q4l_679.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q4w_dqu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q54_bhi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q5d_epb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q5h_dud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q5k_tmu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q65_bhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q66_kmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6j_335.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6k_tco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6m_p27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6n_p90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6p_213.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6q_lxp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6r_lx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q6s_214.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q7a_opb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q7g_nho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q91_dpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q92_drm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1q9d_oi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qax_hmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qb1_974.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qb6_623.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qb9_806.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qbn_688.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qbo_711.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qbt_146.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qbu_846.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qca_fua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qcf_pp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qco_aae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qcw_fns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qf0_ti2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qf2_ti3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qf4_rpd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qf5_rpl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qgl_ejt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qh5_gbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qhc_pua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qhi_bpg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qin_gip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qip_gnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qiq_acc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qiz_rco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qje_ip1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qjf_acs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qjq_pfc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qju_w01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qjx_w02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qjy_w03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qkc_alb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qkm_gen.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qkn_ral.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qll_tda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qmq_lrb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qon_i40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qpb_pym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qpf_858.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qpl_587.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qs4_100.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qss_dg3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qtq_qsi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qv6_24b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qvn_fri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qvu_prl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qw4_3ar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qw5_14w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qw8_kho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qw9_khp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qx1_fmf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qxk_429.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qxl_fr8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qxs_s70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qxw_m1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qxy_m2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qxz_m3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qy2_ipz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qy4_6pg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qy8_rdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qye_cdy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qz5_kab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qz6_jas.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qzr_cdx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1qzy_tde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r0e_dfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r1h_bir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r1i_ti1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r1j_oir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r1k_p1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r1o_sdc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r20_hwg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r31_mev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r33_lka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r34_lks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r35_i58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r3j_dga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r3v_1cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r3y_cp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r4l_xx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r58_ao5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r5g_ao1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r5h_ao2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r5k_gw5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r6g_442.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r6n_434.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r78_fmd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r81_ud2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1r8e_p4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ra0_fpy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rbo_cap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rbq_keu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rbz_kt5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rc1_kt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rcj_ma4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rco_xdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rcv_bv1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rd4_l08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rd9_bv2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rdp_bv3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rdt_570.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rdt_l79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1re8_bd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rej_b1l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rek_b8l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rev_tb9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rf2_bv4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rf4_spq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rf9_dbr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rfn_pbz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rg1_ots.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rgb_eld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rhj_pzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rhm_na4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rhq_0zz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rjk_vdz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rkg_vd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rkh_vd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rm0_d6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rne_c60.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ro9_8br.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ros_deo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rpg_cpa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rpw_did.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rqd_gc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rr8_ttc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rr8_ttg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rry_204.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rs2_209.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rs4_45p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rs8_dp2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rs9_d7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rsd_psb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rsi_977.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rt1_mkc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rt2_tnk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rt5_uc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rt6_uc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rt7_uc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rti_hef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rv1_imz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rw8_580.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rwq_5ap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rxo_rub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ry0_pg2.sdf 104/333 Test #109: test_ketformat_4 .................................................................................... Passed 0.23 sec 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ry8_rut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1rzy_5as.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s0m_bap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s0z_eb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s13_2fh.sdf test 110 Start 110: test_ketformat_5 110: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "5" 110: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 110: Environment variables: 110: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 110: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 110: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s14_nov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s17_gnr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s19_mc9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s1j_iqz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s1s_wac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s22_ula.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s2c_flf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s38_maq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s39_aqo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s3v_tqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s3w_tqt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s5z_son.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s64_778.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s6h_4bz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s6p_iet.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s6q_tpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s83_4ha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s8c_bla.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9d_afb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9e_adb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9f_ddy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9g_abz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9i_5ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9j_bbm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1s9p_des.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sa5_bmv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sc7_m38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sc8_2in.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1scq_cnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sd3_sym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ses_ahx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1seu_sa3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sff_ik2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1siv_psi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sj0_e4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1skj_ur2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1skx_rfp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sl3_170.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1so3_tx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1soo_h5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sp4_ep2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sqa_ui1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sqo_ui2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sqt_ui3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sre_hab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1srf_mtb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1srg_mhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sri_dmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1srj_nab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sto_omp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1suq_185.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sv5_65b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sv9_dif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sve_i01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1svg_i04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1svh_i08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sxg_171.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1syh_cpw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1sze_173.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1szm_bi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1szo_cax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t1r_imb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t1s_cbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t24_oxq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t25_gag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t26_gbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t32_ohh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t41_id5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t4e_diz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t4p_2bh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t4r_ahi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t4t_dir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t5f_dhh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t5p_1fh.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 3 N 105/333 Test #110: test_ketformat_5 .................................................................................... Passed 0.05 sec test 111 Start 111: test_ketformat_6 111: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "6" 111: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 111: Environment variables: 111: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 111: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 111: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t64_tsn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t7k_bh0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t8i_ehd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t93_flv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t9b_1cs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t9c_1sm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1t9w_nfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ta2_176.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ta6_177.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tcw_im1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tdg_tbe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tez_hdf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tfj_dka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tfz_869.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tg5_645.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tgv_5ud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tgy_r1p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tha_t33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1thc_fl9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1thl_0db.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1thz_326.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tip_f6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tjj_lpe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tjj_pfs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tjp_hpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tka_n3t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tkb_n1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tkc_m6t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tkd_d3t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tkt_h12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tkx_gwb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tkz_h16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tl1_h18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tl3_h20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tl8_ai3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tlc_dgp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tlc_f89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tmn_0zn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1to9_hmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tou_b1v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tow_crz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tqs_sso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tqt_ssd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tqu_gha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tqv_sse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tqw_blt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tsl_a15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tsm_mr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tv6_cp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tve_178.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tvo_frz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tvv_cb3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tw3_ert.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1twn_ver.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 3 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1txi_tx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1tzc_pa5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u0h_onm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u0y_pa7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u19_htg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u1d_181.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u1e_182.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u1f_183.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u1g_bbb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u1x_hha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u21_p2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u30_gox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u30_lag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u33_lm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u3q_272.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u3r_338.sdf 106/333 Test #111: test_ketformat_6 .................................................................................... Passed 0.06 sec test 112 Start 112: test_ketformat_7 112: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "7" 112: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 112: Environment variables: 112: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 112: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 112: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u3s_797.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u3t_ccb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u3w_fxy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u4g_hpi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u4m_h3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u4o_ndd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u5c_bik.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u65_cp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u68_npr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u6q_745.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u6s_dcc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u71_mxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u88_gty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u9e_397.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u9o_cns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1u9q_186.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ubw_gpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1udu_cia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ueh_oxn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ueh_unl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uf5_cdt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uf8_ing.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uh0_mgc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uhe_nsn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uhh_czp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uhj_czb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uhk_czn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uhl_mei.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uip_pur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uk0_frm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uk1_frq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uki_537.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1umc_4mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1umg_2fp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uml_fr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ump_sqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1unb_pn1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ung_alh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1unh_ixm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uob_pnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uom_pti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uou_cmu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1upj_u01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uqs_gmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1urw_i1p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1usn_in9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ut6_a8n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1utt_cp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1utz_pf3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uu7_bi2.sdf 107/333 Test #112: test_ketformat_7 .................................................................................... Passed 0.05 sec 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uu9_bi3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uum_afi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uuo_brf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uv5_brw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uv6_cce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uvt_i48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uvu_dch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uw6_nct.sdf test 113 Start 113: test_ketformat_8 113: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "8" 113: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 113: Environment variables: 113: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 113: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 113: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uwf_deg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uwt_gtl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyc_pu7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyd_pu8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uye_pu9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyf_pu1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyh_pu0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyi_puz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyk_pux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uym_pu3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uyr_d1l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uys_h1l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uz1_ifl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1uzw_cdh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v08_ntz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v0o_inr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v1a_kdg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v1j_fa3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v1k_3fp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v2h_gun.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v2o_anh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v39_m7g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v3q_2di.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v3x_d76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v40_o16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v41_azg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v45_3dg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v48_ha1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v4s_mrk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v5y_4hc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v5z_2hc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v79_fr7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v7a_frc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1v9q_czm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1va6_p2s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vaf_arr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vam_pna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vcj_iba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vdv_mos.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vdv_ysh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1veb_i05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vgc_v36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vj3_tab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vj9_5in.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vja_7in.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vjy_460.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vkg_cri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vm1_taz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1vzq_shy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w04_hcg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w06_w05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w0c_taq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w0y_771.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w0z_si1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w11_sk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w13_sm1.sdf 108/333 Test #113: test_ketformat_8 .................................................................................... Passed 0.08 sec test 114 Start 114: test_ketformat_9 114: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "9" 114: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 114: Environment variables: 114: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 114: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 114: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w19_t1p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w19_t2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w19_t4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w19_t5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w1p_gio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w1t_chq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w1v_alj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w1y_typ.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w22_nhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w29_ts0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w29_ts1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w2d_4ip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w2k_380.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w2o_p1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w3j_oxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w3v_mdz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w3y_pvc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w4l_gl8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w4o_ua3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w4p_um3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w4q_umf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w6h_tit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w6k_lan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w6r_gnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w6y_equ.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w78_pd8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w7g_miu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w7x_413.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w82_l10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w83_l11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w8l_1p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w8m_e1p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w96_s1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w9b_cgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1w9b_gol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wax_lo1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wb5_syr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wb6_vxx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wbk_568.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wbn_l09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wbs_li2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wbt_wbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wci_wwf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wda_bag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wkg_poi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wm0_plb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wm1_ptb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wn6_bst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1woa_g2h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wok_cnq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wop_ffo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wqv_psm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wrr_unc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ws4_amg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wss_3cb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wsv_thh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wtg_3bp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wua_ap8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wun_p5b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wut_bn2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wuy_bn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wv0_bn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wv1_bn5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wv7_5pi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wvj_ibc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wvx_bd4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wxj_ipl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wxy_frk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wxz_frl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wzd_yok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wzf_yol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wzg_yom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1wzy_f29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x1i_46m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x1j_46d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x29_pmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x2a_pdg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x2b_stx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x2e_atx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x6n_ao3.sdf 109/333 Test #114: test_ketformat_9 .................................................................................... Passed 0.10 sec test 115 Start 115: test_ketformat_10 115: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "10" 115: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 115: Environment variables: 115: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 115: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 115: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x6u_do8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x70_715.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x71_db1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x76_697.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x78_244.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x7a_187.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x7b_041.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x81_jan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x84_sbh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x88_nat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x89_cm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x8i_bmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x8r_sc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x8t_rc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x8u_cm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x8v_esl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x97_fir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1x9d_smd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xai_crb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xan_hxp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xbo_ix1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xbx_hms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xcw_3sa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xcx_iab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xd0_are.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xd1_6sa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xdd_aay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xdg_ab8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xe5_5fe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xe6_5fp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xfg_hga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xgi_nst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xgj_htc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xh0_aao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xh4_r69.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xh5_r68.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xh6_r94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xh7_r96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xh8_r55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xi2_cb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xij_the.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xiv_rb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xka_4pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xkx_imk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xl2_189.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xl5_190.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xl8_ocb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xli_glt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xlm_xyl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xlr_vnl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xls_tcd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xlu_isp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xlz_fil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xm1_gah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xm4_pil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xm6_5rm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xmu_rof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xmy_rol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xnn_hyq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xnx_ate.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xoe_abx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xog_abw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xom_cio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xor_zar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xot_vdn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xow_r18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xp1_aih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xp9_aij.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xpo_bcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xpr_fb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xpu_fpd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xpz_4tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xq0_4tr.sdf 110/333 Test #115: test_ketformat_10 ................................................................................... Passed 0.09 sec test 116 Start 116: test_ketformat_11 116: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "11" 116: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 116: Environment variables: 116: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 116: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 116: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xqc_aej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xqk_pmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xqx_pcs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xr3_isz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xuc_pb3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xud_pb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xuh_bao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xuo_la1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xur_pb5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xvp_cid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xvp_f15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xws_bi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xxp_ptr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xxs_ste.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xyc_3mf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xym_glo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xz0_jh0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1xzq_fon.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y0s_331.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y0x_t44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y1d_fhi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2b_dee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2c_3de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2d_4de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2e_5de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2f_wai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2g_cl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2h_6de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y2k_7de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y3u_uiq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y3v_uir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y3w_uip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y3x_uib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y57_mpz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y59_tl1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y5a_tl2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y5b_tl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y5v_ne8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y5w_nez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y5x_e89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y6a_aaz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y6b_aax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y6o_mji.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y6r_mtm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y8j_sts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y91_ct9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1y9t_hhg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ya4_ctx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ya8_smb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yah_eee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yb6_mnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yb7_icn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ybg_tav.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ybh_cie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ybq_bdh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yc1_4bc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ycl_kri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ydr_iqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yds_iqs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ydt_iqb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yfw_4aa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ygc_905.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ygj_rmc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ygk_rrc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yhj_r6c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yhy_1mm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yhy_p22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yi1_1tb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yi3_ly2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yim_cm4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yin_cm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yki_nfz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ykr_628.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ymt_dr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ynd_sfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ynh_suo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yni_sug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ynj_srn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yns_hpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yol_s03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1you_pfd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yow_p0e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yp9_uiz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yqy_915.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yrs_l47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yry_msg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yvf_ph7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yvj_4st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yvm_tmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yvx_ipc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yvz_jpc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yw2_pgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yw7_a41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yw8_a75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yw9_a84.sdf 111/333 Test #116: test_ketformat_11 ................................................................................... Passed 0.10 sec test 117 Start 117: test_ketformat_12 117: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "12" 117: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 117: Environment variables: 117: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 117: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 117: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ywn_lif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yxq_swi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yxx_li7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yy4_4na.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yye_196.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yyt_saz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yyu_raz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yz3_ska.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1yzx_gsf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z11_8mo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z2l_1al.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z2o_i4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z2p_i3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z3n_3na.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z4j_u2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z4o_gl1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z4q_d4m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z4u_ph9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z4x_slt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z5m_li8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z62_iaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z6j_py3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z6l_dre.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z6p_194.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z71_l17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z7j_t4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z7y_aa5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z89_62p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z8n_1iq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z8q_deb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1z9g_rrt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zab_urd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zaf_789.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zd2_nc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zd3_nc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zd4_nc6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zd5_nc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zdp_tio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zdt_pef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zdu_p3a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zed_pnp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zeh_crs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zeo_c01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zfk_nr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zg3_2hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zg7_p20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zg8_l98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zg9_l06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zga_hmk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zgb_a1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zgc_a2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zgi_382.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zgj_p1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zgv_501.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zh0_nal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zh6_4af.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zha_r5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zht_hcr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zi5_dr3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zj3_dr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zjp_dr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zly_dqb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zly_grf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1znd_pe9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zne_he2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zng_he4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1znh_oc9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1znk_f09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1znl_de1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zo9_epm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zoe_k25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zog_k37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zoh_k44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zot_ema.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zp5_2ni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zpd_dpx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zpl_mag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zq5_e04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zr8_ajm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zrb_062.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zrk_367.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zs0_ein.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zsj_709.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zsk_421.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1ztq_033.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zua_tol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zuc_t98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zvx_fin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zwh_rde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zxc_ih6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zxv_mfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zyq_dad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zys_199.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zyx_lcf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zz2_b11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/1zz3_3yp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a0c_ck9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a2r_gsn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a31_pg3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a3c_pnx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a3x_cpk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a3y_cpj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a4r_bnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a4z_bym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a5b_8hg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a5c_8da.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a5u_qyt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a7p_3il.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a7q_cfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a85_hoc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a8h_4nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a8u_dr5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a9w_ga9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2a9y_26a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aa2_as4.sdf 112/333 Test #117: test_ketformat_12 ................................................................................... Passed 0.13 sec test 118 Start 118: test_ketformat_13 118: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "13" 118: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 118: Environment variables: 118: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 118: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 118: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aa3_ap0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aaq_aup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ab2_snl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ab6_gsm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ab8_mtp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2abi_1ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2abj_cbc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2acl_l05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ada_hpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2adu_r20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aei_03r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2af9_dao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2afu_bgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2afx_1bn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ag2_ch5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ag2_lp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ag6_4bf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2agd_udh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2agv_bhq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2agw_tss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ahg_ucd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ai1_p1g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ai2_p1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ai3_p2g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ai8_sb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aia_sb8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aie_sb9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aio_mx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2air_al0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aix_u1k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aj8_sc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2akw_200.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2al5_fwd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2alw_mnm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2amb_17h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2an3_ctl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2an4_otr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2an5_ttl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ank_n12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2anm_cdo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ano_817.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2anq_c1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aob_s1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aot_2pm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aou_cqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aov_4di.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aov_c2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aow_tha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aq7_tl5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aqb_tl6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2asm_rga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2aso_spx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2asp_rgc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ath_3ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ati_ihu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ato_myq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2awh_vca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ax7_fhm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ax9_bhm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay1_ahc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay2_cxp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay3_mpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay4_ppt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay6_3ib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay7_clt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay8_4tb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ay9_5pv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ayp_43a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ayw_ono.sdf 113/333 Test #118: test_ketformat_13 ................................................................................... Passed 0.09 sec test 119 Start 119: test_ketformat_14 119: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "14" 119: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 119: Environment variables: 119: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 119: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 119: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2az5_307.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2azr_982.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2azz_tch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b00_gch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b03_tud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b07_598.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b0m_201.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b0q_nmy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b1g_13a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b1i_93a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b1p_aiz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b37_8ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b4b_b33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b52_d42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b53_d23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b54_d05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b55_d31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b6a_t50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b77_3ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b7d_c1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b7p_pht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b8o_0gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2b99_rdl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2baj_1pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bal_pqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ban_357.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bb7_qms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bbf_344.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bdf_24a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bdj_het.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bdm_tmi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bdy_unb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2be2_r22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bed_736.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bel_cbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bet_dez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bev_thy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bew_thw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bfc_tzd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bgd_t1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bge_t2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bhh_ryu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bhi_c10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bhi_sft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bhj_fc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bhw_lux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2biw_3on.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bjm_anf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bju_ih4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bkt_rpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bl2_umq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2blc_cp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bm2_pm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bmc_mpy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bmg_i1h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bml_xed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bok_784.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bq6_iib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bq7_iid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bqv_a1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bqw_iie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2br1_pfp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2br6_hsl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2brb_pfq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bre_kj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2brg_dfy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2brh_dfw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2brm_dfz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2brn_df1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bro_df2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2brp_sie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bsm_bsm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bt0_ct5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bt4_ca2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bu2_tf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bu6_tf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bu7_tf3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bu9_hfv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bua_007.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bub_fpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2buc_008.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2buw_phb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bv7_gm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bvd_isx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bve_ph5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bvn_enx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bvr_4cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bvs_2ce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bvx_5cb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxa_c1f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxf_dzp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxh_ios.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxi_azq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxl_diu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxn_idb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxn_myr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxt_c2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxu_c1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bxv_3ft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2by4_ad4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2byh_2d7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2byi_2dd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bz5_ab4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2bz6_346.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c0i_l1g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c0o_l2g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c0t_l3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c12_spm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c1a_i5s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c1b_cqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c1z_u2f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c2s_34b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c2w_5cd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c3c_com.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c3i_iyz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c3k_abo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c3p_1tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c3q_gtx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c3u_2tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c4f_gil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c4j_gso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c4t_sa8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c4w_gaj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c58_at3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c6c_24i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c6e_hpm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c6i_dt1.sdf 114/333 Test #119: test_ketformat_14 ................................................................................... Passed 0.13 sec test 120 Start 120: test_ketformat_15 120: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "15" 120: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 120: Environment variables: 120: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 120: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 120: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c6k_dt2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c6l_dt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c92_tp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c94_tsf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c97_jcl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c9b_pug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2c9d_phr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cbo_th2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cbr_a80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cbs_r13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cbv_cgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cc2_5ad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cc7_lum.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ccc_lfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cct_2e1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ccu_2d9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cdz_23d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cej_1ah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cek_n8t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ceq_gim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cer_pgi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cf8_esh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cf9_348.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cfi_zzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cgf_p2n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cgo_fum.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cgu_3a3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2chm_3p4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2chn_ngt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2chw_039.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2chx_090.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2chz_093.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ci0_1cm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ci5_hcs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cib_cm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cjf_rp4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cji_gsk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cke_iqu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ckm_aa7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cl5_bie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2clo_f19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cm7_izd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cm8_f16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cma_f20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cmb_f17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cmc_dfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cmf_f11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cn0_f25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cn8_dbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cne_dfj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cnf_f32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cng_ize.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cnh_izb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cni_izf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cnv_sss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2coj_gbn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2csn_cki.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cvd_hql.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cxp_a5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cxq_s6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2cy6_tre.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d0e_nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d1j_d01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d1o_fa4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d1r_olu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d2g_dzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d2h_tzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d3a_p3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d3u_cct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d3z_fih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d41_snh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2d60_l35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dap_api.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dcm_ga0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2de3_obp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2de4_bps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dio_eod.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dkc_16g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dkd_ng1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dln_phy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dm5_odi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2doo_c4h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dq0_ssa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ds1_1cd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dua_oxl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2duv_371.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dwd_l2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dy5_224.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2dyx_lak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e1s_ara.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e1w_fr6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e2b_406.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e2r_2oh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e3n_6cm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e3p_16c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e3q_18c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e49_mh6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e4v_2cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e4w_c5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e4x_c5b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e4y_52a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e6f_oxc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e82_im3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e92_m0n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e94_364.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e98_b29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e99_b08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9a_b28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9c_b75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9d_b76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9n_76a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9o_a58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9p_77a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9u_a25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2e9v_85a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ea2_f77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ea4_f79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ec9_24x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2eep_aio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ef6_mdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2eg7_otd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ei1_d1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ei3_bpy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ei6_d92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2el9_hss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2erz_hfs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2esm_m77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2est_2z5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2etm_7py.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2etr_y27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2euf_lqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2evc_fc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2evd_d10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2evm_fc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2evo_ct0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ewb_zed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ewp_txf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ewy_dbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2exc_jnk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ez8_tdl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ezt_tdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f0y_3mn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f11_iem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f12_htm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f13_dym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f17_pyi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f18_gb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f1a_gb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f1b_gb3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f1g_gnf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f2c_ap9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f2h_xtg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f2k_tgg.sdf 120: ============================== 120: *** Open Babel Error in KETFormat 120: unsupported KET major version: 3.0.0 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f34_uba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f35_ubc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f38_15m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f3d_amp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f4b_eha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f4j_vx6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f6t_1c2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f6v_sk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f6w_un3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f6z_un5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f70_un6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f71_un7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7e_2ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7o_msn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7p_2sk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7q_aol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7r_sk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7x_4ea.sdf 115/333 Test #120: test_ketformat_15 ................................................................................... Passed 0.13 sec test 121 Start 121: test_ketformat_16 121: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "16" 121: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 121: Environment variables: 121: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 121: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 121: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f7z_6ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f8i_205.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f92_ahd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f94_bfq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f98_ngv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f99_akv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2f9b_n1h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2faf_20s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fb8_215.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fbr_44c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fdc_flq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fdu_d1g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fdv_d2g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fdw_d3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fdy_d4g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fg6_sn0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fgi_pd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fhy_a37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fie_a74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fim_3dp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fix_870.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fjm_073.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fjp_s14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fky_n2t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fl2_n4t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fl6_n5t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2flb_6nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2flm_6ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2flr_7nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fm0_m98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fm5_m99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fmb_lp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fme_3qc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fmn_4hf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2foy_b30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fpc_scg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fpt_ilb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fpv_ilc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fpy_ilf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fpz_270.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fq6_p3f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fqi_ilh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fqo_hyi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fqt_h1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fr5_tyu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fsz_oht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fu9_mp2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fut_h1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fv5_541.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fv9_002.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fvc_888.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fvd_lia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fwy_h64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fxe_dr7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fxl_2al.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fxs_rda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fxu_bid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fyv_w72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fzc_eop.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fzg_eob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fzi_dh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2fzk_eoz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g01_73q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g0e_cgq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g0g_sp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g0h_sp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1a_5hg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1m_4hg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1n_1ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1o_2ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1q_n9h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1r_3ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1s_4ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g1y_5ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g20_l1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g21_l1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g22_6ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g24_7ig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g27_4lg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g28_tdk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g2h_p16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g5n_23m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g5v_22m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g6p_hm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g70_hnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g70_sam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g71_fts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g78_rea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g7m_an0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g7y_mo9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g8n_f83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g8r_n3e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g8t_mi2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g8x_dtt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g97_dgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2g9x_nu5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ga2_a19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gbi_xih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gc0_pan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gc3_m6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gc8_885.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gcq_doi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gd8_po1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gdo_12c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2get_cok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gfj_vi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gfk_vii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gfx_pmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg0_u11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg2_u12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg3_u13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg5_u19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg7_u14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg8_u15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gg9_u16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ggb_u17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ggx_npj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gh6_cf3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ghg_a53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ghl_lib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ghm_lic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2giq_nn2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gir_nn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2giu_fbr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gj4_2th.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2glm_scb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2glp_bde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gm1_2az.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gm9_3th.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gms_p0p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gmv_un8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gmx_877.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gnh_h52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2go4_tux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gpp_1ba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gqn_blp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gqx_5cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gru_cak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gru_exo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2grx_fci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gsq_gbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gst_gps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gtb_azp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gte_va.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gtk_208.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gtm_lid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gtn_lie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gu5_nlp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gu8_796.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gv6_730.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gv7_672.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gvd_128.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gvv_di9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gvz_ona.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gwc_bsc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gyi_hya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gyw_obi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gz7_d3f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2gz8_f3f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h02_2un.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h03_3un.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h04_4un.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h0j_urn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h0t_tem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h26_6pl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h2i_zpg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h3e_6pr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h3w_hc5.sdf 116/333 Test #121: test_ketformat_16 ................................................................................... Passed 0.12 sec test 122 Start 122: test_ketformat_17 122: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "17" 122: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 122: Environment variables: 122: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 122: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 122: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h44_7ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h4g_694.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h4i_lbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h4k_509.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h55_dz8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h59_3od.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h5l_3dd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h79_t3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h7j_p15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h7r_1mz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h8h_h8h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h8m_nei.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h96_893.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h9i_ead.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2h9y_naf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ha6_sck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ha7_bch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ha7_etm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hai_pfi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ham_c33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2har_occ.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2has_c3o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hb1_512.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hb3_grl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hb7_o1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hb8_mvd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hb9_l13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hbh_xe4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hch_n5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hck_que.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hdq_c21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hdr_4a3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hds_4mb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hdu_f12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hfk_e4h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hfp_nsi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hg1_n5o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hgz_pbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hha_3tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hhn_gnq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hhw_23t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hiw_7mp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hj4_pnz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hjb_pzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hk5_1bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hlv_lik.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hml_pey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hmm_an3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hmo_3nt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hmp_211.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hnz_pc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hog_710.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hp1_ea5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hp2_ke4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hpa_pt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hs3_fgr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2htu_bcz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hu6_37a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2huw_yvn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hvc_lgd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hvx_drx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hwh_rna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hwi_vrx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hwq_dry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hx2_3hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hx4_4hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxc_abn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxl_422.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxm_302.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxq_373.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxt_ehm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxu_lfc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hxz_h7j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hy0_306.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hy8_1st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hz0_gin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hzi_jin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hzn_kin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2hzy_dhj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i0e_pds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i0g_i0g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i0v_6c3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i1m_5cn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i1r_vxr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i2b_cc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i2c_dta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i2d_a2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i30_sal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i3i_618.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i3z_lir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i40_blz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i47_kgy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4d_qfi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4g_ua1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4j_drj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4m_psd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4n_5ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4q_ua4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i4u_djr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i5c_ip5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i5f_5ip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i5j_k05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i5x_ua5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i66_g1r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i66_g2r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i6a_5i5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i6b_89i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i6k_ea2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i7d_dur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i80_g1l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2i9g_bpi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ica_2ic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ie0_zid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ieg_fry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ieh_moy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iei_frx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iej_s48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2igx_a1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2igy_a2t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ihq_lg7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ihu_tp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ihu_tp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ihv_gva.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iit_872.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iiv_565.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ikg_bto.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ikh_lit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iki_388.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ikj_393.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iku_liy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2il2_lix.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ilp_gb5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ilt_nn1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ima_gb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2imb_ahl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2in6_839.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2inx_ffp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2inz_ohp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2io6_330.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iok_iok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ipf_ffa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ipo_1ip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iqd_lpa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2irv_pgv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2irw_nn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2is7_2cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2isf_pac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iso_gff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2isp_ggh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2itm_xul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ito_ire.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2itq_itq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iu3_203.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iux_nxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iuz_d1h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ivd_acj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ive_twn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ivi_acw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ivj_bcv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ivs_ack.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ivu_zd6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iw6_qq2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iwe_2ih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iwi_hb1.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iws_np4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iwu_np5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2iwx_m1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2izk_gll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2izr_brk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2izs_brq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2izu_p01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j08_irf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j14_gni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j2i_ly4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j2p_sc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j2u_gsq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j34_gs6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j38_gs5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j3k_hne.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j3q_tfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j47_gdv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j4a_oef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j4g_nb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j4i_gsj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j4z_626.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j51_dki.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j5v_pca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j5v_rgp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j62_gsz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j6m_aee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j75_noy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7c_ide.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7d_gi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7e_gi2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7f_gi3.sdf 117/333 Test #122: test_ketformat_17 ................................................................................... Passed 0.14 sec test 123 Start 123: test_ketformat_18 123: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ketformattest" "18" 123: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 123: Environment variables: 123: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 123: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 123: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7g_gi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7h_azf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7t_274.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j7y_e3o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j94_g15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j95_gsx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j9f_thv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2j9y_foo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jai_cir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jaj_d20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jam_j60.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jau_po4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jav_5z5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jaw_bvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jb4_a14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jb8_hkv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jbt_4hp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jc0_699.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jc1_698.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jc6_qpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jcs_ttp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jcv_ndp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jdr_l20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jed_lg8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jev_nhq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jew_720.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jey_hlo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jf4_vdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jff_lk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jfh_lk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jfz_003.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jg0_ttz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jg3_ba2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jgi_ae3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jhg_ibo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ji6_oxk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ji7_oxt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ji8_fyn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ji9_tpw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jid_gvb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jiw_beu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jj3_jj3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jjg_l18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jjk_r15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jjo_ey5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jjp_kln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jk7_bi6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jkh_bi7.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jkl_brx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jkm_bii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jko_bij.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jkq_vg8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jld_ag1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2jle_i15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ki5_ac2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2lig_phn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2mas_pir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2mbr_epu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nm2_neu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nm3_mpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nmt_mim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nmv_nml.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nmx_m25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nn1_m28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nn7_m29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nni_mtk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nnj_225.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nnl_erd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2no3_859.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2no6_etv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2no7_ldc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2no9_ltt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2noa_3tc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2np6_nea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2np8_cc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2npa_mmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2npf_mou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nq6_hm4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nq7_hm5.sdf 118/333 Test #123: test_ketformat_18 ................................................................................... Passed 0.09 sec test 124 Start 124: test_lssr_1 124: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "lssrtest" "1" 124: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 124: Environment variables: 124: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 124: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 124: Test timeout computed to be: 1500 124: Shuffling: aromatics.smi 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nr9_pqe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nru_t12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nsd_4pi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nt7_902.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nta_521.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ntj_p1h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nuv_2tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nv7_555.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nvc_ita.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nvd_itb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nw4_8nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nww_tb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nx3_1nt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2nz5_226.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o0e_s3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o0u_c0m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o0z_eps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o2c_g6q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o2u_738.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o3q_cxr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o3t_cgr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o3u_ngd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o3z_ai7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o4j_vd4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o4r_vd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o51_fru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o5d_vr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o5k_hbm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o65_myf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o7n_2o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o7o_dxt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2o8h_227.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oae_ail.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oat_pfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oaz_i96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2obd_pcw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2obj_vrv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oc2_rx3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oci_tyc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oem_1ae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2of2_547.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2of4_979.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2of8_bni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2off_off.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ofu_1n9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ofv_242.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2og8_1n8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ogy_c2f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ogz_u1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oh0_2py.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oh4_gig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oi0_283.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oiq_sti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oj9_bmi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ojf_4py.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ojg_19a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ojj_82a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ok1_33a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ole_kr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2olh_cbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2om9_aja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2onb_7pa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2onc_sy1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ony_tmj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ooh_ox3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oow_ox4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ooz_ox5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2op9_wr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2opa_fhc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2opb_f21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oph_277.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2opm_ni9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2opn_suf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2opp_hbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2opy_co9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oqv_ma9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2or4_qus.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2orj_bm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oro_228.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2orp_r86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2orq_msr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2orr_333.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ors_391.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ort_342.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2osc_muh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ot1_n3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ouz_c3d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ov4_aqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ovv_pfh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ovy_pfj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ow3_bim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ow6_nk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ow7_nk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ow9_sp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oxd_k32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oxx_k22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oxy_k17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oye_im8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oyf_iac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oyq_n5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oyu_ims.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oz0_pyr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2oz7_ca4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ozr_gg1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p15_ezt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p16_gg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p1n_cfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p1s_gfg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p1t_3tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p1u_4tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p1v_5tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p2h_994.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p2i_608.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p33_j07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p37_m13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p3l_g3a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p3o_gta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p3q_gp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p3t_993.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p3u_663.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p41_g1g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p4i_mr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p4y_c03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p53_nng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p54_735.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p55_mra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p59_gg4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p6f_gn8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p6g_3lp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p71_ihd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p7a_43m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p7t_1em.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p8b_nsk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p8o_bva.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p8s_417.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p93_me1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p94_me4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p95_me5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p98_ye7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2p9a_ye6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2paf_npf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pax_4an.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pbw_doq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pd3_tcl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pd4_dcn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pdh_47d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pe0_39z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pe1_517.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pe2_464.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pe5_145.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2per_mnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pfg_ddd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pfh_ldt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pg2_k01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pga_anu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pgl_n1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ph8_35a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2phb_230.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pid_ysa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pin_leg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pio_2mi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pit_4hy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2piy_528.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2piz_606.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj0_922.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj1_578.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj2_864.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj3_86a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj4_414.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj5_11b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj6_059.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj7_235.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj8_17a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pj9_281.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pja_33z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pjb_983.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pjc_343.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pjl_047.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pjt_347.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pnc_clu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pnr_red.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pnu_enm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pp1_llh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pp3_lgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pq9_gg9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pqz_g0g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pr2_dg1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2prh_238.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2prl_ddq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2prl_r2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ps1_oro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2psj_cei.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2psu_muu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2psv_muv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pu2_dk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2puj_hpz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pun_sr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2put_f6r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2puv_m6r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2puz_nig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvh_p19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvj_p44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvk_p45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvl_p55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvm_p29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvn_p63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvv_ose.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pvw_g88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pw0_trc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pwa_b2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2px1_rip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pxh_bp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pxi_gfh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pyz_au4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pzi_axx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2pzy_b18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q09_di6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q1l_882.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q2n_h01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q2y_mkr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q2z_mkk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q3j_h02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q59_240.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q5a_16p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q5g_1fa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q5l_s1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q5p_241.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q5q_kpv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q5s_nza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q61_sf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q6b_hr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q6c_hr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q6j_a48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q6m_p34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q6n_1ci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q6r_sf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q7q_c2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q85_973.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q8g_azx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q8i_rdc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q8m_fbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q8s_l92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q92_b23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q93_b21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q94_a04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q95_a05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q96_a18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2q9f_c3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qbp_527.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qbq_4b3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qbr_910.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qbs_024.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qc6_g12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qcg_5bu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qcm_jw5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qct_561.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qcx_pf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qdt_i38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qe2_452.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qe5_617.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qg0_a94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qh6_ode.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qhn_582.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qhx_fe1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qhy_mz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qhz_mz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi0_mz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi1_mz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi3_mz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi4_mz6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi5_mz7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi6_mz8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qi7_mz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qia_u20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qie_8cs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qiq_cyv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qiv_u21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qje_bad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qjm_cs2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qjr_pzf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ql6_tiz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qlq_sr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qmy_ad1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qn1_0as.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qn2_0ma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qn8_nby.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qnq_qn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qnv_cdz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qo8_3cc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qoe_448.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qpj_i20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qpl_bty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qpu_qpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qr2_vk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qr9_hz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qs1_ub1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qs2_ubf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qs3_ube.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qs4_ly5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qt0_nnr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qt9_524.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qtb_474.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qtu_3as.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qu3_462.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qu5_276.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qu6_857.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qu9_eug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qum_tag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qv4_qv4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qwd_4am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qwe_gna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qwg_g28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qwi_g20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qx8_ml2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qyk_npv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qzr_s79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qzs_250.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2qzz_emf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r0u_m54.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r0y_aly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r1n_epl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r1p_dpj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r2l_pb9.sdf 119/333 Test #124: test_lssr_1 ......................................................................................... Passed 0.45 sec test 125 Start 125: test_lssr_2 125: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "lssrtest" "2" 125: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 125: Environment variables: 125: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 125: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 125: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r2w_4pg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r3m_scx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r3n_scz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r3p_3sc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r3q_5sc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r40_20e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r4f_rie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r59_ph0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r5n_rp5.sdf 125: Shuffling: nci.smi 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r5q_1un.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r64_740.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r6w_llb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r6y_llc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r7b_253.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r8o_t5x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r8p_t6f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9c_grd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9k_sgi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9m_y11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9n_y14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9o_y15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9s_255.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9s_tfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9w_23c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2r9x_wh6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rah_11p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rbe_zmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rch_243.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rcw_aai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rdd_aic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rdn_1pl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rdt_2rd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2re8_gsu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rew_rew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rf2_mrx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rfh_23n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rfn_am7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rfs_am8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rg5_279.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rg6_287.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rgp_hyz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rgu_356.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rhr_emo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rht_c1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rhu_mly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rhw_c0e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rhy_mlz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ria_289.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rib_gmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rid_291.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rie_293.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rip_34q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rj4_ad7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rjp_886.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rkd_3pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rke_sat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rki_tt1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2rl5_2rl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2roy_p28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2sli_skd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2tcl_ro4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2tct_ctc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2tdt_npi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2tmn_0fa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2tys_plt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2upj_u02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2usn_in8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uue_mtz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uuh_lmu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uuo_lk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uup_lk4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uv5_amz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uvy_gvi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uvz_gvj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uw0_gvk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uw4_l15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uw5_gvn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uw7_gvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uw8_gvq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uwd_2gg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uwl_895.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uwo_701.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uwp_894.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uxi_g50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uxn_fda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uy3_h33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uy5_h35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uyi_k02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uym_k03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uzl_c94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uzt_ss3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uzv_ss5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2uzw_ss4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v00_v15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v0i_ud1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v0z_c41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v10_c61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v11_c80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v12_c39.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v13_c40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v16_c47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v2a_13p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v2q_nvg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v2v_v12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v2z_cdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v3e_nnd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v3h_i25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v3i_xx6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v3o_i26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v3r_xx7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v42_nds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v5x_v5x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v5z_sag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v77_pay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v7m_dte.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v7v_5fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v91_s55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2v9c_mre.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vag_v25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vaq_vaw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2var_kdf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vau_v20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vba_p4t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vbb_vaz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vbd_v10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vbp_vb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vc2_180.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vce_tc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcg_s17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vci_2gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcj_2eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcm_m11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcq_d25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcw_zza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcx_d26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vcz_vc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vd0_d27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vd1_d28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vd4_p21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vd5_bi8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vdm_agg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ve1_w2x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2veg_pmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vek_asf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2veu_iz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vev_iz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vew_iz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vex_iz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vey_iz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vf3_gvs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vf5_glp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vft_sor.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vg2_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vg5_nnc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vg6_nnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vg7_nni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vgc_v35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vgk_rez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vgo_ad5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vgp_ad6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vh0_gsi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vh6_gsv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vi0_vam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vi5_y19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vin_505.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vio_l1o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vip_l1r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2viq_d55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2viv_vg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2viw_d56.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vj8_ha2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vkf_cf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vkg_cf4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vku_dbe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vle_dzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vlh_pm9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vn0_tdz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vnp_ded.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vnt_qgg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vnw_m01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vny_m02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vo0_m03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vo3_m04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vo6_m05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vpn_4cs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vpo_6cs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vpp_geo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vpr_tdc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vq5_hba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vqo_tfg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vqv_ha3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vrj_ncw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vrx_447.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vsu_v55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vtd_lkm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vte_ik4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vu1_opi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vu2_pn5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vuk_p83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vur_yx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vv9_im9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvc_lzf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvn_nht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvo_a6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvp_r52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvq_r10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvt_i24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvu_h22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vvv_h21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vw5_bc6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwc_bc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwl_lzh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwn_h25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwo_lzg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwu_7x1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwv_7x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vww_7x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwx_7x4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwy_7x5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vwz_7x6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vx0_7x7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vx1_7x8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vyp_rh9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vz7_pxi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vzm_nrb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vzq_unf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vzs_gcs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2vzt_pnj.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 11 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w05_frt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w06_frv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w08_tpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w09_cm9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w0a_cii.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w0b_cmw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w0j_zat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w0u_c7c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w0v_lzr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w0w_lzs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w15_wr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w17_i19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w1c_l0c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w1e_l0e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w1f_l0f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w1g_l0g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w1i_l0i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w26_riv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w3b_vg9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w3l_dro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w4i_vga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w4x_stz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w5p_cl8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w5u_ic3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w66_hq6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w67_f34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w6c_bm4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w75_n8e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w7x_d1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w8y_ndr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w93_py0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2w98_p1z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wa3_a29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wa4_069.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2waj_snb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wb5_vgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wbb_ro3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wbd_ro5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wc3_am3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wc4_amf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wc5_bom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wca_np6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wcg_mt5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wch_b7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wcj_m21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wcl_b8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wcm_b9m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wd1_zzy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wd2_ms5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wd3_ms4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wea_pp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2web_pp4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wec_pp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wel_k88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wex_gym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wf7_g7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wf8_g1p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wge_tlm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wh8_ii2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2whf_ii4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2whi_1az.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2who_vgi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2whq_hi6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2whr_k27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2whw_1d4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wi5_zz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wi7_2kl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wi9_1d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wj6_zz8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wjp_d17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wk6_iur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wka_p89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wkm_pfy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wks_cb6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wls_x13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wm3_nfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wm4_vgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wmd_zz0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wnz_2op.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wo8_077.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wo9_023.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wo9_068.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2woa_576.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wog_zzd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wom_zze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wos_6an.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wot_zzg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wou_zzf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wp5_wp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wp6_wp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wpa_889.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wpb_zzi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wpc_wp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wpe_wpe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wpf_wpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wqb_qq1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wqo_vgk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wr6_odt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wrm_qq3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wsx_nm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wtc_vgm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wtd_zzk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wti_wti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wtj_wtj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wu1_fgs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wu4_hbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wue_kek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wuf_kem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wv8_vgn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wvg_tpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wwj_y28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wx9_nge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxb_dtu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxd_e18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxg_zzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxh_zzo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxi_s30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxj_rw3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxk_rw4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxl_zs4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxm_zzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxn_dln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxo_zzp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxq_zzq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wxv_wxv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wyc_3la.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wyg_461.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wyp_kdn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wz0_zzt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wz6_zo0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wzd_3pg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2wzi_5fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x05_x05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x09_x09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x0h_14t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x0u_x0u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x0v_x0v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x0w_x0w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x0y_x0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x15_x15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x1e_x1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x1h_x1h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x2k_x2k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x2l_x2l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x2m_x2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x2r_x2o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x2w_x2w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x38_ic8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x39_x39.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x3t_gyv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x4f_16x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x4z_x4z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x5o_vsv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x68_cte.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x6d_x6d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x6e_ym4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x6o_2tc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7c_kz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7d_egb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7e_x7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7f_824.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7g_pvb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7h_pfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7s_wzc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7t_wzb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x7u_wza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x90_eal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x92_x92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x93_x93.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x94_x94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x95_x95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x97_rx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x9e_sve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2x9f_x9f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xa4_az5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xae_2xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xb5_i7t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xb8_xnw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xba_571.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xbj_xbj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xbl_m7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xbv_xbv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xbw_455.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xbx_rr8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xc3_rt8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xca_dgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xcf_bbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xch_ckg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xck_mh4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xd6_xd6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xd9_xd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xda_jps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xe2_oes.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xef_ar8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xeg_ci9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xei_ark.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xej_okd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xg4_xc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xg5_ec2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xg5_ec5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xh5_x37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xhm_k26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xhr_c0p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xi4_aft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xir_00j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xj1_xj1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xj2_985.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xj7_gc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xjx_xjx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xk3_xk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xk4_ol2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xk6_eqh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xk7_30e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xk8_5r1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xk9_xk9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xkc_4vq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xkd_t3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xke_wi2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xkf_bx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xkw_p1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xm1_ltm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xm8_b4w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xm9_lwh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xmy_cdk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xn5_fun.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xne_ash.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xng_a0h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xnm_wgz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xnn_430.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xno_ed8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xnp_wcx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xo8_ad9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xog_sfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xp5_4ff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xp6_4g2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xp7_4f8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xp8_4fy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xp9_4g8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xpa_4g5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xpb_4ge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xpc_051.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xpk_z0m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xpw_otc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xqj_vx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xru_400.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xsh_dc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xsi_9ne.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xtu_bng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xtv_mc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xu3_xu3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xud_dme.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xuf_tz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xuj_tz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xv1_eca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xvd_as6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xvn_kls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xvq_9ds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xvu_9dn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xvw_9nr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xw0_9nf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xw1_9nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xwd_lgs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xwo_slm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xx2_13c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xx3_tae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xx4_13i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xx5_13n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xya_7l4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xyd_3es.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xyj_wlm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xyu_q9g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xyw_08s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xyx_z00.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xzg_vh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xzi_kdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2xzj_kfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y00_y00.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y02_whj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y04_68h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y0j_axc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y1d_34f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y1o_t26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y1w_849.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y1x_845.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y2b_mhi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y2f_yi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y2v_me2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y37_a54.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y3i_la8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y41_ipm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y5f_xwg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y5g_fjd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y5h_y5h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y5k_ycu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y5l_ro8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y60_m8f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y66_n04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y67_n21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y68_t04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y6c_tqi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y6d_tqj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y6f_m9f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y76_cb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y77_cb8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y7x_mza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y7z_c0z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y81_931.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y88_2er.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2y91_98j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yac_937.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yak_osv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yb9_ha0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ybs_s2g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ybt_dw0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ybu_cx9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yc3_mw5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yca_zm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycf_ycf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycm_30a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycn_p61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycq_upx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycr_hcw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycs_nxp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yct_9po.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yct_pli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycw_cau.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ycz_i32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydf_io3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydi_ydi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydj_ydj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydk_ydk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydm_slc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydu_79w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydv_nec.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ydw_wsh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ye9_2d4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yek_eam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yfe_yfe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yfj_1it.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yfl_dc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yg2_s1p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yid_td7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yig_5el.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yiq_yiq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yir_yir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yit_yit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yix_yix.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yiy_yiy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yjd_yjd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ykb_ykb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ykc_ykc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yke_yke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yki_yki.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ykj_ykj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ykm_ykn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ylo_ylo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ylp_056.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ylq_ylq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yly_su4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ym4_4ym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ym5_ym5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ym8_ym8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ynf_whu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ynh_eur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yni_cxd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yoj_8y6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yol_ebn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ypu_i41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yvk_mru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ywp_a42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yxj_n3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yxn_azy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yy1_nlc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2yze_nob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z0p_4pt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z24_dor.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z2p_dol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z2w_770.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z3h_blo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z3i_bls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z3y_f2n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z4b_dc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z4w_749.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z4x_252.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z4z_sc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z50_028.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z52_h23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z5u_faj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z60_p3y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z68_til.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 13 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z6q_dcz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z71_pnv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z78_h86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z7h_gg3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z7i_742.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z7k_bgu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z7l_s91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z94_tld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z9k_doz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z9l_daz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z9v_pxm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2z9z_ddr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2za0_mgi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2za5_2ff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zas_1oh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zaz_gk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zb0_gk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zb1_gk4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zb4_5op.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zbh_bvl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zcq_b65.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zcr_b69.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zcs_b70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zdn_49u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zdt_46c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zdu_446.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zdx_p4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ze1_411.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ze6_dst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zeb_11m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zec_11n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zeu_b71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zfs_12u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zfx_yr3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zga_ydp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zi5_3l1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zi6_3d1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zi8_sdt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zia_cl9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zir_nh7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zis_nh8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ziz_ad3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zjf_bsu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zjv_ct4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zjw_ref.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zk6_c08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zkc_bpz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zl9_vda.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zla_vdb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zlg_mrt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zm1_ksf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zm3_575.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zm4_ksm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zmb_pxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zmh_nya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zmi_tt2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zmj_mi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zmm_35b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zn7_410.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zno_s44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2znp_k55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2znq_401.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zoq_5id.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zox_png.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zp0_pi0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zp1_iyr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zq2_13u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zsi_ga4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zt5_b4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zt8_drv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2ztx_dtz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zv2_609.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zvj_kom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zwl_567.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zxc_2ed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zxg_s23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zxm_jb1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zxn_jc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zxz_p26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zy0_21p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zy1_830.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zyb_ksl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zyu_pps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zz2_6cn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/2zzu_359.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a0i_aji.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a29_2t0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a2c_pdy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a2i_tej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a3z_2mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a40_23r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a4p_dfq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a50_vd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a73_pj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a74_lyn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a78_3ev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a7d_fbn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a7r_laq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a7y_o13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a7z_o14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a8b_br6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3a9e_754.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aau_gzc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aav_a2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3abt_2pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3abu_12f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ac1_kzi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ac2_kse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ac3_ksh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ac4_kzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ac5_kzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ac8_ksk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3acj_kss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ack_ksr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3acl_3f1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3acw_651.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3acx_673.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3acy_702.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ad4_kbm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ad5_5pb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ad6_ksc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aez_paz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3af4_gcp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3afr_icj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aga_rcc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ai8_hnq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ajh_bl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3akg_ahr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aki_ah8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3akn_11d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3am9_fyo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3anl_syc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3anm_syd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ann_sye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3anq_ehb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3anr_hrm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ans_s38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ant_s82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ao2_avx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ao3_bmc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ao4_833.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ao5_bby.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aoc_ery.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aox_emh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3apc_mmd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3apd_mmy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3apf_bmw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3apv_tp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3apw_dp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3apx_z80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aq0_isy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aqa_byh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aqc_2de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ar7_tg1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ara_mkh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3arn_msj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3asj_xym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3asj_xyn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ask_m3l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3asx_d99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3at3_atk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3at4_cck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3au9_fom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aua_f98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aun_yr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3aur_ca9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3avp_mv2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3avq_mv1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ax7_xax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ax8_eim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3axw_tid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3az1_ds2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3az2_ds3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3az3_ds6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b03_vnr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b04_oop.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b05_fnr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b0q_mc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b0t_mcz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b0w_dgx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b1m_krc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b29_lsm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b2t_m33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b2w_9nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b3o_ji3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b3p_ji7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b3x_a33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b5b_ndn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b5r_b5r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b65_3b6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b66_b66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b67_b67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b68_b68.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b6h_mxd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b7d_cni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b7j_jug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b7u_kel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b8q_900.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b8r_887.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b8x_g4m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b8z_294.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b92_440.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b99_u51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b9j_290.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b9m_azz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3b9x_nos.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ba8_3b8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ba9_3b9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3baa_3ba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bab_3bd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bbt_fmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bc3_opt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bc5_zaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bdj_141.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bdk_dno.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3be2_raj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3be9_p04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bea_ixh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bej_muf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bel_pox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ben_leh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bet_ctf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bfi_ndu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bg8_inh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgb_ljg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgc_ljh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgl_rid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgp_vx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgq_vx2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgx_mef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bgz_vx3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bhe_bzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bhh_5cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bhm_ab3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bhm_ahe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bhx_bhx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bi1_3bi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bi2_297.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bi4_298.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bi5_dia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bi6_396.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3biz_61e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bjc_wan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bk0_cnu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bki_fqx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bkk_kaf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bkl_kaw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bl1_bl1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bl7_dd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bl9_dd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bla_dd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3blb_swa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bll_bpq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3blq_atp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3blr_cpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bmy_cxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bnm_spj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bnu_spz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bnz_c16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bpr_olp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bqd_day.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bqf_ssm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bqm_bqm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bqn_bqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bqr_4rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3br0_mgr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3br9_dey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bsa_1pd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bsc_2pd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3btj_deq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bto_ssb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bvt_wz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bvu_wz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bvv_wz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bvw_wz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bvx_wz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bxg_bg6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bym_am0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3byo_am9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bys_am5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3byu_am6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3byx_c00.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3byz_h11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bz7_bl4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bz8_bl6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bz9_bl7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3bzu_a21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c06_14c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c1k_t15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c1x_ckk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c2y_s60.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c3u_c2u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c43_315.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c45_317.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c49_ku8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c4e_c4e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c4f_c4f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c4h_drl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c56_ph4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c6n_2s8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c6p_2s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c6t_m14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c6u_m22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c72_cx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c7i_tvn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c7p_pof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3c9t_tps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cak_efs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cav_ci2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cbf_n5f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cbl_stu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cbp_sfg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cbs_r12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ccb_b2y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ccc_7ac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ccn_lkg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cct_3hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ccw_4hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ccz_5hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cd0_6hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cd5_7hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cd8_l5g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cda_8hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cdb_9hi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cde_n3h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ce3_1fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ceh_ave.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cej_avf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cem_avd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cen_fxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cf6_sp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cf9_agi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cfl_5ch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cgf_jnf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cgo_jno.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ch6_311.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ch9_xrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3chc_zrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3chd_wrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cho_4bg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3chp_4bo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3chq_4bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3chr_4bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3chs_4bu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cj0_sx2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cj2_sx3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cj3_sx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cj4_sx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cj5_sx6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cjf_sav.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cjg_kim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cjo_k30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cjt_2mm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cke_fdf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cld_gw6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cm2_x23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cm7_x22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cmp_dbh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cmp_eb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cn8_spd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cnp_sp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cns_sp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cnt_sp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3co9_3ms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3coh_83h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cow_52h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3coy_53h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3coz_54h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cp6_rsx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cp9_c19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cpb_c92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cpc_c52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cpo_fp2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cqe_p91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cqu_cqu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cqw_cqw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cr0_809.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cr5_pnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3crb_cou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cs4_cov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cs6_0co.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3csj_cbl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cso_xni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cth_319.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ctj_320.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ctt_3cu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cuf_9mr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cug_g3i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cuh_g2i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cui_x4s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cuj_x5s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cuk_4p5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cuw_445.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cv5_m5s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cv6_hxs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cvk_n34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cwd_lna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cwe_825.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cwj_321.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cx9_lpx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cxo_1n5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cxo_3lr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cxw_7cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cy2_mb9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cy3_jn5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3cyl_vit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3czh_d2v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3czn_m5g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3czr_3cz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3czy_ad8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d04_sak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d0b_snx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d0e_g93.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d14_ak1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d15_ak2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d1g_322.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d1v_d1v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d27_w29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d28_b34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d2i_ak3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d2k_ak4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d3e_d3e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d3p_20a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4b_dzd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4l_605.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4n_d4n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4q_sm5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4s_clr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4s_tim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d4y_mvl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d50_oev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d52_ghr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d5f_l41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d5m_4ms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d5q_t30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d6o_u1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d6p_u2s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d6q_u3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d6u_t11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d6v_tfq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d6y_ber.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d7b_u4s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d7d_fbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d7f_yby.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d7g_mud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d7h_yc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d7z_gk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d80_q22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d8y_t3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d8z_txs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d90_nog.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d91_rem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d94_d94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d9d_n6c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3d9e_n8c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3da2_4md.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3da6_bz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3daj_fxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dap_da3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dbm_ho2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dbp_nup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dbs_gd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dct_064.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dcu_o62.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dcv_55e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dd1_25d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dd8_2c7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ddf_gb6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ddg_gb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ddn_hpv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dds_26b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ddu_552.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ddw_055.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dea_hzh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3deh_rxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dei_rxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dej_rxc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dek_rxd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3df9_df9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dg8_rj6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dga_rj1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dgq_eaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dgr_a12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dh8_b4n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dha_c6l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dhc_cyk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dho_b2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dhy_3dh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3di6_pdz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dj5_ak5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dj6_ak6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dj7_ak7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dj8_exy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3djk_g55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dk1_g05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dk3_sx7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dkf_sx8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dkl_unu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dko_ihz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dl9_v2h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dle_gfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dlg_gwe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dn5_53n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dnd_ll2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dne_ll1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dng_axa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dog_nnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dok_gwj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dol_gwi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dop_bdt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3doy_2be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3doz_3be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dp0_2bc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dp1_2rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dp2_4be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dp3_4bb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dp8_hct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dpd_41a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dpf_axb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dpk_8c5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dr1_c5d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3drp_r8e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3drs_r8d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ds6_a17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dsi_t24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dsz_liz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dt1_p40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dt3_369.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dt7_gtp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dt7_spv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dtc_vin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dtu_trd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dtw_a96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3du8_553.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dv3_mek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dws_fic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dx1_yho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dx2_mzb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dx3_ytb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dx4_goo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dy6_dy6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dy7_1cx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dya_pzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dyq_pcg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dz2_a8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dz4_c8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dz6_m8e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dz7_o8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dzi_rgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dzq_ifc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3dzt_eah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e01_pz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e0p_b3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e12_kd0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e16_b4c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e2m_e2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e30_ed4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e32_ed2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e33_ed7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e33_fpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e34_ed1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e37_ed5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e4a_qix.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e4e_4pz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e51_n35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e62_5b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e63_5b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e64_5b3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e65_xxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e67_bvf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e68_at6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6i_lz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6k_abh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6l_a11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6n_as3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6o_a55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6t_1a2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e6y_cw1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7b_e7b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7c_866.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7i_b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7m_at2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7o_35f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7t_b14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e7v_dzo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e80_hs2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e87_g95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e8c_g96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e8e_g98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e8n_vra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e8r_615.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e92_g6a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e9i_xah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e9s_ttt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3e9y_1ms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ea4_2sm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eah_327.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eai_328.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eau_pdn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eax_lzp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eb1_lzq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ebd_329.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ebf_332.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ebi_bey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ebs_n4e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ecg_065.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ecn_ibm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ed1_ga3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3edz_550.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eeo_pdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3efj_mt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3efk_mt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3efl_706.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eft_3bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3efw_ak8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3egw_mgd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ehx_bdl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ehy_tbl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ei6_pl4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ei8_pl5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eia_pl6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eio_ajh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ej5_ej5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ejp_hn2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ejq_hn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ejr_hn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ejs_hn5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ejt_hn6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eju_hn7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ejx_zdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ekd_pam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ekk_gs2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ekm_zdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ekn_gs3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eku_cy9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3el3_el3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3el7_pd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3elj_gs7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3elm_24f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3emg_685.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3emq_hah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3emz_hxh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3en5_ks4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3en6_ks5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3en7_abj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ene_npz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ens_ens.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3env_abf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eoc_t2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eou_pk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3epn_irn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3epo_mp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eq7_x99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eq8_x98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eq9_x97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqb_lug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqc_3bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqf_ksa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqg_4bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqh_5bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqp_t95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eqr_t74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3erk_sb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3esn_dz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eso_dz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3esp_dz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ess_18n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3et3_et1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3et7_349.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eta_351.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3etd_b1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3etr_luz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eu5_gbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3euf_bau.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ewh_k11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ewj_642.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ex8_aif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ey4_352.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eyk_eyk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3eyl_smk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ezr_ezr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f07_age.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f0b_53r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f0q_52v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f0t_ncv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f0x_53t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f15_hs1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f16_hs3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f17_hs4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f18_hs5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f19_hs6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f1a_hs7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f1o_2xy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f1q_bce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f28_s7b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f2n_izz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f2p_s3b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f3t_1au.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f3u_1aw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f3v_1bu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f46_i2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f5l_lb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f5p_741.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f66_gbl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f66_ihx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f69_xdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f6b_8pa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f6x_ihh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f78_icf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f7b_ag5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f7d_p42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f7h_419.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f7i_g13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f7u_ag4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f7z_34o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f80_6hn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f81_stt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f82_353.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f88_2ht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f88_3ht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f8s_pf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f8z_dh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f9b_pdv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3f9n_38m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3faa_55f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fal_lo2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fat_amq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fc2_ibi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fc6_lx2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fc8_ifa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fcb_ifb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fcf_fcf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fci_3fi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fcj_nie.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fck_fck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fcl_3fl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fco_iig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fcq_m3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fdc_btf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fdn_mmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fdz_dg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fed_bix.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fei_ctm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ffi_3ob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fgd_bya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fgo_cza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fh5_24p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fh7_25p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fh8_27p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fhe_28p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fhx_pxl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fi2_jk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fi3_jk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fi4_fi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fj6_cih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fjl_cjh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fjz_gpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fk7_4dm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fkb_tnm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fkb_tnv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fkl_fkl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fkn_fkn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fl1_cgp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fl5_txq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3flf_ub3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fli_33y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fln_3fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3flw_flw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3flz_flz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fmz_2t1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fne_8pc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fnf_jpm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fng_jpl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fnh_jpj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3foo_pxx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3for_znp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fp0_fp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fpd_q4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fpm_793.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fqe_p5c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fqh_057.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fqk_79z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fqo_n22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fqs_585.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fqv_11f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fr0_ajb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fr2_8ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fr3_gds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fr4_f8a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fr5_i4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fra_i2h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3frb_top.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3frc_0hg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3frg_sk4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3frj_a49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3frz_ag0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fsf_fss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fsk_ro6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fst_mry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ft8_moj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ftu_re2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ftv_11x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fty_3ip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ftz_848.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu0_22f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu3_92g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu5_492.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu6_80g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu7_d2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu8_3dm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fu9_kib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fue_11s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fue_bes.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fuf_14o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fug_2e3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fuh_5h1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fui_812.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fuj_00g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fuk_58z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ful_52d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fum_80a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fun_798.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fur_z12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fv1_dyh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fv2_ndz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fv4_1u4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fv5_1eu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fv8_jk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvf_1jz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvg_ms8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvi_osf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvk_8dx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvl_bhk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvn_9dx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvo_8ep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fvp_ub2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fw0_hh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fw3_ets.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fw9_slx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fwa_ren.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fx4_fx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fx6_bpx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fxp_d38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fxv_643.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fxw_f10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fxz_fll.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fy1_na1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fy9_xcf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fyk_b98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzh_3bh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzk_3bk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzl_3fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzm_3go.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzn_d7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzr_3jz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3fzt_4jz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0b_t22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0c_ruf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0e_b49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0g_rum.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0u_mdy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0w_lgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0x_md7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g0y_p9a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g11_p9c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g15_hc6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1f_2om.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1h_h2u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1l_rf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1m_rf3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1o_rf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1r_fit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g1v_5fu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g3e_g3e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g3n_tc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g42_792.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g49_3g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4f_fpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4i_d71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4q_mch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4u_0cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4v_7cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4w_8cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g4y_9cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g52_cee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g53_lt1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g58_988.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g5e_q74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g5h_ytt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g5m_xm5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g6g_g6g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g6h_g6h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g6z_a7t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g70_a5t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g72_a6t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g75_b48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g76_cz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g7b_b47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g7e_b46.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g7w_mlr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g82_mi3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g86_t18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g8e_is1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g8i_ro7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g8o_30x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g90_j72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g93_pb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g9l_j67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3g9n_j88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gal_1gn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gam_mxx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gb2_g3b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gb9_a2f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gc4_aaq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gc5_2mq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gc9_b45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gch_oac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gd2_708.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gdx_4bd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ge7_afq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gen_b43.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gep_24h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3geq_pp2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gfe_p37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gfw_s22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ggc_h26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ggf_gvd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ggj_25h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ggs_2fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ghc_ghc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gi2_ghw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gjr_dze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gjw_gjw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gk1_32a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gk2_27a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gk4_53a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gkn_bih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gko_aza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gky_iph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3glz_1bd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gmd_2m3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gn0_dmo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gn7_3gn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gnv_xnz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gnw_xnc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3goi_loi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gok_p4o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gol_xnd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gph_oid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gqe_bcn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gql_gql.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gqy_dzg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gqz_gf7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gr2_gf4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gr4_dyy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3grj_g14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gs0_6bd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gs4_7bd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gsg_gf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gsm_vpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gsy_deh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gt3_brv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gt9_516.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gta_851.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gtc_gtc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gu8_3gu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gub_gub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gur_byg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gus_n11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gv5_adi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gv9_gv9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gvb_3gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gw5_72x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gwt_066.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gwx_epa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gxl_qig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gxo_mqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gyn_b42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gz9_d32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gzj_evs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3gzx_bnl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h03_ubp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h06_vbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0a_d30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0c_ps4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0f_pg5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0q_b37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0s_b38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0v_m2t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0w_n8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h0y_48b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h10_97b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h1v_tk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h2l_yak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h3c_p1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h3f_oxm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h3q_h13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h3r_14h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h3s_h15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h3t_16h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h4b_bru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h4v_dvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h59_h59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h5s_h5s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h5u_h5u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h61_enl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h63_nhc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h6k_33t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h6o_d8g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h7w_018.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h82_020.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h89_nsx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h8b_nsy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h8c_nsz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h98_b5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h9f_92m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h9k_ufp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h9o_9bd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3h9r_tak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ha6_2jz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hab_677.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hac_361.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hb4_e2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hc5_82x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hc6_088.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hc8_pd4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hcb_lt2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hcc_lt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hcf_lt5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hch_rsm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hcm_s45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hcp_fde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hd2_pe0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hdm_mmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hdn_gmg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hdz_pd6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hek_bd0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hem_d22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hf6_lx0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hf8_ml0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hfb_ml4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hfg_17r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hfj_dz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hfx_152.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hfz_mty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hhk_77z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hhm_kwt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hhu_819.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hhx_pyg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hig_brn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hio_c2x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hj8_4cl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hjq_mbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hk1_b64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hkt_2sd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hkv_3ab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hkw_ix6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hl5_9jz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hl7_i47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hl8_bbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hld_mja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hlg_lva.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hll_i45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hmm_855.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hmp_cx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hmv_hbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hnb_768.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hng_8st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hnh_ahq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ho0_dkd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ho2_n32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ho9_n3a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hod_zzh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hok_q80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hp9_cf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hpt_yet.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hq5_gkk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hqw_pf4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hqy_pf6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hqz_pf8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hr1_pf9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hrf_p47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hrr_hc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hsw_mcw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3huj_agh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hvi_619.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hvj_705.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hvk_719.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hwe_rks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hwg_qed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hxb_bd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hxc_bd6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hxd_bd7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hxe_bd8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hxf_bd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hxy_5al.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hy7_097.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hy9_098.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hyg_099.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hyx_auk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3hz5_z64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i0a_2ds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i0a_3et.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i0a_mcj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i0r_rt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i0s_rt7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i1y_33n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i28_34n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i4v_3ce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i4y_35c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i51_45c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i58_7na.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i5n_b2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i5u_5na.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i5z_z48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i60_e86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i64_dna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i65_jz8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i68_j4z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i6c_gia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i6m_g3x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i6o_gr6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i6r_j5z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i6z_g6x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i7g_732.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i7i_518.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i81_ebi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i8p_840.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i8r_dtv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i8u_18b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i8v_0mo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i97_8dr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3i9n_avw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ia6_unt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iad_15x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iak_ev1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ic0_b77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3idp_l1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iej_599.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ies_m24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ig6_438.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3igv_b80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ii5_831.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iiq_jza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iiu_pid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ijj_avr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ijj_en1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ik9_bob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ikd_j9z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ikg_j8z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3il5_b82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3il6_b83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ilo_ph2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ilz_b72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3imc_bz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3imd_fyq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ime_bz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3imj_ayi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3imr_iw1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ims_iw2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3imw_iw6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3imx_b84.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3in3_472.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3in7_ayq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3in8_fyi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3inh_569.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3inj_bxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3inq_x0j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3inv_c50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3inw_jzb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3inx_jzc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iny_7dg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3io7_1p5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iob_a4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ioc_a5d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iod_a6d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ioe_a7d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iof_ifs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iog_sdf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ioi_1gw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iok_1p6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ion_8h1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iop_8i1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ip0_hhr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iph_g11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ips_o90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ipu_o40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ipx_b86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ipy_b87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ir7_md1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iro_2cy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3irx_udr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3is9_ac7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3isj_a8d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3itz_p66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iu2_096.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iu7_fcd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iu8_t03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iu9_t07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iub_fg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iue_fg3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ivc_fg4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ivg_fg5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ivh_1li.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ivx_fg6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iw2_eko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iw4_lw4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iw6_pp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iw7_bog.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iw7_ipk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iw8_hiz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iwl_tce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iww_yze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3iwx_cpt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ix3_ohn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ix4_tx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ix8_tx3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ixp_834.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpn_g2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpo_g1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpp_g1m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpq_gbr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpr_g2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jps_gfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpt_gfc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpu_ty4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jpv_1dr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3js2_vm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jsi_wtc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jsu_ka5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jsw_jar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jsx_cc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jtk_x55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jut_gtq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jvh_hhv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jvr_agx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jvs_agy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jwq_via.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jww_ji4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jxw_lxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jy0_lyg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jy9_jzh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jya_lwg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jyj_jzi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3jzk_yin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k0v_dxi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k14_535.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k1o_poz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k1w_bfx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k1x_dbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k22_jzs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k23_jzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k2x_i5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k3b_l31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k3h_bye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k3j_f4c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k3l_dbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k3l_mck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k45_51p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k47_d09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k4f_q86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k56_is3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k5e_k5e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k5k_dxq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k5v_stj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k6l_2bb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k6p_5fb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k8o_229.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k8q_22a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k8s_z27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k8x_b89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k98_1rc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3k9w_4ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ka0_mk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kaa_psf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kab_4bl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kac_4bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kad_4c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kaf_4d9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kag_4d7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kah_4dh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kai_4fi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kb7_071.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kba_wow.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kbo_ndb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kbz_2t4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kc0_2t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kc1_2t6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kc3_mk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kce_4by.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kcf_jzo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kck_3kc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kcx_cql.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kcy_hqy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kds_nhx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kdt_7ha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kdu_nks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ke1_829.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ke8_eip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kec_3ke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ked_dab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kee_30b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kef_dma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kej_3ej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kek_3ek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kf4_b90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kf7_l9g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kfa_b91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kfc_61x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kfj_yen.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kfx_mcy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kfy_jzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kga_lx9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kgp_4az.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3khj_c64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3khv_4al.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki0_g9d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki1_g9f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki2_g9g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki3_g9h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki4_g9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki5_g9m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki6_g9l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ki7_g9i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kid_2bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kiv_aca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kjs_dq1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kjs_nap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kkm_gnp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kkt_0cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kku_b95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kkv_b99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kl6_443.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3klp_b81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3km4_22x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3km8_9di.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kmc_403.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kme_z59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kmg_538.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kmr_eqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kmz_eqo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ko0_tfp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3koh_oio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3koo_24d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kox_z98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3koy_z97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kpy_es2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kpz_zne.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqm_es3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqo_es4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqp_es5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqq_es6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqr_ope.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqs_ax7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqt_es7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqv_fan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqw_es9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kqy_es0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kr1_vgd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kr2_et2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3krj_krj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3krl_krl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3krq_3tr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kry_3kr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ksl_szh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ksq_z96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ksw_vnf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kt0_emn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kv2_nnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvi_fah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvj_1x5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvk_6x1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvl_7z5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvm_951.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvv_r2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvw_irb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvx_fmy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kvz_env.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kw1_enw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kw4_tic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kwf_b1q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kwj_23q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kwm_3gr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kwn_23z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kwy_t9t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kx1_kx1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kx3_140.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kxg_k6x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kxh_k66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kxm_k74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kxn_k8x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kxo_kxo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kxz_925.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kyt_hc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kzk_oln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3kzn_aor.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l08_zig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0e_g58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0f_cyc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0j_hc9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0k_6au.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0l_hc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0n_s5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0t_z94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l0v_724.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l13_jzw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l16_jzx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l17_jzy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l1b_635.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l1m_hqi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l1s_z92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l2u_elv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l30_dbw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l3a_625.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l3l_l3l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l3m_a92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l3n_lsw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l4t_bj1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l4u_dsk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l4v_ktl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l4x_nr3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l4y_nr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l54_lxx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l5p_428.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l5s_88x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l5t_956.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l5u_zec.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l7g_m44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l7k_c2g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l8p_0ce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l8s_bff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l8v_l8v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l8x_n4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l9h_emq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l9l_l9l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l9m_l9m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3l9n_l9n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3la3_2ft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lak_kr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lal_krv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lam_krp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lan_kbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lau_ofi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lbg_8tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lbj_ww8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lbk_k23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lbl_mi6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lbz_z89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lc3_iyx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lc4_lc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lc5_izx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lcd_bdy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lce_lce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lco_lc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ld4_8nx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ldq_3p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3le8_2b5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3le9_727.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lea_z93.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lff_z83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lfm_3dt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lfn_a27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lgg_cfe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lgp_50x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lhj_lhj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lhz_bmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lik_eeg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lil_eea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lin_e13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3liq_e14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lit_e15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3liv_e16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3liw_rup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lix_e17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lj2_iza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lj3_wye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ljg_eef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ljr_ggc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ljz_la3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lk1_emc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lk1_jke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lk9_tff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lka_m4s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lkh_lt6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ll5_ip8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lm0_ebd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lm1_lec.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lmp_cek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lmx_dhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ln0_52b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lp0_lp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lp1_lp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lp2_lp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lpb_nvb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lpf_z77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lpg_z78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lpt_723.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lpu_976.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lpu_p03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lq5_slq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lq8_88z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lqs_psz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ls8_ajz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lsw_4mp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lt5_blq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ltn_pdq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lu6_imx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lu7_ipx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lu8_iqx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lvp_pdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lvv_lbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lw0_ccx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lxg_z73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lxk_mi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ly2_z72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lyi_ocs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lz6_a0d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3lzb_iti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m02_2cf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m08_rar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m0w_p77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m11_aki.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m1o_cjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m1s_dw1.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 12 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m1z_bmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m2j_f5m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m2n_j74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m2w_l8i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m2x_bex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m35_m35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m3x_js7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m3z_3f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m42_hgf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m50_ebt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m51_yr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m5c_pa9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m5e_jdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m67_e36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m6f_bjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m6g_lo3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m8q_djz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m8r_hxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m8s_hxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m96_e38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3m98_e02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ma3_01i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mag_3ma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3max_llx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mb7_14i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mbl_lsg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mbm_717.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mct_3mc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mcy_zh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mdc_gtf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mdm_fjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mdr_gjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mdv_cl6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3me3_3sz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3me6_cge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mee_t27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mf5_hjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mfh_dtp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mfv_z70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mfw_b3u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mg3_ech.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mhj_m3f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mhl_j71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mhm_j75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mhw_abv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mj1_614.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mj2_mjg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mj5_grm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mjl_2ai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mjm_ncd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mjn_rnp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mjw_wyf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mjx_bit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mke_cb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mkn_dnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mkp_sgn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mks_c1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ml2_su0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ml8_ml8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ml9_ml9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mla_jjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mlb_ljz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mmx_kjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mna_dwh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mnp_dex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mnr_sd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mo2_e67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mo5_e72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3moo_vea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mow_b2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mpf_n2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mpm_5lk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mq4_z99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mqe_416.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mqf_20x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mrt_12e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mrv_16f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mrx_17s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms2_18s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms3_anl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms4_21n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms5_oga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms5_ree.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms7_22s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ms9_ms9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3msa_b3r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3msc_24s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mss_ms7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3msx_mgf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mt7_16o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mt8_17t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mt9_18o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mta_22o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mtb_23v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mtd_25e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mtf_a3f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mth_mpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mtl_fef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mu6_bxl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mv5_xfe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mvh_wfe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mvl_38p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mvm_39p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mvr_cm5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mvx_bhz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mvz_bhn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mw1_mih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mwi_b25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3my1_rfz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3my6_my6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3myg_eml.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3myq_e27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3mzb_bhr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n0n_p9b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n0t_opy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n1v_3n1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n1w_3n2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n2e_osa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n2p_ayx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n2r_xjh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n2u_d3x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n2v_jt5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n2y_tef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n31_fca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n33_aes.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n36_gla.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n3g_935.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n45_3n3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n45_zol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n46_3n5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n49_3n4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n59_3ds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n5h_go0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n5j_go1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n5p_xfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n5v_xfh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n5y_xfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n6k_bfh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n7a_fa1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n7o_n7o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n7r_n7r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n7s_3n6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n7s_3n7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n86_rjp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n87_n87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n8k_d1x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n8n_n88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n9r_td3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3n9s_td4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3na0_2dc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3na1_hcd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nal_dbk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nam_otk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nam_pty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nan_hz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nay_mp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nb5_r21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nbe_dld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nbk_pns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nbp_jgz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nbw_tr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nc2_quz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nc4_26o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nc6_piw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nc9_tr3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nca_tr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ncz_3nc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nd7_pny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ndm_3nd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3neo_g24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nf6_imv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nf7_ciw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nf8_cdq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nf9_cd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nfa_cbj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nfb_oae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nfr_ewq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhf_vvv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhj_a2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhk_vap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhl_ytr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhp_hgz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhr_rzw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhu_m42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhw_zxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nhy_a7b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nif_nif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nj1_pyv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nj4_afx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3njo_p2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3njq_njq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3njy_8xq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nko_nko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nkq_nkq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nkr_nkr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nlb_5be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nld_jss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nlt_3xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nlu_3xb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nlv_3xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nly_3xc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nly_h4b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nlz_3xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nm0_3xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nmq_7pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nn7_bxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nnu_edb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nnv_437.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nny_59r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nod_sci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nox_6a5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3npr_ps7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nq9_oca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nr9_nr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nri_dh7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nrm_nrm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ns1_pm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ns9_ns9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nsg_tam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nsq_chz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nt5_ise.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ntb_t1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nte_i3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ntg_d72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ntp_rzd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nty_5p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ntz_3tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nu0_3tu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nun_jmz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nup_3nu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nus_jnz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nuu_joz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nux_3nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nuy_jpz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nvz_i3a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nw2_mpw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nw5_lgx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nw6_lgw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nw7_lgv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nw9_637.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nwb_659.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nwe_662.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nww_3nw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nx7_nhk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nxo_d2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nxt_d2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nxv_d2f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nxx_d2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nxy_d2h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ny4_smx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ny6_v30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ny7_sxm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ny8_jrz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ny9_jsz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nya_jtz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nyx_tz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nz1_3ny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nz6_d2j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nz9_d2k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nzb_d2n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nzc_d2o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nzs_nzs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3nzu_nzu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o02_jn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o0g_3o0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o0j_3oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o0u_o47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o15_3nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o15_ifp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o1d_g72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o23_mqy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o2f_p54.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o2k_qrp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o2m_46a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o2n_mzx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o2x_3o2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o2y_plm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o3j_bb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o50_lje.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o51_ljf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o57_zg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o5r_fk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o5x_jzg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o64_786.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o6j_hqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o6o_94m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o73_o73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o76_gtb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o7u_o7u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o8a_o8a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o8g_o8g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o8h_o8h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o8i_m1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o95_01t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o96_iqo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o99_k13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9a_k14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9b_k2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9c_k20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9d_k19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9e_a60.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9f_k2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9g_f53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9h_k2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9i_a61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9j_rp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9k_ett.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9l_lpn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9m_bez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3o9v_10t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oad_lpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oag_lpq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oaw_oaw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oax_id3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oc0_b2q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ocb_xm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3occ_dih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ocg_ocg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3och_2mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ocw_3am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ocx_2am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ocz_sra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3odk_odk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oe4_610.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oe5_611.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oe8_itd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oel_dgl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oem_oem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ogq_ab1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ogt_fmv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ohl_ohl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oho_z79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oi7_oi7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oia_a31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oil_vz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ojf_imj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ojs_xjs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oju_ssj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3okh_okh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oki_oki.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oku_vz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ol5_saw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3olf_olf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ols_est.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3olt_acd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3olu_1ag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omc_2mr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omk_omk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omm_omm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omo_wv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omp_w14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omq_w23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3omu_ibd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oob_kdh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oof_oof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ook_ook.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oom_507.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oot_ssr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3op5_reb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3opm_lui.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oq1_3oq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oqf_s51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oqj_3cx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oqk_s52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3orn_3or.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oro_ags.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3os3_3os.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3os8_kn0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3osa_kn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3osh_oin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ot3_22k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ot8_mi5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3otq_mzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ouh_014.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oui_42z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ovm_mzc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ovr_5sp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ovv_1sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ovv_bud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ovz_o96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ow3_smy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owd_mey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owh_52x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owj_1el.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owk_18e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owl_19e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3own_3ox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owp_2sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3owx_xra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ox1_695.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ox2_79x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ox3_4x4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oxi_syy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oxt_3sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oy1_589.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oy3_xy3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oya_rlt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oyc_zzw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oyd_zzv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oye_zyy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oyf_zyp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oyg_zyo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oyh_zyn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oyl_zzx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oz0_3oz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3oz1_bmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozg_ssi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozj_bgv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozr_ozr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozs_ozs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozt_ozz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozu_x89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozv_ecn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozw_dgg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ozw_kkk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p0g_p0g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p0m_4sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p0p_nnf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p0q_nnl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p1f_3pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p2b_p2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p2v_doy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p3g_3p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p3r_3m1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p3s_3m2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p3t_3m3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p3u_3m4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p4w_dsf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p50_plc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p5k_p5k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p5r_fgg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6d_zgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6e_zgc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6f_fbz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6n_dso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6o_etg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6p_a6b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6t_sbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p6x_c3q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p76_p76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p78_p78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p79_p79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p7a_p7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p7b_p7b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p88_p88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p89_89p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p8h_p8h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p8n_l4t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p8o_l5t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p8p_ln6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p8x_zyd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3p9j_p9j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pa3_c70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pa4_c72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pa5_c73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pa9_pj7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pa9_pmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pah_xde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pax_3mb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pb8_ahn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pba_zxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pbb_pbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pbl_etq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pbz_f02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pcb_3hb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pce_3hp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pcf_fhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pch_chb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pci_ihb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pcj_ino.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pck_nno.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pcu_lx8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pcw_fbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pd4_a3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pd8_ha7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pd9_ha5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pdc_zyi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pdj_3pj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pdq_kc6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pe1_3ng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pe2_e1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pe6_zyh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pec_zyg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ped_zyf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3peq_3eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pfp_035.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pfp_036.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pgi_f41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pgl_rzx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pgq_gy3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3phe_c9a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3phj_dhk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pi5_3p5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pix_027.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3piz_03c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pj1_lhl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pj2_04k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pj3_04l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pj8_404.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pjc_pjc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pka_y02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pkc_y08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pkd_y10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pld_f90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pll_f06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3plz_470.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pm4_f5n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pml_1gc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pmu_f7l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pmy_41l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pn1_ivh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pn3_pn3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pne_8ax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pnf_8bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pnh_8cx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3po4_dds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3poo_s69.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pp0_03q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pp1_izg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ppk_fni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ppm_jg1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ppo_dck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pr2_7mn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pre_3re.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3prf_fp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pri_fp4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3prz_3rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ps1_zh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ps2_zh4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ps3_l53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ps6_3ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3psb_sm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3psy_rb9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ptg_932.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ptq_nfg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pup_os1.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 18 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 26 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pvg_k68.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pvu_qrw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pvw_qrx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pwd_cz0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pwh_zma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3px8_jp2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3px9_jp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pxk_pxk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pyb_a3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pyh_3yh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pyy_3yy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pz3_pz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pz4_3pz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3pze_cfk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q0t_lge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q0u_ll3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q0v_ll4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q0w_ll5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q1m_m4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q2f_oam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q2g_qgf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q2h_qhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q2z_d9a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q30_d61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q32_j2i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q3d_puy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q3k_d90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q3s_o8b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q3t_rx0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q43_d66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q44_d50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q4b_rx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q4c_rsw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q4u_ldn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q5h_rx6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q5r_kan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q5s_ach.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q6w_q6w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q6x_zz7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q6y_s47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q77_2hy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q7d_npx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q7j_fbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q8h_ao9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q92_xnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q96_0nf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q9c_q9c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q9e_sp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3q9k_fte.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qa2_xna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qaa_g04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qai_xnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qak_uka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qaq_qaq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qar_qar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qbf_jhg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qbj_nxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qbn_e9z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qc4_mp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qce_nxy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qch_nx2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qci_nx3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcj_nx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qck_nx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcl_nxv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcm_nxw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcq_3q0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcs_3q1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcx_3q2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qcy_3q3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qd0_3q4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qd3_3q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qd4_3q6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qe4_4cf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qel_qel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qem_qem.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qen_5bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qeo_llt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qf1_pze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qf9_nm8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qfv_nm7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgd_26s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qge_26f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgf_46f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgg_63f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgi_33f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgw_l7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgw_pqc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qgy_l7o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qh5_nx6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qi3_pdb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qih_fg7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qih_ni7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qio_qid.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qip_p4y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qiy_qi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qiz_qi2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qj0_qi3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qj5_022.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qj9_qj9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qjz_qjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qk0_qk0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qk5_qk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qkd_hi0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qkk_smh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qkl_smr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qkm_sm9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qlf_pd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qlr_qlr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qls_55v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qmo_ns4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qna_bio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qoa_3qo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qp0_ni8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qpg_3qp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qpj_n4i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qpn_pfk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qpo_pfr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qpp_pfw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qqp_s05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qqs_17c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qqs_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qqu_01p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qri_919.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qrk_9dp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qrm_nk7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qro_dtd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qro_nk9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qrs_nk8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qrt_x14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qs8_17d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qsa_ta7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qsb_743.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qt0_486.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qtf_05s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qti_3qt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qu8_3qu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3que_3ff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qup_lun.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qv6_qv6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qv7_qv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qv8_s62.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qvv_3qv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qx3_evp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qxx_8ac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qyk_ie2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qyl_7me.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qyo_q24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qyw_6pb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3qyz_z8b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r01_une.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r02_unm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r04_unq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r0f_ag7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r0i_c0k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r0t_fu9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r1n_05b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r21_d36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r22_d37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r30_cd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r33_6me.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r49_q8a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r4g_4so.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r4o_fu3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r4p_fu7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r54_fp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r57_n3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r58_nps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r59_3ao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r5m_mlo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r5q_fu1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r6c_17n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r6t_lu1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r7l_pal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r7o_m61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r7q_fav.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r7r_faz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r88_14f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r8a_hig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r8h_zom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r8i_xcx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r91_06h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3r92_06j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rad_nfx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ral_04z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ras_dcv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ras_fm5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rba_cod.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rcf_bs4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rci_m3i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rcj_3rc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rck_1fp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rcl_5ao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rd9_msy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rda_mio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rdb_5mz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rdd_ea4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rdp_nmf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3re4_to1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rey_xac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rfm_cff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rga_lsb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rgf_bax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rgt_ez4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rh4_ddg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rhk_m97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rhx_3rh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ric_cis.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rik_3ri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ril_3rk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rin_i2o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rix_923.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rji_6cf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rjw_ciq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rke_mzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rlb_vib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rlj_rlj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rll_rll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rm4_3rm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rm6_18z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rm8_rm8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rm9_613.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rme_rme.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rmf_20z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rn6_iga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ro4_lj9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ro5_lgh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ro7_tdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3roc_29a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rog_t3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3roy_22z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rpo_24z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rps_4b0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rpv_26z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rqj_y2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rqk_x2c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rqo_x2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rqp_x2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rr3_flr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rr4_hrd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rsv_3rs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rti_fmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rtp_34i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rts_klg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rtt_klh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rut_59g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ruu_37g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rv6_rva.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rv6_vae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rv7_rvb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rv8_rvc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rv9_rvd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rvf_034.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rvg_17p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rvh_hq2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rwb_4pl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rwp_abq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rwq_3rw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rx2_slo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rye_unr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ryz_ryz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rz1_rz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rz7_rz7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3rze_5eh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s04_ram.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s0k_03f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s0n_0bb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s1g_ite.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s1h_56z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s2a_2nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s2v_3hu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s3g_tlt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s3i_cq0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s3n_dlu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s41_s41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s42_mla.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s4f_pzr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s4j_unv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s4q_nk0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s7a_684.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s7b_nh5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s7l_591.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s7o_lbv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s7s_exm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s92_jq1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s9s_m0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s9t_e49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3s9z_i92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa0_nra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa3_23x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa4_f72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa6_f71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa7_55a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa8_k83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sa9_a68.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3saa_77f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sab_f78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sac_af8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sad_040.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sap_e2i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sax_e50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3say_oft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3saz_043.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sb0_i93.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sc1_3s1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3scs_glf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3scu_ce5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3scz_hpa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sd0_tsk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sd5_sd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sdf_ltc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sdg_3se.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sdv_911.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sdx_gcy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sec_pfu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sfc_s53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sff_0di.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sfh_1di.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sfi_3sf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sfk_d67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sgt_p09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sgv_2bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sgx_0fw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sgy_06w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sh0_sax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sh2_5dr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sh7_bb0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3she_i85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3shy_5fo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3shz_5co.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sie_5bo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sjf_jrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sjg_sdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sjt_5ab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sjx_qrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sk2_gri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ska_053.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3skc_br2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ske_054.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3skh_058.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3skk_4u7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sl4_jn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sl5_j25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sl6_jn8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sl8_jn7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3slh_gpj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sls_77d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sm0_aek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smi_qdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smj_fdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smk_cw7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sml_fw1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smm_fja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smn_fc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smq_tdu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3smr_np7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sms_rnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sn5_k2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sn7_540.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sni_546.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sor_o58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sos_o61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sp3_suc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sp5_cx7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sp7_03b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sp9_il2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3spf_b50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3spw_t7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sqp_3j8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sqq_99z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sqy_q11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sr4_tt8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sr5_q12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sr6_mte.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sr6_rmo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3srb_28s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3src_28n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3srq_q19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3srr_q20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3srs_m23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sru_q26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3srv_s19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3srw_q27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ssj_fnu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ssn_mvi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3st6_rve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3std_mq0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3str_3li.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3su9_epz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sv3_5si.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3svh_krg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3svj_4li.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3svp_jk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3svq_jk4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sw7_19k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sw8_5li.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3swi_upn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sww_kxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3swz_tok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sx0_sx0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3sx4_kxa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3szc_dcq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t03_3t0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t07_09c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t0l_1ct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t0m_2ct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t0t_i30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t11_3t1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t19_5ma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t1d_td1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t1l_mqt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t1m_dqt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t2d_p6f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t2v_kkj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t39_skm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t3m_rc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t3s_9pl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t3y_md6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t40_3rg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t42_3t4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t44_igp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4h_md5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4j_zip.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4k_emu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4l_zea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4o_wa2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4t_wa1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t4v_md3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t55_4rg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t5i_far.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t67_caq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t6i_nc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t6i_nc9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t6i_z82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t7m_udp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t7p_7sp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t7q_rb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t83_sg5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t8m_3t8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t8v_btj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t8x_t8x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t8x_uli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t9c_ihp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t9e_i7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3t9i_3t9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3taj_nbo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tam_m06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tbg_rtz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tc5_3t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tcp_ckj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tct_3mi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tcz_r2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3td8_d2r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tda_pn0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tdb_3tb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tdc_0eu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tdt_26p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3te7_te7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3teh_dah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tem_6a1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfj_thg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfn_2cj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfp_03l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfq_07m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfr_f3a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfs_fha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfu_pl8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tfv_2cn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tg6_0mm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tge_tge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tgg_0h3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tgm_3tg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3th8_th9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3th9_9y9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3thb_3ta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tib_lvo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tj2_tj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tjc_0tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tjd_6tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tjp_13k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tjs_d0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tk5_d1q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tk6_d46.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tkh_07s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tki_s25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tkm_gw0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tl1_jro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tl5_980.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tlb_dsz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tlc_7md.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tll_62d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tm0_b31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tmz_06x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tn8_f18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tod_xxb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tp0_fo5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tru_isj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tsk_qeg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tt0_07j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tt4_e1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tti_kbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ttj_jbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ttr_lqz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ttz_07n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tu1_07g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tu9_5mm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tub_fpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tuc_fpw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tud_fpx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tuh_tuh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tuw_pza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tv4_tv4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tv5_rcp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tv6_b0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tv7_07q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tv8_dgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tvc_e3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tvq_dqh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tvw_07h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3twd_gob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3twj_07r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tx9_3rn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3txo_07u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ty0_082.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ty3_ggg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tyl_axw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tym_08r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tyn_cxw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tyo_dxw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tyq_hi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tyv_hi3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tz3_b36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tz4_03h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tz7_aqb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tz8_aqm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tz9_aqu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tzb_aa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tzm_085.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tzs_phu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tzv_hex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3tzv_lsc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u03_488.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u0p_und.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u0x_gti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u18_y0x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u1y_03i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u2d_08b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u2k_087.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u2o_03u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u2x_aso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u2z_07t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u3h_03w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u3k_03v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u4h_c8r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u4i_cvr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u4o_08e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u4r_08f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u4s_08p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u4u_lnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u57_dh8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u5l_08k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u6a_18p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u6h_03x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u6i_044.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u7k_mdb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u7l_udb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u7m_fhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u7n_uhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8d_u8d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8f_fgm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8j_09o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8l_09q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8m_09r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8n_09s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8q_npu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u8w_09j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u9c_04g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u9f_clm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3u9n_09h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ua1_08y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ua8_08w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ua9_iwr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uag_uma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uan_a3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ud5_j1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udd_34m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ude_j1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udl_kli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udn_09b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udp_09d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udq_09e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udv_j1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3udy_09g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ue8_09m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ueq_otu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uf9_fst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ufl_508.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ufo_hw4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ufq_hw5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ufr_h5w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ufs_hw6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uft_hw7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ufw_hw0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ugc_046.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uh0_tsb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uh4_xav.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uhm_rfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ui7_c1l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uiv_308.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uix_q17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ujs_0v5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ujs_xsp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uk4_xxd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uli_1n3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3um5_cp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3um6_1cy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3umw_596.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3umx_q18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3unz_0bz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uo4_0c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uo5_0bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uo6_0by.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uod_0c3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uoh_0c4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uoj_0c5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uok_0c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uol_0c7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uon_qnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3up2_0c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3up7_0c9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3upe_0ca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uph_0c1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3upi_0c2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3upj_u03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3upq_zan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3upr_1kx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uqf_bk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uqg_b5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ur4_0bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ur5_dpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3urk_0cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3urq_qmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3usd_idl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3usf_hoz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3usf_plr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ut3_emj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3utc_0jx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3utd_0cj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uu1_14b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uuo_0cv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uuz_0cb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uv3_0cm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uv6_0ch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uv7_0cn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uvc_0d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uvp_048.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uwe_vjj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uwk_0df.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uwl_foz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uwm_0k2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uwo_0dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ux0_0dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uxd_0cu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uxe_465.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uxh_uxh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uxl_cfi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uxm_0dn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uyt_0ck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uza_t4g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uzc_t4e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uzx_aom.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uzx_aox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uzz_asd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3uzz_tes.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v01_3v0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v04_v04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v0l_2gw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v0m_5gw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v0n_4gw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v0q_bhe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v0r_0fu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v1m_hpk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v1r_jth.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v1s_0lh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v1v_gst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v1x_0fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v2y_ml5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v35_nti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v3m_0en.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v3q_tmy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v3v_myu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v3x_mtn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v49_pk0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v4a_pk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v5a_abu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v5j_0f2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v5l_0g1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v5q_0f4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v5u_olc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v5w_8pr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v66_d3a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v7t_0gx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v7w_zas.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v7x_d7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v7y_a3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v80_aoc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8d_0gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8n_5ci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8p_znb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8q_5n5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8r_5nb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8s_0hd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v8w_0g2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v9b_ihm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3v9t_17l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vad_0f1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vap_0fy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vbg_03m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vbq_0f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vby_0fr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vc4_0fs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3veh_0ga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vev_0h4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vey_0h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vf3_0gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vf6_0h6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vf8_0je.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vf9_477.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vfe_0hl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vgc_srb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vgn_fnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vgw_nvz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vha_vha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhc_vhc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhd_vhe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhe_42q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhh_vhh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhi_vhi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhk_bpk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhm_npk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhv_ld1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vhw_vhw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vi5_m4m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vi7_cbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vi8_13m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vid_4tt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vje_zga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vjh_j35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vji_j53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vjk_m51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vjl_w94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vjm_w61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vjs_10s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vjt_10r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vlj_ddj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vm6_ri2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vn2_tls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vn9_ank.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vng_fuu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vnj_psj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vnm_sdd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vo3_0kf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vp1_04a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vp2_bp0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vp3_bp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vp4_bp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vq5_mmj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vqe_fmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vqs_jt1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vqu_o22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vrt_ys2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vru_ys3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vrv_ysd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vrw_ys5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vrz_vrz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs0_vs0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs1_vsa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs2_vsb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs3_vse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs4_vsf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs5_vsg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vs6_vsh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vsj_2xp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vso_ek1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vsp_ek8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vsw_r31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vsx_r32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vt3_vdx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vt5_yi2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vt6_5yi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vt8_yi3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vt9_yi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vtb_tka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vtc_tk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vtd_tkd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vu8_mds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vuc_hhe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vuz_k15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vv0_kh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vv7_0b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vva_chw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vw6_im6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vw7_vpx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vw8_df6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vw9_hpj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vwj_db3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vwk_4gh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vyd_vyd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vye_vye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vyf_vyf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vzb_sqs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vzc_uul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3vzv_vzv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0a_ds5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0c_6ds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0g_w07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0h_w12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0i_o11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0j_t08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0t_hpu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0u_hpw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w0y_ds4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w10_ro9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w18_n13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1f_1o5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1l_hro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1m_rro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1n_iro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1p_ero.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1q_yro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1r_mro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1t_wro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1u_lro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w1x_xro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w22_2ro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w23_3ro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2c_n15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2j_qro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2k_kro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2l_vro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2m_zro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2n_rod.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2o_03p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2s_w2r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w2u_rou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w32_w32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w33_w19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w3j_c09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w3k_l07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w3l_rx8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w3o_roe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w4i_8lg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w4j_2ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w4k_3ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w54_rnb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w55_1fm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w5e_nvw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w5q_3kl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w5r_loa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w5t_lhp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w68_viv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w69_ltz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w6y_w6y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w70_w70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w72_w7b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w73_w73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w74_w74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w75_w75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w76_w76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7c_w7c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7d_w7d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7e_w7f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7g_w7g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7h_w7h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7i_w7i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7j_w7j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7k_w7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7l_w7l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7m_w7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7n_w7n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7o_w7o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7p_w7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7q_w7q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w7r_w7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w83_w83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w84_w8z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w85_w85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w86_w86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w87_w87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w88_w88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w9b_pe8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3w9h_p9d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wab_ddw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wav_dwv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3waw_dww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wax_dwx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3way_dwy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wb2_ygp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wc5_ddk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wc7_ef1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wcf_bh8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wch_8ph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wci_bh5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wcj_e5s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wcl_bh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wcm_er4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wd1_st7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wd4_a1l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wd4_qub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wd9_qpc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3weg_fps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wez_n8v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf0_6dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf1_6gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf2_ndj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf5_fz8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf6_fz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf7_fs9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf8_f76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wf9_fs7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wfa_edt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wff_wff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wfg_wfg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wg8_6as.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wgp_ed9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wgt_qsc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wgw_t2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wh0_o4b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wha_wha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3whw_rux.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 16 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wi2_p98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wi6_yrz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wig_chu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wik_lct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wil_lcd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wio_h3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wix_lc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wiy_lc6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wjw_u6m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk0_o7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk3_o7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk4_s0a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk5_s0c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk6_s0b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk7_s0d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk8_s0e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wk9_s0f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wka_s0g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wkb_s0i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wkc_s0j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wkd_s0k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wke_aub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wlu_lse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wmh_jja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wn4_d87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wqh_skk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wqq_ib3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wqr_lsx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wqs_kbk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ws8_x4c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ws9_x4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wsj_mk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wsp_w09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wt5_ya1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wt7_ya2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wth_im4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wtk_th4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wtm_n1y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wto_n2y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wtq_ys9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wv1_whh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wv2_wgg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wv3_wll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wvc_feg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wvc_zgp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wwr_3aj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wxc_c93.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wyc_nes.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wyj_h78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wyk_3kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wyl_3kb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wym_3k9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wyy_o17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wz6_ixz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wz7_ixy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wz8_ixv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wzd_lev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wzj_o43.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wzk_o23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wzo_zoe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3wzq_zof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3x31_41v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3x36_41w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3x44_pus.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zbx_6xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zc5_w9z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zc6_vfc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zcl_5tf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zcm_px3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zcv_n85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zcw_4a2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zdg_xrx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zdh_xrs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zdi_ugj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zdu_38r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zdw_ebs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zep_1nx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zg2_udo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zg3_udd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zgg_iug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zgz_84t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zh8_c58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zhs_td6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zht_td9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zhu_td8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zhv_tdw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zhx_fm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zhz_fm7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zi0_fm8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zi4_sfl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zj6_vm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zj7_c1k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zj8_lr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zk5_z18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zk6_h1i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zkn_wzv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zkp_erb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zku_hcv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zky_wt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zl2_bwg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zln_h0y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zlo_x8u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zlq_6t9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zlr_x0b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zls_92p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zlu_1ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zlw_mt8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zlx_5ez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zly_yso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zm4_22t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zm9_qmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zme_qc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zn0_fad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3znc_bz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zno_se5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3znp_se2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3znq_ss8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3znr_nu9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zns_nu7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zo1_sij.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zo2_15i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zo3_qni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zo4_qwi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zoi_m2w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zp4_tsa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zpq_xf5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zpr_3wc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zr7_or8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zra_orb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zrb_orc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zrk_zrk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zrl_zrl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zrm_zrm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zs4_1pr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsg_t75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsn_miv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zso_o2n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsq_o4n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsr_o3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsv_zsv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsw_zsw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsx_n44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsy_om3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zsz_om2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zt0_zt0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zt1_om1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zt2_zt2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zt3_zt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zt6_acx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zt6_mal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3ztx_ztx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zu4_zu4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zv6_4hb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zv7_nhg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zw3_zw3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zws_avq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zwt_kfz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxe_pgz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxg_0sm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxh_e41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxi_tya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxr_iq1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxt_acp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxv_mxi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zxz_krw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zyf_147.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zyh_g0s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/3zze_6xp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a06_a06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a07_az7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a0h_kap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a0r_dtb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a16_h34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a22_so4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a2j_as0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a4l_939.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a4o_664.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a4v_yfd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a4w_yfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a4x_jup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a50_dq6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a51_dq8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a55_p08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a5s_n7f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a5y_g7x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a6e_ase.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a6k_i4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a6l_p43.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a6s_gs9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a6v_iky.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a6w_5c1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7b_3w4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7b_3w5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7c_e46.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7g_12i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7i_a7i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7q_4mq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7t_5fw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7y_nhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a7z_ay9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a81_dxc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a8g_dmx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a8h_puw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a8v_2an.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a92_f9k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a97_zpc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9h_tvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9i_p9i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9k_tyl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9m_p9m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9n_a9n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9o_a9o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9r_ru5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9s_ru9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9t_a9t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4a9u_a9u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aa4_qc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aa5_nqb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aa7_r82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aac_aav.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aaw_r84.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4abu_ft1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4abv_ft2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4abw_42m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4abz_t1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ac0_miy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ac2_43f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ac3_r83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4acc_7yg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4acd_gr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4acf_46b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4acg_6lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ach_kdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ae3_aov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ael_4hn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4afe_ggy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4afj_sjj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4afz_tar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agl_p84.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agm_p86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agn_nxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ago_p74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agp_p51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agq_p96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agu_d15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4agw_ng7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ai8_dza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aiu_gc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aj1_aj1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aj2_52c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aj4_vab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajb_tap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajd_f04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajf_f03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajg_f07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajh_2b4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajj_88r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajj_88s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajl_88w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajn_88v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajo_88n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ajw_vwn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aky_4ll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4al1_48t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4al4_w7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alg_1gh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alh_a9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alk_e9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alu_79o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alv_r9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alw_hy7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4alx_izn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4am8_pao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ami_g90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4amj_cvd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aml_gyu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4an3_5y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4an9_2p7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anb_yqy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anm_wul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anp_3qi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ans_vgh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anu_em7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anv_751.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anw_o92.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4anx_534.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aof_7l0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aoi_4k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aoj_v4z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aot_gw8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ap7_f47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4app_n53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4apu_a2k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aq3_398.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aqc_88a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aqh_tb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aqk_i6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aql_txc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ara_c56.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4arb_c57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ark_m3k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4as7_6lx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4as9_4qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4asa_59c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4asb_8to.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ase_av9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4asf_62u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4asg_814.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ask_k0i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4asx_6oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4at3_lti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4at4_t6e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4at5_muj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4att_hnv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4au8_z3r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aua_4au.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4auj_hnw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aux_xtc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4av4_fvq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4av5_fyz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4avg_sl6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4avh_fk9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4avi_xns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4avj_j73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4avv_ghe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4avx_itp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aw0_mjf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aw1_21o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aw2_22e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aw3_myv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4aw5_30k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4awg_ci3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4awi_aq2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4awk_ci1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ax9_n5n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4axa_rkd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4axb_fp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4axf_4my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ayu_n8p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4az0_s61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4az3_s35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4az7_log.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4azc_ngw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4azm_t4b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4azr_a9m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b05_32d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b0b_54f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b0c_c9h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b0g_vek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b0i_kbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b0j_3mq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b1f_krh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b1i_a8p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b1j_a1r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b1r_itc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b2h_c3f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b2l_tr7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b33_1np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b35_4me.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b3a_tac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b3d_5mi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b4l_1pe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6c_b5u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6e_10l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6f_20l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6l_9zp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6o_3dq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6q_bz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b6s_2hn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b71_djl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b72_2fb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b73_4va.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b74_1lh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b76_pw1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b77_54m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b7d_qle.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b7p_9un.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b7t_cwt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b7z_q4q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b80_a36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b81_zn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b82_b3z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b83_b3v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b84_z5k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b85_b3w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b8l_a0p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b8u_ibk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b99_r4l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4b9d_ck7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bae_rwx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bal_hm6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bar_ikx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bb3_kka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bb4_32w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bb5_hd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bb6_hd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bbe_3o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bbf_o19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bbg_v02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bbm_tc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bbx_lkf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bbz_4oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bc5_5fx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bc7_1do.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bcd_tdv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bcf_t6q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bcg_t3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bch_t7z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bci_t3e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bcj_t9n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bcq_tjf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bda_vfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdb_odo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdc_odh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdd_z0o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bde_cws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdf_h3r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdg_p3j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdh_wvi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdi_hau.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdj_z2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdk_rqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bds_fpk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdt_huw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdy_cij.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bdz_19c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4be0_bf3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4be1_ci4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4be2_xz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bel_b3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bet_cdc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfp_swy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfs_zvs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bft_zvt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfu_zvu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfv_zvv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfw_zvw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfx_zvx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfy_zvy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bfz_zvz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bg1_ivl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bge_pyw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bgg_844.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bgi_i4i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bgk_rtk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bgm_dlt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bhf_mzt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bhg_c2t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bhi_ruj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bhn_bh9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bhw_01k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bhz_z0b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bi0_z0w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bi1_zo6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bi2_zo8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bib_ieo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bic_ie4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bid_ie8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bie_ie6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bis_8hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bky_82b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bkz_1ws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bli_gmk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4blj_70b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bm8_a6j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bmm_tu1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bn4_op2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bn5_sr7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bnf_pv4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bng_5pp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bnt_36e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bnu_9kq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bnv_q7u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bnx_o74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bny_36i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bnz_8m5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo0_fxe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo1_nkh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo2_36k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo3_u98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo4_36g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo5_wi4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo6_36p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo7_j2t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo8_34x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bo9_3x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bpm_lvj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bqj_xkl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bqp_vmy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bqr_ibh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bqs_k2q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bqw_qnm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bqy_fnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4br3_a4v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4br3_u85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4brx_kgw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bs0_6nt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bs4_a64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4btl_5gz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4btl_pe3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4btm_f8e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4btw_jw7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4btx_wf8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bty_jwf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bu7_25f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bu8_27f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bu9_08c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bua_91f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bud_29f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bue_jqf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4buf_f36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bui_w2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bus_32f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4but_31f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4buu_f38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4buv_16i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4buw_f33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bux_f35.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4buy_f37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bv5_5c3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bv7_bv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bvc_bv5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bvd_bu6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bvg_oad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bvh_ocz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bvn_p32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bvx_i3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bw1_s5b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bw2_uth.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bw3_9bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bw4_9b6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bwl_mn9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bwm_dct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bwm_doc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bx7_b4f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bxk_1iu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4by0_5ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4byi_fh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4byj_fh5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bzd_d6i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bzn_ugx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bzo_676.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4bzs_9x6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c0c_wvh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c0w_12p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c14_fd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c1g_mco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c1i_eh9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c1m_nih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c21_foc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c22_cvu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c27_26n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c28_tw5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c2p_x8z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c2v_yja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c35_nu3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c36_zo9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c37_z21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c38_vup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c3a_q16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c3f_7kw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4e_4t9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4f_7ce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4g_7pe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4g_7ro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4i_x20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4j_x21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4r_yo5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4t_grx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4x_w9m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4y_7wi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c4z_w9l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c52_x0d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c5a_ds0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c5d_x0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c5w_nm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c61_lmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c62_xww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c6l_fot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c6z_tle.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c70_tlj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c71_7rd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c72_tlg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c73_tlh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c7b_bvb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c7j_4yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c7k_dzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c7t_5ri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c8k_bmr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c8r_6yt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c9f_gq2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c9f_gq4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4c9x_vhs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ca4_kgm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ca6_3ef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cao_m46.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cap_ml6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4caq_m68.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4car_m87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4caw_p3u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cax_646.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cb5_93g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cb6_29r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cb7_41g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cbt_9f4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cby_kee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cc5_l5v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cc6_l5y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ccb_ofg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ccu_awf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cd0_awj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cd3_8e9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ce1_7fk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ce2_bo5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ce3_l4v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cec_2ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ced_9ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cee_b0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cef_d0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ceo_g0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ceq_qch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cer_vl4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ces_nfw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cf0_o5u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cf1_iy7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cf2_3gm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cf8_v7h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cf9_5ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfa_wop.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfc_7nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfd_s8y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfl_8dq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfs_hqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cft_m48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfu_2wc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfv_75x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfw_sq9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cfx_g6t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cg8_g8s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cg9_gqg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cga_qlw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cgd_8p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cgf_uj6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cgg_k5q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cgh_loz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cgi_nzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cho_u2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4chq_cwu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4chy_c5q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ci1_ef2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ci3_y70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ci4_y1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cib_7uz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cie_y7n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cif_jdx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cig_x0p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cik_xo3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4civ_48p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ciw_xh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cix_w4n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ciy_ndy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cj3_e4f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cj4_s3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cj5_4vw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cje_q31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjf_rvn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjk_h39.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjl_9pa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjp_4d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjq_vxo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjr_fym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cjs_l0y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cju_jns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ck3_k1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ck8_lfd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ck9_lft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cka_lfs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ckr_di1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cku_p2f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cky_nd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cl0_9py.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cl6_7sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4clb_83t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4clz_4ds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cmo_ypw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cmt_gwh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cmu_iv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cn1_m1f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cn6_n9s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cnh_3u9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cnp_9c4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cod_kv1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4coh_t9h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cp3_rbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cp5_eoi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cpe_luv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cpf_lh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cpi_lh4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cpp_adm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cq5_tca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cq6_t25.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cq7_whw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cq8_jbw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cq9_xbl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cqa_id6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cqe_cqe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cqg_ot5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cqj_efa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cqn_ila.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cr5_0tu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cr9_otw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cra_xj8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4crb_7p0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4crc_otm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4crd_otj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cre_mvn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4crg_j4x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4crl_c1i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cs4_axz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4csj_nn7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4css_cwx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cst_cwk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ct1_31s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctb_kvc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctc_j99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctp_2ik.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctr_s20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctu_s42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctv_7s7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cty_s5d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ctz_s7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cu0_s71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cup_zyb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cuq_5k3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cur_la7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cus_es1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cuu_y6m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cuz_aew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cv2_pt6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cv3_vt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cv8_3d7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cv9_w2k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cva_wbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cw6_xds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cwd_449.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cwn_6lv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cwq_w2d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cwr_haj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cws_g3r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cwt_ik9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cwv_hw8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cww_hw9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cxu_62y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cxw_6mk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cxx_640.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cxy_dgr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cyg_rrv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4cys_sv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d08_q2t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d09_788.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d0r_41i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d0s_9g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d0w_vvq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d0x_953.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d17_iup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d1a_i5h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d1s_bjg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d2p_6z7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d2s_dyk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d2t_3i7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d2v_45r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d2w_nf5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d30_eg8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d32_7f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d34_e2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d37_9hl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d38_l5z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d39_olw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3b_6j0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3i_1et.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3j_xfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3m_ivu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3n_sk6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3o_s97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d3t_rfq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d41_ja1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d43_9w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d46_j47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d4j_bki.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d4k_bke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d4l_bks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d4m_bkv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d4v_kb8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d5h_9rm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d6z_pk9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d76_j1j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d78_j9k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d7d_pkt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d7f_ixa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d7g_e6u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d7o_0gd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d8n_0hm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d8s_0hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d96_5pa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d97_dsn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d9e_lcs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d9m_0jo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4d9t_0jg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4da0_gng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4da5_0h7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4da6_ga2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4da8_bg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dae_6cr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dar_tbn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4daw_0h2.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 12 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dbn_0ja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dbs_0hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dbu_bt9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dbw_511.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dce_0jf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dcg_mg7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dch_4dc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dcx_l2d.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 4 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 7 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 18 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 29 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dcy_l2m.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 0 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 20 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 21 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 27 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ddh_ms0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ddk_0hn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ddl_0jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ddm_0ho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ddr_mmv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dea_nhi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4deb_nhj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ded_nhu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4deg_0jj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4deh_0jk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dei_0jl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4df4_0l3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4df8_0l4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfg_0jv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfj_0kl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfk_0l5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfl_0k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfm_0l6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfn_0k1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dfp_0l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dgg_i76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dgo_0jw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dgr_3lv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dh0_mr8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhf_0k6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhl_0k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhm_0kb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhn_0kc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dho_y09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhp_y07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhq_y06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhr_y04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhs_y03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dht_0kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dhu_0kh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4di5_1ga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4di5_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4di8_0gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dig_mu2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dij_blf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dit_0kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4djh_jdc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4djq_m86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4djr_0kj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4djv_0km.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4djw_0kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4djy_0kr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dk5_0ko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dk7_0ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dk8_0kt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dld_tzg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dlj_6rg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dlp_mse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dm6_ttb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dmn_0l9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dnj_ann.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4do4_djn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dob_grc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dpd_dhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dph_p65.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dq4_eic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4drj_rap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4drk_i63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4drn_0mc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dro_0md.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4drq_0os.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dsa_d1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dsc_a8s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dsy_0lo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dsz_dc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dt2_0lv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dtc_d5c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dtk_7li.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4duh_rli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4duk_bzs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dv8_0lx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dvi_2iw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dvr_0ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dw6_0mn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dx5_c14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dx5_dd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dx5_oct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dx7_dm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dxd_9pc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dy6_a22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dya_0mf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dyb_0mh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dyn_0mr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dyp_0ms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dz0_aen.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dz7_d02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dz9_id4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4dzy_wj1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e1g_lnl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e1k_0n5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e1m_tq2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e1n_tqx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e1z_0mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e20_0my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e26_734.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e28_9mz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e47_0n6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e4k_rrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e4m_0nh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e4n_0nl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e5d_0nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e5f_0n7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e5g_xi7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e5i_0n9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e5j_581.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e5w_0nt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e6d_0nu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e6q_0nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e73_0nr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e90_7rg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e91_0of.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e92_0og.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e96_0ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e99_p8s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4e9u_rwy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ea1_3rx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ea2_rwz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ea2_srt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ea3_0nn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ead_0np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eaw_0nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eb3_0o3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eb9_0o6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ebc_0oh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ebd_0oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ebv_0o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ebw_0pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ec0_7pq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4edy_9pq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4edz_0o5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ee0_0o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eeq_0ox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eev_l1x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ef6_i2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4efb_0ow.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4efe_0ov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4efk_0oc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4efs_e37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4efu_efu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eh9_0oq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ehe_ri8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ehg_ri9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ehr_0q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ehz_jak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ei4_0q2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ein_noh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eix_nim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eiy_ola.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ej4_ej4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ejh_0qa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ejn_0r4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ek1_cam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ek9_ep4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ekg_0qj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eki_0qk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ekl_0rf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4elt_0r5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4elu_0r6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4elv_0r7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4em7_0ra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4emr_mgp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4emv_0r9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4en4_gt0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4enh_fvx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4enx_z20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eny_j19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eo6_0s2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eo8_0s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eox_0s5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ep9_0rd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eph_0rk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4epl_jai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ept_0qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4epv_0qx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4epw_0qv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4epx_0qr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4epy_0qy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eq1_pe5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eqc_xr1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eqe_kaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eqg_a5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eqh_wsa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4equ_g6i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eqz_aw0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4er0_aw1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4er6_aw2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4er7_aw3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ere_0r2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4erf_0r3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4erk_olo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4esi_0rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eut_bx7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ew2_dxy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ew3_dxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ewh_t77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ewn_0vr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ewq_mwl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ews_0rp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ews_pge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ey2_0rm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eyb_0wo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eyf_pnk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eyj_n61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eyl_0rv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eym_0rx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4eyw_l0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ez5_0rs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ezj_0sc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ezk_0sd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ezl_0se.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f08_1rs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f0e_0ru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f0x_0or.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f1l_0ry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f1q_0rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f1s_f1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f2a_0sf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f2a_2ob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f2d_rb0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f2p_2el.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f45_dn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f46_dvn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f4b_l39.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f4d_chd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f4p_0sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f5y_c2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f63_0s7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f64_0s8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f65_0s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f6u_0sr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f6v_zym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f6w_0ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f6x_zyl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f70_0st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f7j_0su.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f7l_0so.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f7n_0sv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f7s_0sw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f7v_j1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f7w_pn4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f8b_gd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f8h_rke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f8z_bl2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f92_san.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f9b_0sy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f9c_0sx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4f9m_fcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fa2_sb0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fa3_0sl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fa6_0ta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fad_0tb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fal_0t0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fam_0sz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fap_ard.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fc0_0t2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fcb_0t7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fcd_0t6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fce_gp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fcf_tau.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fci_gpa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fcr_0tm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fdo_0t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fe6_0tq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4feq_0t8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fes_0t9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ff8_14s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fgc_pq0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fgg_0u5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fgh_0u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fgj_1pq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fgk_0tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fh2_0rn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fhh_0u3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fhi_0s4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fhj_0tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fhk_0u0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fia_0u9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fic_0ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fim_cel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fjy_fjy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fjz_4fj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fk3_325.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fk6_0uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fkj_11k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fkr_45k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fks_46k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fkt_48k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fkv_61k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fkw_62k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fl6_uwn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fl9_tmo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4flh_14k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fli_y16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fll_yz6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fm5_df0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fm7_0up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fm8_0uq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fnc_hmu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fnt_raf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fny_i3k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fnz_nzf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fob_0us.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4foc_0uu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fod_0uv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4for_flp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fp1_bfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fps_0ux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fqo_az3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fr1_0v2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fr3_0v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fr6_0v3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fr8_tng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fs3_0we.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fse_0va.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fsl_0vb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fsm_hk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fsq_hk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fsr_hkc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fst_hk4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fsu_hk5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fsy_hk7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ft0_hk9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ft5_h2k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ft7_h3k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fta_h5k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftc_h6k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fti_h7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftj_h8k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftk_h9k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftl_h0k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftm_1hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftn_2hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fto_3hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftq_4hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftr_5hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftt_6hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ftu_7hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fu7_1up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fu8_2up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fu9_675.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fub_4up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fuc_239.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fud_6up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fue_7up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fuf_8up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fug_9up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fuh_1u2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fuj_1u9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ful_0vu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fux_e75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fuy_ek2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv0_ek3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv1_ek4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv2_ek5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv3_ek6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv4_ek7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv5_ek9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv6_e57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv7_e94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv8_e63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fv9_e71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fw3_l52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fw5_l58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fw6_l59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fw7_l63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fwb_3kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fxa_aag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fxy_0w2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fyh_tr5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fyn_0ve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fyo_0vf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fz6_0vg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fz7_0vh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fzb_0vj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4fzj_0w1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g09_0vd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g0k_0vs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g0u_asw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g0v_mix.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g0w_ake.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g11_0w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g16_0vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g17_0vn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1d_0vk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1f_0wg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1n_nzt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1w_g1w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1x_tqu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1y_0vo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g1z_0vp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g20_484.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g28_0w8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2f_c07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2g_tdh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2h_0vq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2j_0wf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2l_0wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2o_tiy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2w_ni0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g2y_ni5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g3e_0wc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g3f_0wb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g3g_0wa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g3m_ai9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g44_tzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g45_mqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g46_tty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g47_tzf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g48_pzb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g55_vh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g5f_0jd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g5f_15n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g5i_db7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g5j_0wm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g6i_rs3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g6n_ek0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g6o_e28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g6w_pbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g74_uq5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g86_bnt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g8n_g8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g8r_96p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g8v_0ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g8y_0ft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g90_0g0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g95_oag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g9c_0wp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4g9p_cdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ga3_4ga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gae_fob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gav_uq2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gb1_0lp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gb2_0lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gb9_0wr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gca_2x9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gch_dmc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gcq_0jm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gd4_0ws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gdy_0x1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ge4_0ke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ge7_0k5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ge8_0wu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ge9_0l0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4geb_0ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gee_0wt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gev_umc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gfd_0yb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gfg_0xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gfn_suy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gfo_0x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gg5_0j3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gg7_0j8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gg9_0ww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gh0_eis.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gh1_0wx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gh2_hk0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gh3_0ev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gh6_luo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ghi_0x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gi1_16y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gi4_0ex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gi7_0jr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gih_0x5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gii_0x6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gim_psu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4giu_636.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4giy_0wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj2_0xh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj3_0xp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj5_0lr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj6_0ls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj7_0lt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj8_0lu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gj9_0m2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gja_0m3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gjb_0me.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gjc_0mj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gjd_0n0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gk3_l87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gk4_l90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gkm_683.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gkt_0o1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gl5_g29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4glb_xxh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4glx_0xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gm5_0x9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gm7_hci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gny_sds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gpj_0q1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gq0_qap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gq3_0ro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gq4_0rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gqi_m49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gql_r47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gqs_0xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gr0_r4b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gr3_r45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gr8_r4c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gr9_372.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4grb_0xg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4grk_ktr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4grq_avl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gru_dio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gs8_mgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gsf_mgh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gsu_dwz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gsy_0y5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gtm_7tm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gto_7to.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gtq_7tq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gtr_7tr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gts_7tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gu6_10n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gu9_4gu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gub_0y4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gue_qct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gui_qic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4guw_lp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4guy_klj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gv0_8me.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gv1_0xz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gv2_5me.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gv4_mej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gvf_ndg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gvm_lf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gvt_0sg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gw8_3ra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gxm_0wv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gxs_0ys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4gyz_d5m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h0z_amu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h1e_10j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h1j_0yh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h1m_0yj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h1y_0yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h2h_0xw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h2j_0yu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h2m_0yv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h2o_0yw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h2t_g5a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h2v_h2v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h30_0zd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h38_0yx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h3a_0yy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h3c_0yz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h3f_10o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h3g_10q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h3i_10v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h3j_10w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h42_11e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h49_l29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h4c_10d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h4d_10e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h4e_10g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h4m_494.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h4o_506.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h55_bdr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h58_10z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h5e_ipr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h5w_bet.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h6o_nee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h71_pxe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h76_10b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h7c_10h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h80_04t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h81_wj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h84_y38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h85_hri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h8i_11w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h96_14q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h97_53s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4h9g_14j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hai_i23.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hbm_0y7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hco_imw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hcq_gn1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hct_18r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hd8_pit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hda_stl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hdc_13y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hee_14r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hej_14d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4heu_15j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hev_axm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hf4_15h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hfn_ciy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hfr_14m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hge_15v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hgf_syn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hgl_0yo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hgs_15g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hhy_15r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hhz_15s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hib_16b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hiq_16v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hj2_lz6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hjl_15o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hjo_aq4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hju_16l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hjx_f2y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hkp_tkw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hky_fpm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hky_sfr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hl5_15w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hlc_t05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hld_16t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hle_17v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hlf_15z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hlg_20b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hlm_16s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hlw_17w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hm1_1on.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hm2_16m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hm3_pyj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hm4_16n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hm6_16q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hm8_16r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hmb_pzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hmh_f94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hmn_16j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hmt_nnv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hmu_wub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hn2_0ej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hnc_0ut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hnf_16w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hnx_g4p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hof_18h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hpj_1d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hpw_3ym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hpx_bzi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hra_ep6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hsg_ktd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hsj_6pc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hsl_3ha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ht2_v50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4htx_19f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hu1_v13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4huo_rs8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hup_19m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hur_aco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hus_vir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hv3_19l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hv7_19j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hva_4hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvb_19p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvc_hfg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvd_933.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvg_19q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvh_19r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvi_19s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvs_647.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hvx_qei.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hw2_19h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hw3_19g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hw7_64m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hwk_sfy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hwo_409.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hwp_x16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hws_1b3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hwt_1b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hww_x7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hx2_1ax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hx5_19v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hxl_1a9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hxm_1a8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hxs_1a3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hxw_1a0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hxx_1ay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hxz_19y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hy0_1aq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hy1_19x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hy4_1bg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyf_1ak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyh_1am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyi_1ao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hym_cjc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyp_1a1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hys_1bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyt_ce1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyt_obn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hyu_1bk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hz0_1av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hzm_1bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4hzt_0za.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i03_l88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i06_x8a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0d_1b7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0e_1b8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0f_1bf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0r_1b4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0s_1b5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0t_1b6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i0z_1bb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i10_1bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i1c_1be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i1r_lzu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i23_1c9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i2i_ap5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i2p_g73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i2q_1bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i32_1bv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i3p_1cw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i4b_1cv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i4e_1bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i4f_1br.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i4g_z8z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i4h_z9z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i56_1cz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i5c_c5i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i5h_g17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i5m_r78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i5p_1d1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i60_b1r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i6b_11g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i6f_1c7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i6h_1c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i6q_1dt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i6w_1co.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i7f_nve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i85_h50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i8n_1cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i8v_bhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i8w_g07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i8x_6p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i8z_g08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i91_tmh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9d_l4d.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 15 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 23 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9h_1e4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9i_1dy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9j_xp5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9n_1e5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9n_1e6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9u_1e7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4i9z_5ba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ia0_5bb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ia1_biv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ia9_ia9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iaq_2gm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ib4_erm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ib9_cat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibb_1dk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibc_12g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibd_1dl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibe_11y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibf_1d5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibg_1d6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibi_1d8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibj_1d9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibk_1de.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ibm_ir1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ic0_gde.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ict_1ed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4id7_1g0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4idt_t28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4idv_13v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ie1_1ec.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ie3_1ee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ie6_un9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ie7_rhn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ie9_pzx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ieh_1e9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4if7_hcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ifh_1ef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ifn_12o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ig0_1fg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ig5_mmz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4igh_1ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4igr_3za.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4igs_64i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ih5_12r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ih6_1ep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ih7_1er.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ihf_1f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ihg_ftt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ihl_1f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iic_ifm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iih_tcb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iix_1eg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iiy_1ei.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ij9_ptv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ijh_1ej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ijl_1ek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ijp_1eh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ijq_sv2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iju_1eo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ijv_1en.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ijw_1eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ikf_m76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ikp_4ik.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ikr_pvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iks_tfd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ikt_tfv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iku_shx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ilx_1ez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4imb_1es.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4imf_si3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4img_ngf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4imo_pwz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ims_12s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4imx_1ev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4in4_4id.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4inb_1f6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ipf_1f0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iph_1fj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ips_1g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ipw_1g7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iq6_iq6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iq7_1g9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iq9_1gb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iqi_cyt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iqk_iqk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iqt_1fo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iqw_1fq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ir3_1fk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ir4_ir4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ir5_ir5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ir6_ir6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ire_pc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4is0_1r4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4is9_ltf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4isa_gvr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ise_1fw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4isf_1fx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4isg_1fy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ish_1ge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4isi_1gg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4isk_1jy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4isu_ikm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ite_tey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4itf_tfy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ith_rcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iti_1hw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4itj_1hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4itx_in5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iu6_fz1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iu7_1gm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iue_aj4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iui_1gq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iv2_1gr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iv4_1gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iva_1j5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivc_1j6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivd_15t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivp_i51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivq_i43.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivr_n50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivw_1gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ivy_1gt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iw1_fud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iw6_1gu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iwd_1jc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iwo_1h4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iwq_1fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iwv_1j9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ixc_1jd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ixd_1hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ixg_ixg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ixh_q21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ixu_38i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ixv_xa1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iyg_1hu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4iz0_2bi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4izy_1j2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j03_fvs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j0p_1h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j0z_1h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j17_1hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j1c_1ho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j1e_1hm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j1p_1k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j1r_i5r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j21_aj6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j22_aj7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j2t_1ht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j36_1hr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j3d_1js.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j3e_nut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j3j_d3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j3l_aj5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j3m_aj8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j51_n75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j52_1j3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j53_1j4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j58_53z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j59_671.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j5a_67z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j5b_6b4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j5c_7i6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j5d_728.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j5e_7b7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j5h_1k4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j6i_1jv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j71_1jx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j74_i18.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j7d_i31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j7e_i29.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j7n_gtg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j7t_1jo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j7u_ytz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j7y_1jp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j8m_cj5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4j9z_1kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ja1_ngh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ja8_1k9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jaa_dle.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jai_xu2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jbo_wph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jbs_p52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jbx_sk7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jby_fsk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jc5_1k5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jch_1kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jck_1ll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jd4_jdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jd6_toy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jda_a9s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jdb_jdb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jdd_fsc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jds_1l4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jew_p00.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jfi_1kt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jfj_1ku.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jfk_jfk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jfl_1ky.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jfm_1kz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jgc_1rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jgd_4jg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jh0_1md.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jh6_fcn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jh7_1km.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jhq_b6f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jhz_1kv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ji9_1m3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jia_1k3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jib_1l6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jih_epr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jik_1ko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jin_1l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jit_3zf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jki_xpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jki_zd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jkv_1ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jkw_ipe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jl4_axy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jlc_su6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jlg_1l8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jlj_1nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jlk_1no.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jlm_1nn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jln_18v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jls_3ze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jmb_1lw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jmo_jaf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jms_1lx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jmt_1lz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jmu_1ml.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jmv_1ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jmz_1m2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jn0_1mj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jnc_1lf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jni_pzh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jnk_lac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jnk_zhk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jnm_1lj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4joa_3dk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jp4_az4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jp9_1m5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jpa_az6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jpc_1m6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jpg_1ox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jps_1lt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jq4_imn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jq7_kjq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jq8_kj8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jqa_id8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jqj_1lm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jqk_1ln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jr3_kjr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jr5_1ls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jrg_i09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jrv_kjv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4js3_js3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4js8_1pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsc_1oy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsf_qj4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsg_q10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsi_q05.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsk_qj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsm_qj7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsr_1nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jsx_17g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jt3_1ph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jt5_p2x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jt8_1nr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jt9_1ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jtr_izp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jts_jts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jtt_jtt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jtu_jtu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jub_tpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jv6_18f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jv7_1mn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jv8_1m1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jv9_1mo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jvb_1m0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jve_1mq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jvf_17x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jvj_1mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jvm_xdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jvn_yug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jvr_1mt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jwr_1my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jwx_1n4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jx7_1n6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jx8_ae6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jxf_631.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jxh_hrc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jxs_18u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jxv_1mu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jxw_1mw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jy0_1o9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyg_1ny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyh_jyh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyi_jyi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jym_kkn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyt_n4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyu_1ok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyv_1oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jyw_t57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jz0_t01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jz1_f4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jzd_1nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jze_1nk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jzf_1nl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jzi_n4c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4jzr_4jr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k0y_1oa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k11_0j9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k18_1ob.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k19_1od.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k1b_1oc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k26_sff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k2f_a08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k2g_1oq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k2m_o1g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k3k_sfk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k42_nwm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k43_1po.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k47_wmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k4e_k4e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k4f_k4f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k4g_1s0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k4j_1o8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k4q_06b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k55_h6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5f_q14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5g_q13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5i_1q7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5l_19n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5m_1ov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5n_1ou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5o_1ot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5p_1os.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5y_1q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k5z_1p7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k60_1p8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k69_1p9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k6i_9ra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k6z_1q3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k77_1q4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k7n_mct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k7o_ekz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k7q_zld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k7r_3pk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k7v_07v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k8a_k8a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k8b_1rr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9g_1q2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9t_1rd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9u_5aw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9v_6aw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9w_7aw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9x_8aw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4k9y_k9y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kab_4ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kao_kao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kb7_690.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kb8_1qn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kb8_1qo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kb9_g79.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kba_1qm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kbc_1qj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kbi_1c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kbk_1qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kbz_1qa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kc1_ws1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kc2_ws2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kc4_ws3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcg_1qc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kch_h38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kci_1qe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcj_h36.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kck_h45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcm_1qf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcn_5h3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcp_h44.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcs_5h4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kcx_1qk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kd7_9dr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ke6_1qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4keb_1qz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4keq_5pn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kf1_ht5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kfj_1r0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kfn_1qr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kfo_1qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kfp_1r7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kgj_idf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kgl_idj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4khm_1pv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ki7_1r2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kib_56d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kic_ppy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kii_rhl.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 13 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 15 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kij_kij.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kil_1r5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kin_1m8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kio_g5k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kio_g6k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kip_1r9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kiq_1ra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kiu_kiu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kiw_kiw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kju_1rh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kjv_1rk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kkh_1rq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kko_1re.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kkx_aq3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kkx_f6f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kkz_1rf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4klb_1rv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kmn_436.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kmp_gt6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kn2_lya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kn6_1rp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4knb_1ru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4knm_e1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4knr_1s8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4knx_1s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ko0_jlj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4koe_tr6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kp0_kpk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kp5_e1f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kp6_1s1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kp7_1uq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kp8_e1g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kpe_af5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kpf_1uv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kpx_1se.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kpz_1sf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kq2_1s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kqg_dmd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kql_1sg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kqq_vpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kqv_doo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kr8_dm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kra_cpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4krs_1sx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ks1_2h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ks2_1sj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ks3_1sl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ks4_1sn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ks5_1so.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ksg_920.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ksh_htt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ksp_1su.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ksq_1sw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ktc_1x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ktf_1tm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ktj_ktj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ktk_ktk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ktl_1cq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ktn_mju.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kup_1tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kuv_mb6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kuw_mb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kuy_mb4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kv0_mb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kv8_1wt.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 25 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kvd_1ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kvi_1sv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kvw_jf4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kw5_1w6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kwd_jf2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kwf_3ak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kwg_2ak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kwp_exx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kxl_6c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kxm_6ia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kxn_6k6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kxw_dx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kxy_1u0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ky2_1w3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ky4_04j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kyv_1q9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz0_1uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz3_1u1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz4_4a1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz5_1u3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz6_zb6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz7_1u5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kz8_1u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kza_nz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kzb_nz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kzc_1uk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4kzi_zj0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l02_1v2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l09_1ur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l0b_1ut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l0i_1uw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l0s_1uz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l0t_1v0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l0v_1v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l10_a63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l19_1ua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l1t_1wz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l1w_str.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l23_x6k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l2f_1v3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l2g_1v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l2k_1v8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l2o_1dd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l2x_yl2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l2y_xxk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l31_f08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l32_1vf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l33_f70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l34_1vg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l3p_1uh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l3q_926.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l42_5fi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l4m_1xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l4z_d5x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l50_d8x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l51_hsx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l52_1ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l53_1uo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l59_1vz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l5b_1ux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l6b_1vs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l6c_0bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l6g_cnl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l6q_1wu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l6s_1wq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l6z_1dc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l70_1v9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7b_1vv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7c_1vw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7d_1vx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7f_1v5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7h_1w1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7j_1w2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7l_1va.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7n_1vb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7o_1vd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7p_m95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7r_m00.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7s_g7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l7u_1vc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l8u_9az.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l8z_rl1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l90_rl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l9k_ehf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4l9q_9tp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4la6_la6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4la7_a1o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lae_1vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lag_1vn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lah_1vo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lap_1vt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lau_w8x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4laz_1ww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lb2_dm5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lb3_m15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lb4_1wx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lbr_4o9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lbs_4o8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lbu_1wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lce_kmt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lcf_1wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lcg_1wm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lch_1wn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lcw_1vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ldl_xqc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ldo_ale.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lek_1dn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4leq_1wk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lez_1sy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lfv_ys4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lga_a2o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lgb_1w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lge_1y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lgg_vgg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lgh_0jn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lgu_1yh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lh6_1x7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lh7_1x8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lhu_jls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4li5_1wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4li6_1xo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4li7_1xp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4li8_1xq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ljj_6ac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lko_1wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lkq_1xm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ll5_sk8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4llk_mew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lm1_7ze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lm2_8ze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lm3_9ze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lmn_eui.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lmt_cqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ln7_1zq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4loi_1yc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lok_1yd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4loy_6xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lp0_1ym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lpb_1yp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lph_yl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lqg_ctw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lrg_1xb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lrh_fol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ls0_b3b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ls1_3x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ls2_3xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ls7_1x9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lsa_bld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lsj_lsj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lsl_1yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lsn_1yr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lts_lts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4luf_2q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4luo_1dz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4luz_1xt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lv9_20j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lva_20m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lvb_20n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lvd_1eb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lvf_20p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lvg_20o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lw1_1xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwb_qj8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwc_1xu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwe_fj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwh_fj5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwi_fj6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwt_20q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwu_20u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lwv_20w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lww_lww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lxb_7r9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lxd_1xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ly1_20y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ly9_1yy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lyn_1yg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lys_2sj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lyw_21q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4lzj_22h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m0e_1yl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m0f_1yk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m0r_644.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m0y_m0y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m0z_m0z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m10_icd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m11_mxm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m14_qws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m1j_b0s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m2x_tmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3b_2b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3d_2h2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3e_2b3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3f_2d1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3g_2g1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3m_22n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m3q_24k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m49_22y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m4q_21a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m52_m52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5a_da2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5g_yh1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5h_yh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5i_yh6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5k_yh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5l_yh4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5n_yh7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5o_x48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m5u_20f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m6l_21v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m6p_20r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m6q_20t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m6u_ttn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m72_m72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m74_m74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m7b_28c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m7x_27q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m7y_2gh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m81_pnw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m82_ngb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m8e_29v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m8h_r4m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4m8l_5rp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ma7_p2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4man_1y1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mb9_28f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mbc_28g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mbi_26k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mbl_26l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mbs_mrv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mc1_526.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mc6_23k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mc9_23l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcb_21w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcc_21x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcd_22l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcp_28z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcq_29c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcr_29d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mcv_29k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4md6_24e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mdd_29m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mdk_u94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mdn_y30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mdq_28w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mds_23h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mdt_24g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4med_rtx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mep_24y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mes_26g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mf0_29z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mf1_29y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mf3_sxi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mfb_29t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mg7_27h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mgi_cmp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mgy_h07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mgz_hr6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mh0_hr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mh7_mh7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mha_4mh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mhw_0yn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mia_28l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mib_28m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mik_jil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mjo_2c1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mjp_27o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mjq_27r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mjr_0la.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mju_27s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mjv_27v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk0_29x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk1_27y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk2_28b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk5_28a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk7_28o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk8_28q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mk9_28r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mka_2ay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mkb_28v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mkc_4mk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mkt_1v6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mkt_28t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ml4_pye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mle_vo1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mlh_vo2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mlp_2cx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mmm_bp7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mne_573.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mnf_29l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mns_2ax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mnw_zbr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mnx_29n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mny_29o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mot_2b7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mpu_x2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mpv_2a4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mpw_2aj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mpx_2av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mq1_2c3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mq2_2c4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mq4_2d5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mq6_29w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqa_x00.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqf_2bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqp_2b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqq_2b6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqr_2b9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqs_ixo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqu_mg9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mqy_2cw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mr7_2bv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mr8_2bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mr9_2bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mre_2c9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mrf_2ck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mrg_24w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mrm_2by.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mro_mg0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mrw_mrw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mrz_2zv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ms1_381.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ms4_2c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msc_2zt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mse_2zu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msf_3hy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msg_2c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msh_2d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msk_2c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msl_2et.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msn_2zq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4msu_2eu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mt9_2d6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mta_2d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mtb_bzy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mti_2dx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mtw_2g7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mu3_ig2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mu4_iyp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mu7_2dy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mue_2dh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muf_2dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mug_2dk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muh_2dn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mui_2dq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muj_2du.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muk_2dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mul_2dw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mun_2dz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muu_218.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muw_2f4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mux_2e4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4muy_2e5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mv0_2e6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mv5_2e7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mv7_ppf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mvh_2f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mwo_2e2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mwx_zmr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mwy_lnv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mx1_1mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mx5_5mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mxc_dwf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4my6_3vh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4myd_164.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4mye_xmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4myq_19t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n00_2ex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n0s_dhc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n14_wr7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1b_2fs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1o_lsa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1p_wm1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1q_wm2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1r_wm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1s_wm4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1t_2gd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1u_2ge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n1z_n1z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n34_2f8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n3r_2gu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n4d_xx8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n4s_2h1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n4t_2gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n4v_2gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n4w_snt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n5g_k09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n65_aqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n6y_2hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n6z_2hw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n70_2hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n73_coh.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 5 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 24 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n7a_3ax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n7e_2jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n7u_2ja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n86_gbj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n8d_2ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n8e_2kv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n8q_fa0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n8r_k08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n8s_eac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n93_6m1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n96_6ni.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n97_2hu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n98_4fc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n99_2j1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9a_2j2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9b_2hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9c_2zm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9d_2hj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9e_2hl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9q_uq1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4n9s_8hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4na7_1t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4na8_1t6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4na9_1t7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nah_2vj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nak_pbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nal_h70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nan_2jm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nap_dtr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nat_2w5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nau_2w3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nb4_sh3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nc5_fsi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ncg_2kw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ncm_704.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nct_2k2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nda_niy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ne2_sh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nej_2k1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4neu_q1a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nev_2jr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nf5_2jj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nfi_jd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nfl_2jw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nfn_2kc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nfs_naj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ng6_ris.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ng9_2ke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nga_2kf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngm_jb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngn_j96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngp_j31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngq_j37.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngr_j21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngs_j34.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ngt_j42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nh9_2lc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nhk_pd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ni0_2p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nie_nbh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4njb_3op.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4njd_njd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4njg_hhs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4njk_2ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nk9_2k5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nka_2k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nkc_2hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nks_2m2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nkv_aer.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nkz_lzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nld_2n5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nmh_2kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nns_75d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nnt_76d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4no7_2n8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4np2_2l1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4np3_2l2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4np9_i3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4npv_0nk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4npw_0ny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nqn_y1z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nr4_2lk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nr5_2ll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nr6_2ln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nra_2lw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nrb_2lx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nrc_2ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ns0_pio.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nt0_3du.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nt3_zaw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ntj_azj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ntk_zsp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ntm_2k8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ntx_amr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nuc_435.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nud_nud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nue_nue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nus_2nk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvg_2n9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvh_2nb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvi_2nw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvj_2nx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvk_2ny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvl_2nz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvm_2o0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvn_2o1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvo_556.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nvq_2od.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nw5_2nr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nw6_2ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nw7_2o5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nwc_2qe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nwd_2qd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nwm_2p5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nx2_2lt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nx4_jpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nxo_2h7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nxr_ans.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nxs_2oz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ny4_2qh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ny9_2q4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nyf_4bi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nyi_2px.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nyj_2pz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nyv_15e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nyw_2o3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nyx_2o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nz2_2qj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nz9_1jt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nzb_nse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nzn_2ou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4nzo_2ov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o04_2q8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o05_2q9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o07_fgh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o09_2r6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o0a_2p9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o0b_2qa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o0v_2ol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o0x_2oq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o0y_2oo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o0z_2rm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o10_2qf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o12_2qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o13_2p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o16_1xc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o1l_ho4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o1y_nla.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o2a_2rr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o2p_11v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o33_tzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o3q_xg4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o44_2rs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o4g_2rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o4p_1c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o6e_2sh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o6l_2qk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o72_2r4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o77_2re.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7a_2rf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7b_2rj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7c_2rk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7e_2rn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7f_2rq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7u_ss7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o7u_thf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o8z_bbi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o91_ng2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o97_ntx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o9r_cy8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o9s_2ry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4o9v_nt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oa7_2xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oaa_tdg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oar_2s0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oas_2sw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oba_2tw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4obo_2qv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4obp_2qu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4obq_2qt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4obr_idr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4obz_2s4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc0_2r7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc1_2qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc2_2qq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc3_2qp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc4_2qn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc5_2qm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc6_2s1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oc7_2qo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oca_2qr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4occ_2tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ocz_2ru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4od0_2rv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4od9_2rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ode_2u0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4odf_2u1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oek_pea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oew_5io.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oex_5eo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og3_2s6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og4_2vk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og5_2s7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og6_2s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og7_2se.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og8_2sf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4og8_tbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ogb_2sr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ogn_2u5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ogt_2u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ogv_2u7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oha_hft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ohk_2te.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ohm_2tf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oho_2tg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ohp_2tj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ohu_2tk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oim_jus.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oir_rfv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oiv_xx9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oj8_2tq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ojb_198.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ojq_2sx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ojr_2sq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ojt_2wp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ok3_2sy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ok5_2t2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ok6_2t7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4okg_2sz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oks_2t9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4old_2uz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4olh_2to.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oli_2tt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ome_dgq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4omj_2tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4omk_sql.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4onc_40b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oni_p6l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oo9_2u8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4op1_2uw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4op2_2ux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4op3_2uy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4opn_zbf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4opp_11z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oq3_2v8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oq5_2uu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oq6_2uv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oql_f2u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oqm_fdu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oqn_edu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oqx_edv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4or2_fm9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4or5_yt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4or7_25u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4orm_2v6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4orv_xxc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4orx_peu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4osg_06u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ot5_481.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ot6_2v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4otg_2v9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oth_drn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4otj_ixp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4otq_2v2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4otr_2v3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ovf_2vg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ovg_2vf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ovh_2ve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ovl_1td.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ovz_p85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ow0_s88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4owm_3f0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4own_5rg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4owo_6f0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4owq_3m0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ows_4m0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4owu_5m0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oxk_1s5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oxn_2nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oxy_1tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oyr_1us.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4oys_1tt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p05_4ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p06_mux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p0n_1ir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p0n_1is.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p0w_1xh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p0x_1wo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p10_2b8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p1r_2kr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p2t_24q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p38_21t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p3h_25g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p3p_2cr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p44_2f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p45_2f9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4b_2g2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4c_25q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4d_2gr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4e_2g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4f_2gb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4i_2g5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p4j_2h9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p58_2f6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p5d_n6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p5q_q0b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p5z_q7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p68_mtx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p6c_res.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p6e_2fc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p6g_2fz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p6w_mof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p6x_hcy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p72_2nl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p73_gax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p74_2u9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p75_2nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8c_y22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8l_36c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8m_r58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8n_r57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8o_883.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8p_rg2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8t_r26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p8y_38c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p90_2k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p9w_r3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p9x_r3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4p9y_2ko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pax_nu1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pbs_2l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pbt_2lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pf3_hfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pf5_m3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pfd_2r2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pgl_sol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pgn_3io.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pgq_1fz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ph4_2ug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ph9_ibp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4phk_2ub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4phm_2ud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4phu_2yb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4phw_2w1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pio_avi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4piv_2w4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pjv_2yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pk5_pkj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pk6_pkl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pkr_2zl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pks_30h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pkt_30o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pku_30p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pkv_30r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ple_eph.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pm0_32v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pm1_esz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pme_cur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pmm_31v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pmp_31w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pms_31x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pmt_31y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pnc_7np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pni_kqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pnk_kzq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pnu_2vd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pnw_2vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pnz_2vh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4poh_2vr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4poj_2vp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pov_2vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pox_2w2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pp0_op1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pp3_2vz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pp5_2w0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pp7_2vx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pp9_2vt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ppa_2vu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ppb_2vv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ppc_2vw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pqn_2w6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pr4_2w8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pr8_urc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4prq_t3y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4prr_2w9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4prt_2wb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ps3_2wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ps7_2wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ps8_2wk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4psq_2wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ptc_2we.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pte_2wf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ptg_2wg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ptn_gxv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pul_2wu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4puu_2wr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4puw_2wq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4puz_cg9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pv0_cg4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pv5_cbw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pv7_cjp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pvg_2wt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pvx_ys1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pvy_jd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pwf_pwf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pwi_roa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pwj_30z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pwk_pwk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4px2_2wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4px3_2wx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4px5_2wz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4px6_2x6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pxk_lfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pxs_2y6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pxz_6ad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4py0_6at.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4py1_2yk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4py2_43e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4py4_xl2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pya_2x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pyl_tcw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pyq_2x1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pyv_2xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pzt_sop.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4pzy_2xr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q03_2xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q0a_4oa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q0n_2xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q0o_2xc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q18_2xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q19_2xl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1a_2xz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1b_2y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1c_2xm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1d_2y1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1e_2y7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1e_2y8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1f_2xn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1n_2y9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1p_2xt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q1r_2xu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q27_2xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q2f_2xw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q2v_0xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q2x_ggb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4c_i8p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4d_2yn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4m_2yl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4o_2ym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4p_2yo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4q_saq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4r_sqo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q4s_s98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q5v_2ze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q7b_2yz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q7n_2zo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8b_sxx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8e_0kx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8o_ckr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8s_pnr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8t_2yv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8u_2yw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8v_2yx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q8w_2yy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q9o_2zw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q9s_30g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4q9z_pzw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qa0_shh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qaa_kk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qab_kk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qac_kk3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qag_f95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qb8_1te.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qbj_2xq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qbk_3nz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qbx_30l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qbz_d80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qc0_xg1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qd3_5ae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qd6_30t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qdd_30q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qde_30s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qdp_arb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qdv_30u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qdw_lai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qe1_ruu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qe4_34v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qe8_31d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qeb_31g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qee_z6j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qeh_32o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qev_31o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qew_31p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qf7_c0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qf9_35k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qfc_31t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qfd_31r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qfr_32j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qg7_32k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qga_31z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qge_35o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qgf_32b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qgg_32c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qgh_32e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qhc_33v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qho_nkg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qhv_ixf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qim_a8t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qin_sg8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qj0_wwx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qj1_n09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qjc_ixe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qjp_v1f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qjw_wwo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qjz_33m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qk4_pik.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qkz_qzk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ql1_35q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ql8_jad.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qll_ctt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qm0_39k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmc_bso.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmm_35r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmo_34l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmq_34u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmt_h1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmu_ske.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmv_34w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qmw_ks1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qna_x11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qnq_1xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qo4_35s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qo7_36v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qo8_36u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qo9_627.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qoc_35t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qog_ml1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qox_dxr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qp2_36r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qp3_36q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qp4_36o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qp7_363.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qp8_362.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qp9_35x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qpa_35w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qpf_39l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qpp_36s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qqd_36x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qqe_37f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qqn_3bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qqu_39s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qr5_bnm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qr6_37v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qsi_ewz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qsj_eww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qsm_38k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qss_mb3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qsw_38t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qsx_38s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qt0_38q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qt1_3c9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qtb_38z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qte_390.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qvx_3cq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qw9_0g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qwa_0g8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qwb_yyy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qwd_3tt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qwe_ftd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qx4_3e2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qxi_i98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qxm_713.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qxo_1ye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qxs_wc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qye_3dl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qyf_3dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qyg_3dw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qyh_3dx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qyy_3g7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4qzu_rtl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r06_3e7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r0i_3km.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r1q_sst.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r1v_3e8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r1y_3eh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r3c_3gf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r3m_jr9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r4c_3hs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r4i_3hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r4o_3hw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r4q_3hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r4t_3j0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r59_3j3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r5g_3je.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r5m_4no.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r5t_r5t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r5v_r5v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r5x_r5x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r5y_3k3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r68_w31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r69_w13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r6a_hb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r6e_3jd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r6n_mbg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r7h_p31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r8y_3ko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r91_3kt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r92_3ku.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r95_3kw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r9j_3lj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r9r_3kx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4r9s_3ky.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ra4_3kz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ra5_3l0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rab_3l3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rac_3l4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rak_652.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ram_pnm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ran_3l6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4raq_3l8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rbl_3o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rc2_3o8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rc3_3oa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rc4_3ok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rc5_pl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rcd_3ll.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rce_3ln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rcf_3lo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rch_3lz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rcv_de2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rdd_3lu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4re9_3m9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4res_buf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rfc_3o1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rfm_3p6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rfw_3rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rfy_3ou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rfz_3ov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rg0_3p0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rg2_3oo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rgq_1gp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rhu_3qe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rhu_45t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rhx_3qf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rhy_3qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rio_3qx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4riu_3qr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4riw_anp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rj4_3qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rj5_3qy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rj6_3r0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rj7_3r1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rj8_3qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rk8_3rv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rka_3ry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rkx_3s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rkz_3s4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rl0_3s0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rl2_3s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rli_3sh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rll_e91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rlo_3t3.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 21 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rlp_72b.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 1 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rls_49c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rlt_fse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rlu_hcc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rlw_bun.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rmc_3sv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rmd_3sw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rme_3t2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rmg_3te.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rmi_3tk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rn0_l6g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rn1_l8g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rn2_l7g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rn6_15u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rnq_a4s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpk_3ua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpl_3uc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpn_pci.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpo_t6c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpq_3uh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpu_3ue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rpv_3ur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rqk_r1s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rql_sne.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rqv_r2s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rr4_3v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rrn_3uw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rro_3ux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rrq_a3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rrr_a3t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rrt_3v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rrx_lur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rsc_a3v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rse_a6v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rsk_u3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rss_4mg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rt2_n6t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rt3_c6t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rt7_p30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rup_h97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rut_lm8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rv6_rpb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rv8_i13.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rvk_3xk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rvm_3x7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rvr_3wq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rvt_3xm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rw7_3x6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rwk_66t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rwl_3zc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rwv_piz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rx5_3yo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rx7_3yv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rx8_3yx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rxa_3f2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ryc_3zk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ryg_3zj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ryi_pka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ryl_3zg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ryz_a5v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rz1_3zn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rzg_zhn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rzq_y7y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4rzt_40j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4s0t_40u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4s0v_suv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4s15_4d8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4s1g_43t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4s3d_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4s3f_43w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4sli_cnp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4std_bfs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tk0_32z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tkf_33c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tln_lno.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tmf_js2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tn2_33j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tn6_pfo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tor_iw8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tos_355.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tpk_3f9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tpm_35e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tpp_35d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tpt_35h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tpw_33r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tqb_34k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tqc_34j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tqh_es8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tqn_ul4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tqp_48r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tr9_38d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4trj_665.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tsq_hxg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tsq_pc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tsy_hxj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tte_36z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tth_24v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ttv_bc9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tu4_37n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tuh_38h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tun_mvh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tuv_cpz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tvj_09l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tvk_tjh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tvy_37r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tw6_37l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tw7_37k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tw8_37m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tw9_386.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4twc_37j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4twd_377.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4twn_b96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4two_37w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4twt_38a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tww_3a7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tx0_384.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tx6_38b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4txc_38g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4txe_38f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ty1_38w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ty6_39d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ty7_39f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ty8_3av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tya_3ae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyb_3b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyd_3eo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyh_39g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyj_0li.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyl_39o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyo_39x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tyt_s3c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tz2_39r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tz8_39u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tzk_641.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4tzt_468.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u01_39w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u0j_566.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u0k_744.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u16_3c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u2y_rzm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u2z_fmo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u31_mvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u3b_3bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u3d_3bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u41_3c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u43_3d8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u44_3d9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u45_3dc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u58_3c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5j_rxt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5l_3d6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5n_3d4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5o_3d5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5s_3d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5u_3d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u5v_rh2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u69_q07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u6a_3dn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u6c_q06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u6q_3cr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u6r_3e4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u6w_q08.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u70_q04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u71_q03.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u73_q02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u79_3el.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u7v_3en.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u7z_3ew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u80_3ex.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u81_3ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u84_15p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u8w_g10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u8z_3fe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u91_3f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u93_990.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4u96_lmt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uag_uag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uai_3gg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ual_3fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uau_xbp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uba_3g5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ubt_3g6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uc1_pp9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uc1_z0p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucc_zkw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucd_m81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uce_mzs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uco_d41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucr_jcf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucs_9mj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucs_iwh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uct_5u1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucu_8hc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ucv_i6g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ud9_fqi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ud9_tys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4udb_cv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4udw_n6l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uee_la9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uef_tje.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uez_lff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uf0_mmk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufd_s49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufe_3zd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uff_6v2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufg_d6j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufh_gif.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufi_agk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufj_if7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufk_ldu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufl_dzx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufu_2zi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufy_m3w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ufz_ia7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ug2_ngi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ug5_hem.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 39 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 41 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ug5_xfk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ug6_xfj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ug9_1ew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugc_1q6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uge_q15.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugh_4v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugi_sko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugj_q1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugk_7s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugl_s90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugn_h49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugt_ugt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugu_pqw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugw_hw1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ugy_exi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uh2_s84.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uh9_s85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uhi_vfv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ui3_06r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ui4_rjn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ui5_bj4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ui6_ecz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ui7_vt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ui8_iy5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uia_fh9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uib_gwx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uit_n1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uiv_xzb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uiw_h1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uix_tvu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uiy_5v2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uj1_nvx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uj2_nvv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uj9_s3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uja_4l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ujb_8bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4um1_09p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ump_5qm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4umq_b5s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4umr_qbb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4umt_47w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4umu_0v0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4umx_vvs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4umz_xjo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4unn_qzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4unp_txw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4unq_h6d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4unr_qze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uns_qz3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4upj_u04.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4upn_7ln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4upq_i5u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ups_6e5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uqh_25s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uqr_nrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ur9_oan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ura_lel.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4urk_a82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4urm_xam.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uru_6w2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4urv_umk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4urw_dxo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4urx_fk1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4urx_hxy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4us8_hbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4use_r09.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4usf_6ui.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4utr_gua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4utu_lry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4utv_fsl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4utw_rfw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4utx_3np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4utz_0l1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uu7_jo3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uu8_woc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uub_su8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uuh_t40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uv8_d69.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uv9_d70.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uva_d73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvb_d51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvc_d52.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvd_hrw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uve_ki5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvg_a0c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvh_uud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvi_kxu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvn_cdj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvo_5ww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvr_j5y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvu_u1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvv_w8l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvw_nyj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvx_h2w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uvy_sgw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uw1_92r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uw3_50g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uw4_4s0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uw6_vv7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwb_jvt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwc_4y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwf_eut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwg_rbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwh_jxm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwi_xmq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwj_7l5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwk_ujb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uwl_7a5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ux4_e9l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ux6_ywo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uxl_5p8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uxu_mlk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uy1_tjm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uye_9f9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uyg_73b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uyh_9s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uyn_y3m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uzd_qmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4uzh_jve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4v0i_j82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4v24_gyr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4v3v_s8f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4v3x_4e8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4v3y_hlw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4vgc_srd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w1o_3gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w4v_3h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w4w_3hj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w4x_3hn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w4y_3hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w5b_3h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w5c_3h6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w5c_3h7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w5s_3j1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w63_htb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w6e_3j5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w7p_3j7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w8d_3ja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w8e_3jb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w93_3l9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w9o_3jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w9p_3jr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w9q_3jp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w9s_3k1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w9x_3jw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4w9y_3k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wa9_axi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wag_3k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wbo_anw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wcu_3kq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wdt_wdt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wdu_wdu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wdw_wdw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wdx_wdx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4we1_3lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wet_wef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wev_suz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wey_eg6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wf4_wf4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wf6_407.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wh5_3qb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wh7_8h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wh9_3m8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4whq_3n9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4whr_3nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4whs_3n8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4whu_3ot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4whz_3nl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wi1_3o6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wiv_3p2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wk7_3pq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wkb_tdi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wke_3pu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wkh_cbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wki_3pw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wko_hce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wkp_3qa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wkv_3qk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wlb_3qq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wlk_3ql.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wml_ppc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wmr_865.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wn1_3sj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wn3_3r3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wnk_453.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wnm_3rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wno_3rf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wnp_3rj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wns_3rl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wnt_ajn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wnu_qdn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wnv_qi9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wo5_324.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4woh_4np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wot_3sg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wov_3sm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wp7_3sr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wpd_3sq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wpf_3sn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wpl_ura.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wpn_3st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wq3_3su.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wq6_3tq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wqj_36y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wqp_3sx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wr7_3tv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wr8_3tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wrb_3tw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wrh_yy1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wrh_yy2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wrs_3u1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ws2_6ua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ws4_5nu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ws6_wbu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ws7_5uc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ws8_tul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wsy_3u5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wt2_3ud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wt6_3u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wtc_cdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wtf_5gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wtg_6gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wtu_3ut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wua_3ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wup_3uf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wuq_3ug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wuy_3uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wvd_ivm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wvl_3us.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wvo_3uz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ww8_vd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wwn_3vc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wwo_3vd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wwp_3ve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wxf_plg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wxg_2bo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wxh_3vl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wxi_3vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wxr_3vz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wy3_3x5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wyo_3w2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wz8_3w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4wzc_1uc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x0m_3wa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x1g_3wf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x1g_3wg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x1r_pl0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x1y_loc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x21_3wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2a_3wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2f_3wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2g_3wk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2i_3x0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2j_3wn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2k_3wo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2p_3py.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x2u_tod.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x36_cht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x3c_tnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x3j_3wr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x3o_3y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x3p_3lx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x3r_686.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x3t_45e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x4l_3xg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x5p_3xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x5q_3xn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x5r_3xo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x5y_3xw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x5z_3xy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x60_3xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6e_42h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6f_3xu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6h_3xt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6i_3y1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6m_3y3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6n_3y5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6o_3y4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6p_3yu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6t_3y6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6x_s74.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x6y_s94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7h_3z2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7i_3ys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7j_3z1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7k_3z3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7l_3z4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7n_3z5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x7x_3zp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x86_cps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8c_3yz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8e_avj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8g_3z0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8s_3z7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8t_3z8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8u_3zb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4x8v_3z9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xad_3zw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xaq_40f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xas_40h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xb5_45d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xdg_3zu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xdh_3zv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xdl_40d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xdm_gdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xe0_40l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xew_40n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xg3_x3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xg4_x4g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xg6_x6g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xg7_x7g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xg8_x8g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xg9_x9g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xh6_hul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xhb_17y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xhk_3yr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xii_40v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xiq_40y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xir_40x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xit_40z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xj0_41b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xjj_41d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xjl_41f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xjm_41e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xjo_41o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xjo_plp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xjw_opx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xkb_de9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xkc_md9.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 15 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 28 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xkx_43k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xly_ecp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xm6_41r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xm7_41s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xm8_41t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xmb_41p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xmo_46g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xmt_dpp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xn9_bal.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xna_b3k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xnb_3fb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xnd_ht7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xnv_bur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xnw_2id.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xoy_dx4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xp0_42a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xp2_tt4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xqg_1ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xrj_620.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xry_si5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xrz_si6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xs2_42p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xsm_tlz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xt9_43v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xua_43c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xub_43d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xuc_43g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xud_43h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xue_43j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xuh_sfi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xui_2vc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xv1_904.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xv2_p06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xv3_p02.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xv9_1oo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xvd_wdv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xve_wds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xw2_sim.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xwa_43n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xwk_4c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xwy_43o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xx3_70x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xx4_70y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xx5_43r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xx9_rf4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xy2_490.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xy8_43u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xyf_44x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xyx_43z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xz4_456.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xzh_48i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xzk_ag2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4xzl_f49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y0p_te4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y0q_px9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y13_480.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y14_c0a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y15_482.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y29_cti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2a_1fs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2b_epk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2j_49g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2p_3c5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2q_49n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2r_49o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2s_49p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2t_49q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2u_49r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2v_4a5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2x_4a0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y2y_49z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y32_49f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y34_45z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y36_45l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y37_45j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y39_45m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3a_45o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3d_45n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3f_78b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3g_463.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3m_45y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3n_45v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3p_46s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3t_46h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3t_46j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3w_46q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y3x_46p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y41_46o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y43_46t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y44_46y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y46_4f2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y47_479.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4a_47g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4b_47h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4e_46r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4j_lnr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4t_46x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4u_46v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4w_46w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y4x_47q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y50_47s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y51_47a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y53_47b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y58_47l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y59_t21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5a_47m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5b_47p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5c_47v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5d_mt6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5e_47t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5g_47u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5h_519.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5k_489.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5m_47y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5n_487.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y5p_483.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y62_48e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y63_48o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y64_48c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y67_rc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y6d_48u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y6m_48q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y6p_r77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y6q_omr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y6r_rf7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y6s_48s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y71_48w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y72_lz9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y73_xpy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y79_4o6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y7a_987.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y7f_48x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y7g_upg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y7u_491.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y83_49b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y85_499.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y86_49d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y86_49e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y8d_49j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y8x_4gr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y8y_4d5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y8z_4ce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y93_746.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y9b_mks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y9e_mkt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4y9g_mku.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ya8_49w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yab_4cn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yad_4a7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yat_4a8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yax_4ae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yay_zd7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yb4_48y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ybj_4a9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ybm_4bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ybs_4bk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ybt_4bv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yc0_5of.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yc8_4b7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yc9_4c1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ycm_7bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ycn_7bl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ycu_krs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ycy_4ao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yd0_4ew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yd3_4aq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yd5_4av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yde_4c7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ydf_4b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ydg_g3g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ydm_4aj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ydn_2wn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yef_4cq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yff_4cv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yfi_4cw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yh3_y80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yh4_y81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yhj_an2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yht_4ef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yih_2o2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yil_4d3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yj2_4ed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjf_98b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjg_4dd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjh_96b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjo_4df.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjp_4dl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjq_4dk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjr_4dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjs_4dn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjt_4dq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yju_4do.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yjv_4dt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yk0_98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yk5_4dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ykt_4eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yl0_4dz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yl1_4u8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yl3_4u9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ylj_4e1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ylk_4e2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yll_4e3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ylu_r30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ylw_52y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yma_4e5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ymb_4e7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ymj_4ej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yml_4f0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ymq_zbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ynb_4eh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ync_4eg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ynd_4gq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yne_4ek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ynk_yw2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yo4_4ft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yo6_4gd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yo8_4ez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yog_4f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yoi_4f4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yoj_rfm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yp1_2ba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yp8_4gf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ypd_dkg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yps_4f6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ypw_4fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ypx_4fg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ypy_4f9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ypz_4fl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq0_4fm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq1_4fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq2_efy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq3_4g1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq4_4g3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq5_4g0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq6_4fx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq7_4g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq8_4fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yq9_4go.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqa_4gn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqb_4gm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqc_efw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqd_4gz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqg_4gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqh_4f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqi_4gx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqj_4gt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqk_4gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yql_4h4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqn_4h3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqo_4h1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqp_4h6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqq_4h7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqr_4hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqs_4h9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yqt_4h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yr7_a1b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yrz_a2b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ys1_4g7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ys7_4gk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yt6_4jy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yt7_4k1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ytc_4hw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ytf_4hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yth_467.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yti_vjk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ytq_tgd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yts_tgs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ytt_pud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ytu_ler.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yu2_4h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yur_4j7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yv5_pe4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yv5_svr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yvc_4kh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yve_4kk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yvf_xfa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yvx_gmr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yw6_g0p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yw7_4j0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yw9_1wd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ywa_4j9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ywb_oxd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yyl_4kn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yyz_4jx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yz7_9ar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yz9_4k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yzm_4k4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yzn_4k5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4yzu_4k6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z02_4k8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z0k_4ln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z0l_4la.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z1e_df5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z1f_h71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z1h_4kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z1k_4kb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z1n_4kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z1q_558.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z22_4kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2b_4lc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2g_m6v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2h_m6a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2i_m6b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2j_m6g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2k_m6e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z2l_m6f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z34_on7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z35_on9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z36_on3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z3k_4kl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z3v_4l6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z55_4lo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z6h_4l2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z6i_4l3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z7h_4l5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z7m_4l9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z8d_4lb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z93_4ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z9a_pms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z9b_b85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4z9l_880.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4za7_4lv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4za7_fzz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4za8_f5c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zaa_4m4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zab_4lw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zae_4m1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zaf_4lr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zau_yy3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zav_4ls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zbc_glc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zbf_4m7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zbi_4m6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zcw_4ng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ze0_vor.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ze1_x2n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ze3_tpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zea_imi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zeg_052.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zfc_gcz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zfi_4nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zfl_4nk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zg6_4ny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zg7_4o0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zg7_nkn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zg9_4o2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zga_4o3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zgk_4nx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zh8_4o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zha_4o5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhc_tc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhc_th.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhd_4oz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhd_4pu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhf_4ol.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhf_zcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhg_am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhk_a8v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhx_4o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhx_c1v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zhz_4p8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zi1_kb0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zi4_dvg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zij_sfq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zim_4ok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zjc_4ot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zjr_4p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zjt_4p6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zjw_4p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zk1_4p7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zk5_4p4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zk6_ntm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zkl_jb6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zl1_18x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zls_g61.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zly_4ru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zlz_4rv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zmg_4r5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zn9_obh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4znh_obc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zns_ofb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4znt_obb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4znu_4q9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4znv_4q7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4znw_obm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zof_59l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zoj_61l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zok_62l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zom_4q3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zon_4q1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zop_4q2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zp5_4qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zpg_4qf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zql_4qh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zqn_4qo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zqo_q67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zqp_kp3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zqt_4qp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zr5_rdf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zr6_4qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zru_ti9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zs0_4qv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zs2_flu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zs3_a4f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zsa_4ut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zsh_4xw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zsw_rw2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zte_4rl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztf_x2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztj_4rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztl_4s1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztm_4s2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztn_4s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztq_4rm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4ztr_4rj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zts_4rk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zu0_c5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zu6_oas.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zud_olm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zul_un1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zum_fks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zun_ss9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zuo_xs6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zup_5xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zuq_6xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zur_7xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zvi_4s4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zvk_et.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zvl_ao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zvv_gn0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zvz_4tf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zw1_4v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zw3_4s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zw5_4sa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zw6_4sy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zw7_4sz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zw8_4t2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zwi_62i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zx1_5l3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zx2_4te.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zx3_4tk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zx4_4tl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zx5_4tm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zx6_4u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zxx_4t0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zxy_4t1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zy3_k67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zy4_4t3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zy5_4t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyb_4sq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyc_4ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyf_4t4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyi_4th.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyr_9pg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyt_3y9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyu_3ya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyv_g71.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyw_g94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyx_3yb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyy_3yc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zyz_3yd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zz0_3ye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zz1_3yf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zz2_3yg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zz3_4dw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zzh_4to.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zzj_4tq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zzn_cq8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zzy_d7n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/4zzz_fsu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a09_jjd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a0a_jjs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a0b_jjx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a0c_jjv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a1g_ppk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a1g_s7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a1l_s2i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a2m_wx5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a2s_otf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a3u_r8j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a3x_qiv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a4c_xoj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a4e_7qq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a4l_zc3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a4q_y3l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a4t_ajg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a54_5pw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5i_xi1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5j_6yf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5n_8ws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5o_j5i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5p_jtf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5q_6xc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5r_np8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a5z_wjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a64_v4e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a6n_u7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7b_kmn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7c_5d4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7n_vao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7o_7wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7p_6z1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7q_kch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7s_s2x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a7w_35m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a80_9cj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a81_78j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a82_yej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a83_yd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a86_d7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a8e_xtk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a8x_iuy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a8y_vbm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5a8z_iul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aad_5gx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aae_7hd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aaf_nl4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aag_6f2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aal_8l8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aap_vny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aau_xbr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ab9_92o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aba_ul7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5abe_xqo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5abf_xrj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5abg_v0n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5abh_ywn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5abw_wqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5abz_z47.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5acc_ke9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ack_svq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ad2_etu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ad4_6m8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ad6_7m3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adj_m94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adm_9m9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adn_2sn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adq_a95.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adr_qs5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ads_qns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adt_1tc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5adz_kqs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ae1_b2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ae2_fyc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ae3_awb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ae8_vvx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ae9_oko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aee_nsq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aeh_8ir.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aen_dp8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aep_qup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aes_5b0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5af9_sjr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5afg_p07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5afv_jh5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5afy_wce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5afz_uet.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ag3_3eb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5agt_a2h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ah6_c7u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ah7_c7j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ah9_c7l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ahg_y4l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ai4_4vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ai9_k78.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aia_kwb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aik_awr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ais_cwc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aiv_m1w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aix_krx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ajv_8r2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ajw_s6l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ajx_fd9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ajy_87t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ajz_mjp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ak0_8v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ak2_85z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ak5_v2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ake_6n0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5akh_6nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aki_6nf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5akj_6n4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5akl_6n8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aks_r3x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5akt_r4g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5akv_g7g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aky_6nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5al0_r3s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5al1_gn5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5al2_o53.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5al3_tgw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5al5_jl9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5al8_d75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ald_fcw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ale_onr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alf_oe1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alg_r4n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alh_4ua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ali_q3b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alj_t5j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alk_wmr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alm_7gm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aln_5zm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alo_a0j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alp_qyd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alq_gzp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alr_8tm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5als_5dq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alt_9xz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alv_6tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alw_jqn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alx_dul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aly_b7h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5alz_xq9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5am0_lws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5am1_i5t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5am4_mvj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5am5_6nz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5am9_p6g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5amd_45i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ame_pw3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5amf_twl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5amn_dtq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5anq_5yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ant_rje.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5anu_58t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5anv_rgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5anw_9cq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aoi_rzh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aoj_y0v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aok_goh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aol_ufv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aom_fy8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ap2_pwu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ap3_au5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ap4_o38.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aph_vyi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5apj_76e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqg_zjb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqh_zvo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqj_q88.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqn_jg8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqp_1lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqq_bbw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqr_n8y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqs_1sq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqu_ux0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqv_kc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqw_5p7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5aqz_sgv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ar0_gb8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ar4_sb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ar5_iq7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ar7_sr8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ar8_xyw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5arf_i9h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5arg_h41.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5auu_lu2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5auy_mri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5av0_47x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5avi_4km.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5avl_4kq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5awa_m8d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5awb_m0a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5awc_m4d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5awd_idq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5awj_ysl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5awk_yse.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ax9_4kt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5axb_nrn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5axc_arj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5axd_rbv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5axp_4lk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5axq_4lp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ayg_4lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ayj_mua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ayt_l6y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5az5_mbl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b09_4mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b0x_hck.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b25_4qj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b2v_w06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b2x_w0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b2y_w10.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b41_ysv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b4k_6dt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b4l_6dw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b4o_6dq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b59_kto.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b5b_akx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b5f_6f3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b5g_6fx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b5o_wmm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b5p_wnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b7b_nuz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b7v_lwj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5b8d_6t4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bml_4tw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bms_4t6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bne_7p3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bnj_4tv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bnm_4vk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bnr_4vl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bns_4vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bo2_7p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bo3_7p2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bo9_csf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5boc_tsj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bod_ttj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5boj_4tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5boo_d65.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bot_4um.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5boy_4ue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bp0_fn1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bpa_4uf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bpc_f2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bpe_e22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bpp_a4z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bpy_4uq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bq0_4us.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bqg_4uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bqh_4uk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bqi_4ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bqx_4ur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5brn_4x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bry_4uy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bs4_4ux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bs8_mfx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bsk_4x7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bst_4uu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bsu_4uv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bsv_4uw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bt3_2lo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5btd_gfn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5btg_lfx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5btl_8mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bue_4v8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bui_4v9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5buj_4vb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bv6_35g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bvd_4vf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bve_4vg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bvf_4vj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bvk_4vc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bvn_4vd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bvo_4ve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bwb_4vv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bwz_xch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bx0_4w5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bx1_4xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bya_4wz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5byb_4wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5byy_4wg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5byz_4we.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzc_4wt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bze_68n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bze_6bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzf_4x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzg_4x6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzh_4x1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzi_4wu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzj_4wn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzk_4wp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzl_4wo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzm_4x8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzn_4xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzo_4xc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzp_4xg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzq_4xl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzr_4xm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzs_4xk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5bzt_4xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c0k_4wk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c0l_4wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c1l_da8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c1l_gdu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c1m_4vo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c1q_4yk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c1r_51n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c1w_4xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c24_4xo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c25_639.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c26_50h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c27_50j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c28_4xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c29_4xy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c2a_4y2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c2h_4px.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c37_4xn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c3a_urm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c3h_4xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c3k_4xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c4e_4ya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c4g_bqr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c5e_52m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c5p_0e0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c5q_g9w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c65_y01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c7a_4ye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c7b_4yd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c7c_4yc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c7d_4yf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c7n_bmf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c7v_pyc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c83_4yn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c84_4yl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c85_4yo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c87_4ys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c89_4yt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c8k_4yv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c8m_4yw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c8n_4yx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c8y_pn6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c9c_4z5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c9r_4yz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c9u_4z1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c9w_4z3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c9x_4z4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5c9z_4z2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ca0_lxl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ca1_nzo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cah_4za.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cak_4z9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cal_4z8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5can_4zb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cao_4zg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cap_4zh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5caq_4zj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cav_4zq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cb4_tiv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbb_4zf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbi_4zc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbj_4zd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbr_4zk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbs_e42.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbt_4zl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbu_4zm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbv_4zp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cbw_4zo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cc2_cka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cc3_4zu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cc5_ico.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cc6_4zv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cc9_ddf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccl_4zw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccm_4zx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccn_4zz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccq_502.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccr_4zt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccs_c4y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ccz_50c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cdm_54q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cdo_50m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cdo_53l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cdo_53m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ce1_50k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ce3_adp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ceh_50p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cei_50r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ceo_50d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cep_50e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ceq_50f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cew_6mw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cf4_50y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cf5_50w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cf6_50o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cf8_50v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cfb_sy9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cfw_53w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cg4_6uv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cga_kp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cgb_51c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cgc_51d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cgd_51e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cge_51f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cgj_51m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cgq_f9f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5chk_55r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ci7_51w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ci9_549.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cic_51r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ciy_3dr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cj6_51y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cjf_520.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cjm_4wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cjn_52f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cks_52l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cl0_u5p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5clp_42j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cna_mma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cnk_ggl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cnm_52q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5coi_55k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cok_52u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5con_52w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5coo_52z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cop_53f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5coq_tcu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5coy_swe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cp5_eb0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cp9_6o5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cpe_eb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cpf_53k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cph_evo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cpp_ado.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cpr_539.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cq3_53b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cq4_53c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cq7_53g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cq8_ac6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cqj_53q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cqt_eb3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cqu_jrj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cr7_5wo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5crz_eb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cs6_k82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cs8_eb8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5csh_54e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cso_ctn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5csv_gab.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5csx_54j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ct0_54p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ct3_54o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ct7_55j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ctb_57j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ctc_57k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cte_57l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ctl_eb9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cto_ntd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ctu_54x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ctw_55d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ctx_55g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cty_55h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cu0_54r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cu2_54g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cu4_54s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cu8_54t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cua_54u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cub_54v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cuc_54w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cue_54y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cug_tyz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cur_bm0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cvf_54z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cvj_n7i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cvu_55b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cx9_551.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cxa_55l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cxh_55m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cxr_byz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cxy_55t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cxz_55u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cy3_55y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5cy9_e0a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5czk_57z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d0c_e0b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d10_563.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d12_g97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d1s_56q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d1t_56r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d1u_56p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d21_56n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d24_l26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d25_56m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d26_l28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d29_5q1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d2b_56o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d2t_6vp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3h_57g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3j_l33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3l_57f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3n_l40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3p_57e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3r_57c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3s_579.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d3t_56y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d41_57n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d45_57p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d47_l19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d48_l96.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d4a_57q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d5a_bu1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d5q_57o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d69_57t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d6p_57u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d6q_57v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d6r_en0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d7a_58c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d7c_57w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d7d_57x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d7q_4i5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d7r_57y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d7x_xz8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d85_p1t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d9f_58g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d9k_584.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d9l_583.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5d9w_asc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5da3_58v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dab_58w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5daq_58d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dav_58j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5daw_58k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dax_58l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5db0_58p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5db1_58o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5db2_58r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5db3_58q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dbi_xog.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dbm_58n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dch_1yo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dcu_teg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dcz_59b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dd9_59k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dda_59m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ddb_59q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ddc_59v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ddd_59x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dde_5a0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ddf_5a1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ddl_5au.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5de1_59d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5del_d59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dew_59n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dey_59t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5df1_58x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5df9_59j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dfd_59e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dfp_59u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dg5_5b4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dg8_dz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgh_5a3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgi_5a2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgj_v64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgm_59z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgn_59y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgs_5a7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgu_5b7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dgw_5b5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dh3_5bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dh4_5av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dh5_5ay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhg_dgv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhh_dgw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhj_5e5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhp_5aq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhq_5ak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhr_5aj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhs_5ag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dht_5a9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhu_5a8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dhw_5bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5di1_5df.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dia_5e6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5diq_5b9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dit_5b8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5diu_5bg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5div_5bh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dj5_gr2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5djp_5bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5djr_5bk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5djv_5bl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dk4_5bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dk9_5cc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dkb_5c9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dkc_5bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dke_5c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dkg_5c7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dkh_5c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dkq_5d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dkr_5cz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dks_5c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dl1_5c2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dl4_5c4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dlt_5jk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dlw_5d5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dlw_nkp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dlx_5d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dlz_5d1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dmc_5dh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dmf_5dg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dnl_5dl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dnx_5ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dog_5dt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5doh_5du.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dp0_5es.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dpe_5h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dpf_5h9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dpx_l3b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dq1_5hl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dq2_5ho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dq4_5hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dq5_5hs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dqe_5e4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dqf_cze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dqi_dcp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dqq_66r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dr0_5gc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dr1_5gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dr3_5gl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dr4_5gq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dr7_5hj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dr8_5g1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5drb_5fj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5drc_5er.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dri_5eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5drp_5ep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5drq_5em.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5drr_5en.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5drt_5eg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dry_5ek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dsg_0hk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dsx_5ew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dsy_uhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dt2_5ev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dtj_5g8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dtm_5f4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dtq_5f6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dtr_5f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dtw_5f9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5du4_5ff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5du6_g59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5du8_5fk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5duc_g51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5due_5fy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5duf_g7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dug_5fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5duh_5ft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5duw_5go.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dw0_pls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dw1_5gd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dwg_5g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dwi_5g3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dwj_5j2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dwr_5h7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dwv_5j4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dx4_e0c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dx6_5gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dx7_5h6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dxh_5h2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dxk_5j1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dxm_5j0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dxq_5hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dxu_5h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dy4_5gn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dy5_5gr.sdf 120/333 Test #125: test_lssr_2 ......................................................................................... Passed 7.66 sec test 126 Start 126: test_lssr_3 126: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "lssrtest" "3" 126: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 126: Environment variables: 126: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 126: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 126: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dy7_5gt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dya_5gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dyb_5k2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dyc_5gu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dyt_5hb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dyu_mz0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dyw_5hf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dyy_5hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dz2_212.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dzh_5kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5dzi_5kf.sdf 126: Shuffling: attype.00.smi 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e0f_5j7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e0i_5j6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e0w_5ke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e0x_5kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e13_5j9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e14_5kb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e15_5ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e19_5k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e1c_5k8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e1e_5jg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e1g_t8g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e1s_5ja.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e23_l32.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e29_5jn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e29_rq3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e2m_v14.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e2o_5jm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e3d_5jl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e3g_5jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e41_aul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e4a_5jw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e4o_l57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e4t_mbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e6m_gap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e73_uo1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e74_5kh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e78_5kk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e7d_5kl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e7n_5kr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e7v_m7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e80_5kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e88_5kt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e8a_5ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e8z_5l4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e97_npo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9c_5kv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9c_uap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9i_f60.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9k_5kx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9l_6ai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9m_bae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9q_5ky.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9v_5l0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5e9x_5la.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ea3_5nk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ea4_5nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ea5_tm3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ea6_5np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ea7_5no.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eab_tbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eac_tbq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ead_5l9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eae_5l8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eaf_fqc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eag_5lu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eah_5lz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eai_e6a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eak_24r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eal_5ml.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eam_5mn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eap_5mo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ear_5mq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eau_fff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ebt_5n8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ebv_5lr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ebv_coa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ec4_5lq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ec8_5lp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ec9_5lo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ece_5n2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eci_jaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ecv_5m2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edc_5m7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ede_5m6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edg_5mg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edh_5mf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edi_5m9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edq_5n3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edr_5n4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eds_5mt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5edt_5mk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ee7_5mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eeg_s8m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eeh_p9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eg7_mgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ega_gk0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5egm_5ny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5egr_5nt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5egs_5nr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5egu_5nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eh0_5nw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eh9_hed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehg_5o0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehj_5k5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehl_0sq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eho_5o1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehp_5oa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehq_5o2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehr_5od.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehy_5o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ehz_5nz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ei2_5o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ei4_5nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ei6_5oq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ei8_5oe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eic_5j5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eie_tz2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eih_pz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ejm_td5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ek2_5pj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ek3_5pk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ek4_5pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ek9_5p4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ekn_n58.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eko_n17.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ekx_2cq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5elx_m2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ely_5pu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5elz_3v9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5em3_5q0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5em5_5q2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5em6_5q3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5em8_5q4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5emj_5qj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5emk_5qh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eml_5qk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5emm_5ql.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5en3_7lu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5en4_5q6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enb_5q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enc_5qd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ene_5q8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enf_5q7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eng_5qn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enh_5qb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eni_5qa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enj_5q9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enk_5qv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enm_5qu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enn_5qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eno_5qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enp_5qf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enq_5qe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5enr_mbx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ens_rhq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eob_5qq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eol_5qo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ep7_5qr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5epb_5qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5epr_5qy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eps_5qx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eq1_bea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eqe_5r8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eqg_5re.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eqh_5rf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eqi_5rh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eqp_5r9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eqy_5ra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5er4_5rl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5erm_210.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5es1_5rc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5esh_1yn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eso_isc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ess_tog.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5esu_toi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5et4_c3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etb_5ro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etd_5rn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eth_5rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etj_im5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etk_5ru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etl_5rv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etm_5rw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etn_5rx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eto_5ry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etp_5rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5etw_xnl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ety_k56.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eu1_5sw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eu9_5tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eub_5s7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5euq_5s8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ev8_3r9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ev9_5sb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eva_5s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5evd_vc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5evk_3c7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ew3_5t2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ew8_5sf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ew9_5vc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewa_9bz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewc_5sj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewd_5sh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewf_ctp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewh_5sg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewl_5sl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewm_5sm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ewv_5sn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eww_5sk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5exa_5so.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5exl_5ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5exm_5st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5exn_5su.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5exo_5sy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eyc_5sz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eyd_5t1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eym_5u5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5eyr_5t0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ezg_5t4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ezh_841.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ezv_c2z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ezx_5t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ezz_5t6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f00_5t8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f01_5t7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f03_5ta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f04_5tb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f08_5tg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f09_bc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f0c_5te.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f0f_5td.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f0h_5tc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f1h_5u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f1j_5to.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f1l_5u2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f1r_42o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f1z_5u3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f20_5u4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f25_5tu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f27_5tt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f2f_5u7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f2l_m2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f2p_5ty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f2s_5tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f2w_5up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f32_5v7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f36_5ue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f37_n5j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f38_5ug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f38_coz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f39_5ub.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3a_5u9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3c_5u8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3d_5uk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3e_5uo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3f_5us.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3g_5ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3t_5uh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f3z_5v5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f41_5v6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f4n_5uy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f5a_5v0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f5c_5v3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f5i_5v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f5z_5vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f6d_5vj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f6r_5vo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f6u_5vk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f6w_5vl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f6y_5vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f79_4v7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f8p_fij.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f8x_mrz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f91_5wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f94_3uo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f95_3up.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5f9e_5vs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fah_5vt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5faj_dcs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbe_5w5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbi_5wd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbk_tcr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbl_5w9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbn_5wf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbo_5wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbr_5w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbv_5w3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbw_5w8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fbx_5w4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fc4_5wk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fc4_5wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fc6_ap2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fck_5wc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fcw_5ya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fd2_5xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdl_5dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdo_5x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdp_5wr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdq_60a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdr_5x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdx_5x1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fdz_5x0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe1_12q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe2_5wv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe3_5wx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe4_5wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe5_2qc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe6_5wz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe7_5wu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe8_5wt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fe9_5ws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fem_60g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fep_41k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fez_9se.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ff2_5xb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ff3_prs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ff4_5zz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ffy_5xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fg5_5xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fg6_5xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fgk_5xg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fh6_5xm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fh7_5xl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fh8_5xk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fhm_5xp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fhn_5xo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fho_5xn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fhr_dnc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fi2_5xx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fi4_5xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fi6_5xy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fi7_5xz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fi8_5y5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fi9_nt8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fic_6e0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fiu_y3j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fiv_3tl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fj2_xeb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fjk_em6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fjv_epj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fkj_g0w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fky_2j4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fl0_71i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fl1_dv1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fl4_9fk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fl5_82e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fl6_y0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fnq_s0w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fnr_xms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fns_xyy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fnt_0pl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fnu_l6i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5foi_my8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5foq_gc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fp0_szc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fp3_3ji.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fp4_yc8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fp8_auy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fp9_4sv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fpb_ha6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fpf_5zi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fpg_q28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fpl_qay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fpm_iwt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fq9_c6s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqb_ok3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqd_lvy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqp_gqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqr_qhg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqs_j0w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqt_7qn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fqv_vqi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fri_zuq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5frm_wa5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5frn_quw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fro_xxj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fsi_8dg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fsk_h6y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fsl_uan.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fsm_n91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fsn_6q3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fso_s76.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ftg_nbr.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 27 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fto_ymx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ftq_u4w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fum_sof.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fun_gza.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fuq_dtc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fut_pq7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fv7_r3z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fve_2ho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fvo_d8h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fvp_wos.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fvr_h65.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fvy_w64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fvz_w67.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fw0_w30.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fwg_gpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fwr_3x8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fxq_gd5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fxr_8ln.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fxs_ozn.sdf 104: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 29 N 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fy8_n81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fyb_77j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fym_2hg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fyt_wqs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fyu_by4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fyv_oaa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fyy_n6y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fyz_nyk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fz0_dj6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fz1_w77.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fz6_mn1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fz7_wgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fz9_nuk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzb_ys6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzc_d8s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fze_h0x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzf_uun.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzg_7ia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzh_0ti.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzi_fig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzj_75k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzk_nrw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzl_uoi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzm_p60.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5fzn_fb2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g0s_eeh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g0t_s72.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g0u_9cv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g0v_jdd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g0w_9nu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g17_6dk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g1a_7h1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g1c_9rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g2n_6e2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g3j_e7t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g3m_9jh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g3n_x28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g3r_89a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g3u_itw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g3w_c65.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g42_4tu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g43_5im.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g44_swx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g45_a7w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g48_1fl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4c_cna.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4m_o82.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4n_o83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4o_o80.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4q_2hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4r_lf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g4s_8vi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g55_3qh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g5j_mf8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g5w_r8c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g65_2aq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g66_m5k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g69_m7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g6d_jht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g6h_m85.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g6o_8vj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g6q_tue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5g6s_rau.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ggk_mbe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ggl_6zc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ggz_6tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gh0_mzy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ghq_6u4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ghv_x5g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ghz_ced.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gi8_7dp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gi9_7an.sdf 121/333 Test #126: test_lssr_3 ......................................................................................... Passed 0.76 sec test 127 Start 127: test_lssr_4 127: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "lssrtest" "4" 127: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 127: Environment variables: 127: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 127: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 127: Test timeout computed to be: 1500 127: Shuffling: rings/tetrahedron.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gic_dlc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gid_vdp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gjd_6v3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gjf_6v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gjg_6v5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gmd_dp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gmn_949.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gmu_7lh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gmz_6xu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gn7_6xz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gn9_6y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gon_6zr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5grn_748.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gsw_5gi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gt4_2kb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gue_ggs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gwi_n2r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gwj_n2s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gym_wy5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5gz2_7bv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h08_7wl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h09_ooo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h0b_ooq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h0e_oos.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h0g_oou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h0h_oov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h13_lqa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h14_lqb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h17_lqe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h19_lqf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h1t_7ff.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h1u_6kt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h1v_7fu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h22_7ft.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h24_lqg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h25_lqh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h2z_7gf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h3q_7hf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h4i_7hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h4j_fkm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h73_7l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h7o_7q7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h85_5xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h8b_5y2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h8e_5y3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h8g_5y4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h8m_lmr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h8x_5xt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h9p_td2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5h9r_tgz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ha1_rne.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ha7_wy1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hbe_5y6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hbh_5y7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hbj_5y8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hbm_nvp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hco_601.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hct_61p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hcv_60r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hcx_60b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hcy_60d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hcz_60e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hd0_60y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hdb_5yb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hdu_60w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hdv_60v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hdx_60u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5he1_zs2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5he2_f0s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5he3_ff1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5he4_60t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5he5_60s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5he7_60x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hes_032.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hex_604.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hf2_u75.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hfu_603.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hg1_62c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hh5_60m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hh6_60n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hhw_60o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hi3_63o.sdf 127: Shuffling: rings/cubane.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hi4_63p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hi5_63q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hi7_62x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hib_63m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hic_63n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hid_b1e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hin_1kl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hio_61m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hip_61o.sdf 127: Shuffling: rings/cubane2.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hiq_60q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5his_60p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hjo_xd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hjr_5gf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hjs_668.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hk1_61w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hk2_61v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hki_6zj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hkm_61y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hko_62w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hl1_63j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hlm_b9f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hlp_65a.sdf 127: Shuffling: rings/octahedron.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hls_62g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hlw_62e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmh_62r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmi_62t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmk_62q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmw_lnw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmx_lnx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmy_lny.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hmz_lnz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hn0_lnn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hnb_62m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hng_62o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hnu_65d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ho7_63l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ho8_63e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hoa_63k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hpb_63w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hpw_3cj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hqe_64b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hqz_64j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hrn_65p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hrv_64c.sdf 127: Shuffling: rings/bridged1.mdl 127: Shuffling: rings/fullerene20.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hrw_64e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hrx_64f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hs3_ki3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hs6_j3z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hsr_63y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hss_64z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hss_650.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ht4_65j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ht5_65h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5htb_6l5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5htc_66m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5htc_66n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hti_66l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5htz_66j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hu0_66h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hu1_66f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hu9_66k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hui_65n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5huu_g6p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hvb_65o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hve_65q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hvk_sep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hvs_65v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hvt_nvs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hvu_65r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hvy_66x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hwe_mha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hx6_65u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hx8_66p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hy1_wdl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hyk_65w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hz5_65x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hz6_65y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hz8_65z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hz9_5m8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5hzn_66a.sdf 127: Shuffling: rings/fullerene60.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i02_pk2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i09_1ud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i0b_67u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i0l_h27.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i13_4p9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i1q_67c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i2e_67d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i2f_bs5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i2r_67a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i2z_v24.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i3m_67f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i3o_idv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i3p_68t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i3r_idk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i3t_bu2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i3v_68m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i40_67n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i43_67m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i46_67o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i4o_v28.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i4u_67t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i4v_67s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i5x_68c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i5z_68u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i6d_au6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i6u_68r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i7a_68q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i7h_68v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i7o_s16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i7r_68w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i7u_6aj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i7x_67b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i83_68y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i86_69a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i88_69g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i89_69b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i8a_69c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i8b_69f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i8g_69e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i8p_vq7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i94_69v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i96_69q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5i9i_5hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ia0_a5b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ia1_zzl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ia2_l66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ia5_gv0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iaw_t73.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibd_ggj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibe_69m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibf_69w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibg_69s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibh_69r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibi_69u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ibj_69t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ick_fez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5icm_f45.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5icp_69z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5id9_6a4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5idn_6a7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5idp_6a6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5idz_6bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ief_nbv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ieg_6a9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iev_r0n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iex_6af.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iez_6al.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5if2_6b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5if5_6b0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5if7_6ay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5if8_6ax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ifb_6av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ifc_6ar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ifd_6aq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ifu_gbm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ig6_6b3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ign_6b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ih5_aue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ih6_aug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ih7_omi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ih8_6bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ih9_6bf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iha_6be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ihc_6bb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ihh_6b5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ii1_6bl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iid_6bk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iin_dup.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iis_6cb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ij8_6bn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ijr_hrg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ik6_cre.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ik6_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ik9_fjp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ika_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ikb_kai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ikh_6bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iki_a9h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ikq_jms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ikt_tlf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ikw_6bu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5il8_6bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ili_3fx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ilj_btb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ilw_uri.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ily_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ime_6bz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5imp_jf1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5imx_cz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5in9_6c0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5io7_d12.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ioy_6c5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ioz_6c4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ip6_6c9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ipa_6c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ipc_6ce.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ipe_6cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ipj_6cd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ipz_6cc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5irq_6d7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5irq_7d6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iru_b9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5irv_6d8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5irw_d9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5is4_6ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5is5_6cy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5is6_pg4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5is7_dsh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5is8_6d1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5is9_6d3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isa_6d5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isb_6cx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isc_6d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isd_6cz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ise_6d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isf_6d4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isg_6d6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ish_765.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isj_6le.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5isk_6lz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ism_6dg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iso_992.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ita_6dc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iu2_6da.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iu6_7hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iu7_6dy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iu8_6dz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iua_6dx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iub_6dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iug_729.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iuh_34y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iui_45q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iuq_6e1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iut_32m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iv0_6e9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivc_6e7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ive_6e8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivf_6eb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivj_6ed.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivq_6eh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivr_6eg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivv_6en.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ivy_6eo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iw0_6ep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iw8_6ec.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iwc_6eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iwe_w81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iwf_lqt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iwg_iwx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ix0_6ez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ixk_6ew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ixs_6ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ixs_txd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ixy_gn2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iyy_r40.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5iz0_6f1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j0d_6f9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1a_6f8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1r_6fg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1u_p93.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1v_6fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1w_6fb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1x_ar5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j1y_p87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j25_47k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j3j_hl1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j3l_6fr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j3z_6fq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j42_6fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j47_6jj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j4h_1f1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j4k_6fz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j4v_6jh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j4y_6jg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j5f_6gh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j5g_6gf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j5h_6gk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j5i_6gm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j5s_6g3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j5t_6g2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j63_g3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j6d_6h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j6s_6ga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j79_6ge.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j7b_6gd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j7f_6gg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j7h_6gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j7q_6h2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j82_6gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j86_6gw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j89_6gx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j8l_tgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j8o_6gz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j8z_fc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j95_6hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j9f_83a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j9m_6hd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j9n_6h9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5j9o_6h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ja3_u06.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jah_6hq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jal_6ho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jan_6hp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jao_6hx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jap_6hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jar_6hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jas_6hw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jat_6hr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jau_6hu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jaz_lc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jbi_6j8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jc1_6jb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jcb_nv4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jcm_isd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jct_6jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jcu_gvx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jd7_6jr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jdg_mys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jeb_6js.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jf2_sf7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jf3_sf5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jf4_6jt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jf5_7jt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jf7_6ju.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfo_6ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfp_6kk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfr_6kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfs_6k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfv_6k1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfw_6k2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jfx_6k4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jg0_uc9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jg1_6kr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jgd_6kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jgm_810.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jgo_6jx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jgq_6jy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jha_6k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jhb_6k5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jhh_ra0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jhk_6k8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jhu_6ko.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ji6_6kn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jib_oia.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jic_n7e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jid_8pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jix_6j7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jiz_6fw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jjr_68e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jjs_6l2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jkg_6lf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jlj_6l8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jm5_6lg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jmn_ete.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jmp_lc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jmw_l50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jmx_dz5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jmy_6ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jn9_ezl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jna_tor.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jnc_6lh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jnl_l54.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jnw_6lj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jo0_l56.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jo1_6lm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jo3_6lk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jog_6lt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5joh_6m3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5joy_6lw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jq7_t0r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jr3_4mu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jrq_6n9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jrs_6mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5js3_6mg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jsg_6p9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jsj_6pd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jsm_6nb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jsq_6ms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jss_6ng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jsv_6mq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jsw_6mm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jt0_xdx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jt2_6nc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jt5_6nk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jt6_6n1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jt7_6n2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jt9_7af.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jun_6nu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jur_6ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5juw_6nr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5juz_yl4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jv0_yl5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jv1_yl6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jv2_6o3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jvd_6nl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jvi_6qc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jwm_6on.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jxn_6nn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jxq_6ok.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jy3_6ox.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jyp_zbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jyy_6py.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jz9_6or.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jzb_6ot.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jzn_gui.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5jzs_fgz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k00_6pv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k01_6ow.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k03_6p4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k05_6p5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0b_6ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0e_6oz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0f_6p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0g_6pm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0i_6pw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0j_6p2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0k_6q1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0m_6pu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0n_6p0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0s_0ou.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0t_415.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k0x_k0x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k13_6q7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k14_ib1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k1i_6pt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k1v_6px.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k32_6q2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k3n_6q6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k3y_6q4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k4i_6qb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k4l_6qn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k51_6qd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k5e_6qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k5n_6qh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k6e_6qp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k6j_6qq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k72_6qy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k74_6qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k75_6qx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k76_6r1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k7g_6r0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k7i_6qz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k7k_6rj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8n_6r6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8o_6r7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8p_6r8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8v_6re.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8w_gjv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8x_6zh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k8x_dxe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k9c_mlj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k9d_ce9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5k9r_6rc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kae_6rf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kao_g43.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kap_6rh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kb3_4ct.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kbq_ipv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kbr_ipw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kby_6rl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kbz_3b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcc_ob1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcd_ob2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kce_ob3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcf_ob5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcp_pfb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kct_ob7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcv_6s1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcw_ob9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kcx_6s3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kde_6rt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kdf_6ru.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kdh_6rx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kdq_koh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kdr_yt5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ke0_6s9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ke2_6s4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ke3_6s5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kfr_stp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kh3_6u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kh5_6tc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kh7_6t7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kh9_6t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5khm_xnh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5khp_7k9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5khx_6te.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kir_rcx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kit_6ta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kj2_6tf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kjf_etf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kjk_6t1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kjm_6tm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kjn_6tl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kjt_wca.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kju_6to.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kk4_44e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kkc_6v0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kkn_6u3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kks_6u1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kkt_6u2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kky_6ud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kly_6ur.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5km4_iu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5km6_6us.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5km8_l8p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kma_777.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmb_6ut.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmi_6ue.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmj_6uf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmk_6ug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kml_6uh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmm_6uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmn_6uk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kmo_6um.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knj_6ux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knp_6w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knq_6w8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knr_3l5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kns_3l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knt_6wb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knu_6wa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knv_6w9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5knx_6wc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kny_ypg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ko1_6uy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kok_s9t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5koq_6vr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kos_6vs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kot_6vu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kp4_6vw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kpn_6wx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kpo_6wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kpp_6wz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kpq_6x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kpr_pau.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kq5_6vt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kqd_pkz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kqg_6vx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kql_6vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kr1_017.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kr7_6x9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5krh_6wn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kri_6wm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5krj_6wp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5krk_6wq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kro_6ww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ksx_7am.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ktp_itn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kts_ciz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ktu_6xb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ktw_6xg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ktx_6xh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ku8_6xk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ku9_6xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kuk_dmu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kup_6xl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kv8_6y6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kv9_i57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kwh_6xt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kww_6ya.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kx7_6yd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kx8_6ye.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kxa_6y7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kya_6y4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kyj_6y8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kyv_slu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kz0_6yl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kz7_6z2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kz8_6z5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kzd_rcj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kzi_6yn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5kzq_6ys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l01_6z4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l03_6zb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l0b_6zm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l0e_6zn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l0k_6zo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l0n_6za.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l11_rjw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l13_6ze.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l1j_6og.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l1p_7pt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l1q_7df.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l1w_7pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2j_70e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2k_6ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2m_6zy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2n_6zu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2s_6zv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2t_6zz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2y_70d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l2z_70c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l30_70a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l3a_6dp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l3e_e11.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l3j_6g9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l42_6j6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4i_6j3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4n_6qt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4q_lkb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4s_6kx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4t_6ls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4u_6ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4v_6kw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4w_6kh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4x_6ku.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l4y_6k3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l57_6n3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l58_6mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l6x_6sg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l72_6pf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7e_6q0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7g_6qe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7h_6qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7i_vis.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7p_buu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7t_6qj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7w_6qu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l7y_6qo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l8d_6rp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l8t_6rr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l8u_6rs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l96_6rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l97_6rw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l98_6ry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l99_6s0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5l9z_gux.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lav_6sk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5law_6sj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lay_6ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5laz_6st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lba_6sv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lbq_767.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lbt_6t0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lbw_v0l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lby_6t2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lbz_6t3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ldg_it9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lfa_dlz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lga_6vh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lge_6vn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lgn_6w0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lgo_6vz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lgp_lpd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lgr_qvr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lgt_6w3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lgu_6w1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lh8_6wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lhb_6wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lhg_6x3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lhh_6x0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lhi_6x5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5li6_6xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5li7_6xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lia_6xn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lif_6xo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lix_mk4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5liy_dqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lj0_6xx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lj2_6xw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ljq_anv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ljt_a6n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lkj_6yb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lkr_6yc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lkt_bco.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lkx_1vu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lkz_coo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ll5_6yh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lla_6yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5llc_v26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lle_v51.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5llh_v49.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5llo_5ef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5llp_6z9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lls_6z8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lma_6zg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lmb_6zf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lmd_rc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lmk_6zk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ln2_6zt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lny_70k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lnz_70z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lo1_70l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lo5_70m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lo6_70o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lp1_71h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lp6_71p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lpk_xdm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lpl_71x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lpm_71y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lpo_725.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lpq_72c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lpt_726.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lqc_542.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lqf_4sp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lqk_72m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lqn_72o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lqq_72p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lqr_72w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lr6_731.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lr7_73j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lre_ks3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lrl_73s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ls1_73z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ls6_74d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lsg_qzq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lu6_i22.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lu8_5kn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lu9_3y7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lv2_lhb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lv2_sao.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lv3_lhf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lvd_79f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lvo_78w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lvr_78y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lw9_5uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwb_79h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwd_79e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwe_79k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwm_79t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwn_79r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwr_7b2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lwt_7b3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lx3_7a1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lx5_7a0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lx5_dpo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lx6_78p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lxc_7aa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lxd_7a7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lxp_7ag.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyd_7b0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyf_7b6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyh_7b8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyi_t4f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyj_7ba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyl_t5f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyq_7be.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyw_7bh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyx_7bf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lyy_7bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lz2_7bx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lz4_7bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lz5_7k4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lz7_7bk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lz8_7bp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lz9_7br.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lzg_7bn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lzi_7bq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lzi_7db.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5lzj_7bt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m05_52e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m0d_7c8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m0e_7cr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m0m_7cf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m0s_7cw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m12_7d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m16_7d2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m1e_7d9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m23_7dc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m25_7du.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m2f_uv8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m2v_7e5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m44_7ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m4i_7fc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m51_nu6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m53_7gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m55_7gg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m5q_7k1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m6e_7ht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m6f_7hu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m6h_7j6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m6m_7h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m6n_7h9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m6u_7ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m7g_fb7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m7m_7hr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m7u_xha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m8d_ugi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m8g_918.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m8r_mms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m8t_0tr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m96_q6y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m9w_7gr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5m9x_7kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ma7_7k0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5maf_xin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mag_7kc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mah_7kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mam_sro.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5man_ngr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mar_7ke.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mar_ar6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mat_7kj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mb0_f63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mb0_f91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mes_7lt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mev_7lw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mex_pap.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mf6_7m2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mfp_7m5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mfr_7mk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mfs_7ml.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mfs_mli.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mft_7mf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mfz_7m9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mg2_7m8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mge_7mx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mgg_7mu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mgk_7mw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mgm_7mz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mgn_7n2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mhb_pbg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mhp_7nb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mhq_8qt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mih_7nu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mim_1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mj5_7o0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mj6_7o2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mja_7o3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mk4_i5w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mkj_4cu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mks_ti8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mku_j57.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mkx_82i.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mky_i0d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ml0_p2l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ml2_nh6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ml3_dl3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ml4_rrq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ml6_9gd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ml8_v98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mlj_9st.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mma_vht.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmb_ouy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mme_8q6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmf_jmb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmg_ut0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmn_o54.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmo_9jg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmp_g3z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmr_h83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mmw_sjz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mnr_jc2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mo4_ay7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mo4_nil.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mo5_4ih.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mo7_yra.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mo8_c98.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5moe_oqc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5moh_ytx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mot_hbd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mov_hc4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mow_br9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mp8_rkn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mpj_j2p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mpz_4i8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mqe_pku.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mqg_f31.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mqk_qpr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mql_g65.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mqv_d5q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mrd_s26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mrh_q9z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mri_q9y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mrm_q9t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mro_q9p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mrp_6bc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mt0_qjs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mt4_m7o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mtq_xt3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mtr_xt0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mts_xka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mut_hyt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mvc_y9b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mvd_u91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mw3_5jj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mw3_5jt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mw4_5ju.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mw6_rc0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mw8_5my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mwj_ebu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mwo_j6w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mxk_zha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mxv_k3t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mxx_w4a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5my8_rxz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5myg_ls8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5myl_q2n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mym_hyv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5myn_zuf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5myr_udy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mys_yp6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5myt_zqc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5myw_wcu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mzc_8eq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mzi_fyk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mzj_tep.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5mzk_ok1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n0d_8f2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n16_8fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n17_8fk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n18_8hz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n1v_8gq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n1x_8hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n21_8hn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2d_8j8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2f_8hw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2r_8jn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2s_8k8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2t_8kk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2x_8kn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n2z_8jh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n31_8lb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n34_8jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n3v_8l5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n3w_8kw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n3y_8l2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n49_8lw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n53_8nb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n5j_8nt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n5k_8nw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n69_2ow.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n6s_8p5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n6t_8p2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n7t_jhy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n7v_8pt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n84_8q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n84_pg0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n87_n66.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n87_pgf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n8c_8q8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n93_8qe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5n9s_8qw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5na0_8qz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nab_8rk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nad_8rh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nae_8r8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nag_8r5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nah_8rb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5naj_8se.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nak_kyn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nar_8rw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5naw_8rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nb6_8s2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nb7_8nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nba_8s5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nbf_8s8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ncf_8t5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ncy_8tk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ncz_8tn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ndd_8tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ndz_8un.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nev_72l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nf7_8vz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nf9_8vw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nfa_8vq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nfb_8vt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nfp_8w5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nft_8w8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ng1_8wb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ng9_8vn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ngb_8wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ngr_8wt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ngs_8ww.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ngt_8wz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ngu_8x2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ngz_2bg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhf_8x5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhh_8xh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhj_8xe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhl_8xb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nho_8xn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhp_8xk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhv_8qb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nhy_8xt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ni6_dj3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nio_8yh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5niu_8yz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nix_8yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5niz_8yt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nj0_8yw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5njr_cto.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5njz_8zh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk0_91e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk1_90n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk2_8zz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk3_92q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk4_90e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk5_90k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk6_90w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk8_90z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nk9_912.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nka_91h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkb_8zt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkc_90t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkd_91k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nke_90b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkf_8zn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkg_8zk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkh_8zq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nki_8zw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nkl_91t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nky_91w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nma_9cw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nn6_mig.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nn8_acr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5no1_xz4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nob_92t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5non_93h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5noy_93k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5noz_l99.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5npc_94e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5npd_94b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5npe_948.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nqe_94z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nrd_lat.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nrw_96n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ntk_99n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ntn_98h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ntp_98e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ntw_98n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nu1_8yb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nu5_99e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nuo_c8e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nxc_9db.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nxd_9d8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nzo_9ez.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nzp_9ew.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5nzy_ce3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o0a_9fh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o0b_9fe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o0c_9f8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o0d_9f5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o0f_iop.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o0h_9fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o13_9g5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o1n_9h8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o2d_9hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o4f_8ve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o52_9le.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o7a_9n5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o83_9nq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5o91_c5n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oe3_3uk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oe6_9sn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oer_do3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ofm_9tt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ofv_9tz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ofw_9tw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ohj_9ve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5omw_lss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5on0_9yh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5on1_9yk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5on3_9yn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5one_9yq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5onh_vrt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5op4_a0t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5op6_a0w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5op7_a1k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5op8_a1h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5opb_a1n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5opr_a3e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5opv_a3h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oq4_a3w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5or8_jr4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5or9_jr5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5orb_jr6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5osk_a9q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ot8_6db.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ot9_aoz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ota_aqq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5otc_aqk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ov7_6fs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ov9_cvi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ovr_axk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ovx_ay5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ow1_ay8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5owq_38o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5owr_1n1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ox5_b2e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ox6_a1z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oxg_b4b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oxj_nzi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oy4_b4k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5oy6_b4e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p2p_dhg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p8w_o01.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p8x_75z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p8y_763.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p8z_766.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p90_769.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p91_76b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p92_76g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p93_76s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p94_76t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p95_77g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p96_77h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p97_77k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p98_77l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p99_77m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9a_77n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9b_77p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9c_77q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9d_77r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9e_77s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9f_2vl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9g_7g6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9h_7g7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9i_1e8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9l_7g9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9n_7je.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9o_7jf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9p_7jg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9q_7jh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9r_7jj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9s_7jk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9t_7jd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9u_7jl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9u_sah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9v_7jm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9w_7jn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9w_d1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9x_7jo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9y_7jp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9y_nhe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5p9z_7jq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pa0_7jr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pa1_7js.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pa2_7ju.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pa3_7jv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pa6_7jw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pa7_7jx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pab_7xd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pah_ldp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pgu_8k4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pgv_8k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pgw_8ka.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pgx_8kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pgz_8kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pzl_8xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pzm_8xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pzn_8xp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pzo_8xm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5pzp_8xj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0d_9ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0e_9fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0f_9fa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0g_9f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0h_9f1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0i_0x0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0j_9kv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0l_9ky.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0m_9l1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0n_9l4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0o_9l7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0p_9la.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0q_9ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0r_9lg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0s_9lj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0t_9lm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0u_9lp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0v_9ls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0w_9lv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0y_9ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q0z_9m1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q10_9m4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q11_9m7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q12_9ma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q13_9md.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q14_9mm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q15_9mp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q16_9ms.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q17_9mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q18_9my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q19_9n1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1a_9n4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1b_9n7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1c_9na.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1d_9nd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1e_9ng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1f_9nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1g_9nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1h_9np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5q1i_9o1.sdf 122/333 Test #127: test_lssr_4 ......................................................................................... Passed 2.21 sec test 128 Start 128: test_lssr_5 128: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "lssrtest" "5" 128: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 128: Environment variables: 128: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 128: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 128: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qbu_b8j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qbw_b8s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qbx_b8v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qby_n2a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qbz_b8y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc0_bqj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc1_b9s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc2_bqp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc3_b9y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc4_bc7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc5_baj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc6_bcj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc7_bqs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc8_bfv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qc9_bg7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qca_bgj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcb_bhv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcc_bgy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcd_bhj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcf_bjd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcg_bjj.sdf 128: Verify LSSR: rings/tetrahedron.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qch_bjs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qci_bjv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcj_bjy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qck_buv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcl_buy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcm_bvj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5qcn_bvm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5std_unn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sun_70q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5suw_70g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sux_70h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5svf_70p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5svr_71c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sw3_46l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5swp_70v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5swt_71a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sx8_71m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sxb_soa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sxd_71f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sxi_71j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sxn_74u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sy2_74v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sy3_74z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sym_71q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5syz_71w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5sz9_74y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5szt_72j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t0l_73x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t0p_73a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t0t_72q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t18_73t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t19_73u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t1a_73r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t1a_vt5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t1h_75e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t1s_76q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t1t_76p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t1z_q97.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t21_74e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t27_74f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t28_74q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2b_74o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2d_74l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2g_74k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2i_74j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2l_74h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2m_74n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2p_k89.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2t_0n8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t2y_753.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t35_759.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t36_755.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t37_758.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t3q_75h.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4b_75n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4e_75l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4f_75m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4h_75j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4k_76u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4s_pg6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t4v_n48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t5g_75p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t5t_75o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t5u_75t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t68_77v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t6c_75s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t6e_75r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t6h_75q.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t6n_75u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t7e_ppq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t7f_76c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8e_77u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8f_799.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8g_4z0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8i_77c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8j_77t.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8o_76z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8p_774.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t8q_76y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t92_77w.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t97_782.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5t9c_g3p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ta4_838.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ta6_79d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ta8_79c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tb6_77x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tb8_1rz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tb9_1ry.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbb_ppv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbh_78k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbh_m2m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbi_78v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbj_lhd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbm_79a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbo_78z.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tbp_7a4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tc0_79y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tc5_big.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tc6_7a6.sdf 128: Verify LSSR: rings/cubane.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tca_j55.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tcc_j56.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tcj_79v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5td2_7ae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5td4_cey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5te2_7b9.sdf 128: Verify LSSR: rings/cubane2.mdl 128: Verify LSSR: rings/octahedron.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5te8_08j.sdf 128: Verify LSSR: rings/bridged1.mdl 128: Verify LSSR: rings/fullerene20.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tei_m39.sdf 128: Verify LSSR: rings/fullerene60.mdl 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tel_7aj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ten_7fn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tep_7ax.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ter_7ay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tex_7au.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tf5_7ar.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tf9_7av.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tft_p6u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tfu_p6m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tgz_zdg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tht_b3n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ti3_7cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ti7_7cq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tiu_7cu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tjk_bga.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tjn_bgb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tjx_gbt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tjy_pdc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tkb_7dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tkd_7gl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tks_7dl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tkt_7ds.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tku_7dk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tld_6wv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tle_rd1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlf_7ef.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlh_mdn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlh_rd2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlm_7em.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tln_ban.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlo_7ee.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlw_rd3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tlz_n26.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmd_7e0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmg_7ek.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmk_7ej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmo_7m1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmq_7m7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmr_7fd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tms_7fg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmw_7fp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tmz_7fq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tn1_7fr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tn3_7fs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5to8_7fm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tob_yam.sdf 123/333 Test #128: test_lssr_5 ......................................................................................... Passed 0.16 sec test 129 Start 129: test_isomorphism_1 129: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "1" 129: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 129: Environment variables: 129: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 129: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 129: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5toe_7gk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tpg_7h5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tq3_7gz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tq4_7gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tq5_7gx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tq6_7gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tq7_7gt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tq8_7gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tqe_7kq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tqf_7kr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tqg_7ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tqh_7j2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tr6_7kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5trf_7hc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5trh_7hl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tri_7hm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5trj_7ho.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5trk_7hh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tt7_7kf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ttg_7kz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tto_7kk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tuq_j63.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tur_7lk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tuz_7l6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tv0_eq3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tvj_7lf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tvn_7ld.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tvt_7lv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tvy_xpe.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tw3_7n1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5twl_h91.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5twn_7ng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5two_7mv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5twx_7p7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5twy_7ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tx3_7my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tx5_7mj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tyh_7o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tz3_7om.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tz9_7sd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tza_7og.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzh_7op.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzo_7v7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzw_7p4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzx_7oy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzy_7os.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzy_mk6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5tzz_7oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u00_7ov.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u09_7dy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u0l_8yp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u0v_7vj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u0w_9mg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u0y_7pj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u0z_7pm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u11_7ps.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u13_yh5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u14_7pv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u28_82v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u2e_837.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u2f_82y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u2m_7t7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u2n_7ta.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u39_c90.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3b_7td.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3f_7ts.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3i_7sj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3q_7uj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3r_7v1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3s_7v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3t_7uy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3u_7tv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3v_7ty.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3w_7u1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3x_7u4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3y_7u7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u3z_7ua.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u40_7ud.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u41_7ug.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u42_7sm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u43_7ss.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u44_7sv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u45_7sy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u46_7t1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u48_s4b.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u4a_7vg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u4c_xbs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u4d_xlo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u4e_xlb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u4x_7vm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5h_7vv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5k_7vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5l_7va.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5t_7w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5v_7wa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5w_7w1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5y_7w4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u5z_7vp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u60_7vs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u62_7wd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u69_lqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u6b_7ys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u6d_7xg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u6i_81y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u6j_82j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u6v_7wy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u6x_p6a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u72_7zv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u7i_7xs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u7j_7xv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u7k_7y1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u7l_7y4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u7r_81g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u86_81v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u8a_82d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u8f_82g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5u9d_83p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uab_84m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uad_84p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uap_82s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ubg_prt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ubr_85s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uda_cae.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ue4_5xq.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uec_85d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ueo_87g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uep_88p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ueq_87m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uer_87p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ues_87s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uet_87v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ueu_0s6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uev_88y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uew_87d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uex_89d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uey_88m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uez_89g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uf0_89j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ufj_86m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ufo_87j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ufp_86d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ufr_88j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ufu_85v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ug2_86j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uga_8bm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ugp_8cp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ugs_xt5.sdf 124/333 Test #129: test_isomorphism_1 .................................................................................. Passed 0.12 sec test 130 Start 130: test_isomorphism_2 130: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "2" 130: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 130: Environment variables: 130: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 130: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 130: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ugt_xtw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ugu_xtv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uhi_8a4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uhl_8bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uig_8d1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uih_8cv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uio_8dm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uio_lg3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uiq_8bv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uir_8by.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uis_8c1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uit_8cd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uiu_8cg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uj2_8b4.sdf 130: testIsomorphism2 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uj3_ce4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ujb_6ak.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uk8_8dv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ukf_8e1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ukj_3k6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ukk_8dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ukl_six.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ukm_t0e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ul0_vt1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ul1_8dy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ul5_8d7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ula_5mj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ulg_8e4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uli_0wd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5um6_8ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5unf_8es.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5unh_8em.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5unt_8j1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5unv_8j7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5unw_8f7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5unx_8f1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uo8_8ev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uo9_8j4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uoa_8ey.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uob_m4r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uoo_8fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uop_8g4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uoq_8g1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uor_8gv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uox_8gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uoy_8hm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5up0_8hp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5up3_8gs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5upe_8hy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5upf_8hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5upg_8gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5upj_uin.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5upu_6q9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5upv_8kv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uq0_wp1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uqv_8jm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uqx_8jp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ur1_yy9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ur3_8oy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ur5_8kp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ur6_8km.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ura_8ks.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5urj_8ls.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5urk_8lp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5urv_ner.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5usq_8ly.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ut2_3yt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ut3_ik1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ut4_dqx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ut5_2hb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ut6_8my.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ute_8m4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5utn_8ma.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uu1_7dz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uv3_8n4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvc_8pv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvp_8n7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvs_8o1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvt_8nv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvu_8o4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvv_8ns.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvw_8ng.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvx_8nm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvy_8nj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uvz_8np.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uwf_8q7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uwk_8om.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uwl_8oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uwm_8oa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uwn_8o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uy6_8r4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5uyj_8r7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v0u_8qg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v0v_8qp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v0v_8qs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v18_8uy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v19_8v4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v24_8v7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v2j_7wv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v3o_8w7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v4w_8wm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v4x_8wj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v4y_8fm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v56_836.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v5n_edh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v5y_8x7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v79_8y4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v7a_8y7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v7t_91v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v7w_91j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v82_96y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v84_96v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8h_8zj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8j_8zs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8n_8zp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8o_8zm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8p_90g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8q_97a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8r_90j.sdf 130: 1 125/333 Test #130: test_isomorphism_2 .................................................................................. Passed 0.10 sec 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8u_90m.sdf test 131 Start 131: test_isomorphism_3 131: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "3" 131: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 131: Environment variables: 131: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 131: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 131: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v8v_90d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v9p_90s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5v9t_90v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5val_92d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vam_92j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vb5_92a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vb6_927.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vb7_921.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vbe_92v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vbu_3qz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vc5_96m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vce_rit.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vcw_93j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vcy_db8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vcz_xzn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vd1_p48.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vdq_9bg.sdf 131: testIsomorphism3 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vdr_9b7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vds_9bj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vdt_4bw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vdu_9bs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vdv_9bv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vdw_9by.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vee_981.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vew_97y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vex_97v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vez_xc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vfc_9ba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vgi_9dj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vgo_9b1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vjg_0bp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vkc_9ea.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vkn_q6f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vkp_q5f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vkr_apr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vl0_bnf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vl0_nai.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vlo_9ej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vlr_9em.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vmp_9fj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vn1_nwh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vo1_9fs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vo2_9fv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vo6_9j4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vom_9gy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vp0_9gj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vpm_9g7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vqq_9jp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vqr_9kg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vqs_9kd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vqt_9k7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vr7_a1f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vro_a7s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vrp_9jd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vs5_9j7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vsc_9hj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vsf_9hg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vsj_9hv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vsq_a2v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vsr_af0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vt1_9js.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vt4_9kj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vt7_a1c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vu8_9o7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vua_8gx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vub_8gu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vuc_8gr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vuk_9p1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vun_9om.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vuo_9os.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vup_9p4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vv6_p64.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vv7_xh8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vv8_9p7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vv9_9og.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vva_9oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vvg_9pm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vvn_p94.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5vyq_0fx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w0c_9w6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w2e_9vy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w49_9w1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w4b_9w4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w4w_9wg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w5j_9ws.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w5o_9xa.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w71_9ym.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w84_9yy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w85_9ys.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w86_9yv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w8v_9yp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5w9d_9xy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wa8_9za.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wa9_9zd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wal_9zs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wb6_9zm.sdf 131: 2 126/333 Test #131: test_isomorphism_3 .................................................................................. Passed 0.11 sec test 132 Start 132: test_isomorphism_4 132: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "4" 132: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 132: Environment variables: 132: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 132: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 132: Test timeout computed to be: 1500 132: testIsomorphism4 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbe_63x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbm_a4g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbn_9zv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbo_a1y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbp_a2j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbq_a3j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbr_a3y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbv_9zy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbx_ajy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wbz_a4j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wc5_ajv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wcg_a4m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wdy_a6s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5we8_a7y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wey_2m4.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5whc_ajj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wiv_aqd.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wk7_cah.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wke_p50.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wkg_cuy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wkg_d21.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wki_d3d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wlw_8q1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wn8_bbj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wnx_sgt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wny_b7p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wnz_b7j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wo0_b7a.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wo4_b7v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wpb_b8p.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wqa_j20.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wqg_7mi.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wqh_7wu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wqh_7wx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wqi_7x0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wr7_rch.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wre_7tl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wrq_7tx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wry_4yr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wrz_7u3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ws0_7u6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5ws1_7u9.sdf 132: 2 127/333 Test #132: test_isomorphism_4 .................................................................................. Passed 0.11 sec test 133 Start 133: test_isomorphism_5 133: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "5" 133: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 133: Environment variables: 133: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 133: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 133: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wtc_7ul.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wuk_73k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wy9_1pg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wya_7vo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wyf_ilp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wyx_cu8.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5wyz_7vf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x0r_4wh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x1v_7xx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x1w_7y0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x21_pum.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x24_lsn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x2x_4lm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x2z_3lm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x30_7xf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x4m_7zf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x4n_7zl.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x4p_7zo.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x4q_7z6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x5q_d16.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x67_7z9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x69_7zc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x72_p59.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x72_p69.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x74_jay.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x7d_8vs.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x7e_7zu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x7z_bha.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x8g_s0n.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x8i_sqz.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x8q_82r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x8s_6q5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x8x_82o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x93_k87.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x9o_80r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5x9p_80l.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xaf_84f.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xdt_zi7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xdu_zi6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xe1_iuu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xgn_85x.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xhc_87u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xhk_ldr.sdf 133: 3 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xi7_po7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xkm_87r.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xlt_89o.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xlz_89u.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xp7_8c6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xpr_k86.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xqx_8cc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xr8_8d0.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xra_8d3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xs2_8d6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xt6_pda.sdf 133: 1 133: 2 133: 1 128/333 Test #133: test_isomorphism_5 .................................................................................. Passed 0.09 sec test 134 Start 134: test_isomorphism_6 134: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "6" 134: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 134: Environment variables: 134: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 134: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 134: Test timeout computed to be: 1500 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xy1_8h0.sdf 134: testAutomorphismMask 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xzb_a9y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xze_ae7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xzg_aev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5xzr_8j6.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5y2t_8lx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5y3n_8mf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5y3o_8m9.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5y5n_8no.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5y9l_8r3.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5yar_rib.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5yas_fac.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5yjk_8vx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/5yl4_8wr.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6aol_vc1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6aom_p33.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6aom_vc5.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6au3_bwm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6aud_bwy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6axn_btm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6ayw_c2v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b0z_c81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b16_c7y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b4l_cjy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b4u_cn7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b4w_cq7.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b8b_czj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b8j_65c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b8u_8en.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b96_czv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b97_czy.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6b98_d07.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bab_d0s.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bcz_d7y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bd5_d7m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bd6_80k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bd7_d7j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bd8_d81.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bdh_dev.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bdi_dej.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bdk_dj1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bdm_y83.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bk3_b2s.sdf 134: 4 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bku_dxv.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bn5_dzj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bnj_wpg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bns_xgh.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bp0_e1d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bql_bi9.sdf 134: 8 134: 0 1 2 3 4 5 9 8 7 10 11 12 13 134: 0 1 2 3 4 5 9 8 13 12 11 10 7 134: 4 3 2 1 0 5 9 8 7 10 11 12 13 134: 4 3 2 1 0 5 9 8 13 12 11 10 7 134: 10 7 8 13 12 11 9 2 1 0 5 4 3 134: 10 7 8 13 12 11 9 2 3 4 5 0 1 134: 12 13 8 7 10 11 9 2 1 0 5 4 3 134: 12 13 8 7 10 11 9 2 3 4 5 0 1 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6brc_e5j.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bru_e5m.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6btw_e8d.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6bu6_e8v.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6cha_pba.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6cpa_zaf.sdf 129/333 Test #134: test_isomorphism_6 .................................................................................. Passed 0.08 sec test 135 Start 135: test_isomorphism_7 135: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "7" 135: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 135: Environment variables: 135: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 135: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 135: Test timeout computed to be: 1500 135: testAutomorphismMask2 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6egu_43y.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eim_b6e.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eks_g39.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6en5_bj2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6enc_bgw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6end_bgk.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6enx_bjw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eo0_bvt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eo9_2oj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eqp_buw.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eqq_h19.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6equ_bve.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6esy_tfx.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6euv_21g.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eux_byb.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6eva_4mj.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6evd_byn.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6evf_4lu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6ezq_c7k.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6std_ms2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/6upj_niu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/7cpa_fvf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/7enl_2pg.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/7gch_lpf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/7std_crp.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/7upj_inu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/830c_rs1.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8a3h_idc.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8acn_nic.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8cho_p4c.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8cpa_agf.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8cpp_tcm.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8ico_azt.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/8mht_du.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/966c_rs2.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/9rsa_adu.sdf 104: /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/../pdb_ligands_sdf/9xim_xls.sdf 130/333 Test #135: test_isomorphism_7 .................................................................................. Passed 0.09 sec test 136 Start 136: test_isomorphism_8 136: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "8" 136: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 136: Environment variables: 136: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 136: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 136: Test timeout computed to be: 1500 136: testAutomorphismPreMapping 131/333 Test #104: test_addh_1 ......................................................................................... Passed 14.60 sec test 137 Start 137: test_isomorphism_9 137: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "isomorphismtest" "9" 137: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 137: Environment variables: 137: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 137: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 137: Test timeout computed to be: 1500 137: testIsomorphism9 136: 2 132/333 Test #136: test_isomorphism_8 .................................................................................. Passed 0.09 sec test 138 Start 138: test_multicml_1 138: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "multicmltest" "1" 138: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 138: Environment variables: 138: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 138: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 138: Test timeout computed to be: 1500 138: 138: # Testing handling of multi-molecule cml files... 133/333 Test #137: test_isomorphism_9 .................................................................................. Passed 0.13 sec test 139 Start 139: test_periodic_1 139: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "periodictest" "1" 139: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 139: Environment variables: 139: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 139: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 139: Test timeout computed to be: 1500 134/333 Test #139: test_periodic_1 ..................................................................................... Passed 0.02 sec test 140 Start 140: test_periodic_2 140: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "periodictest" "2" 140: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 140: Environment variables: 140: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 140: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 140: Test timeout computed to be: 1500 135/333 Test #140: test_periodic_2 ..................................................................................... Passed 0.01 sec test 141 Start 141: test_periodic_3 141: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "periodictest" "3" 141: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 141: Environment variables: 141: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 141: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 141: Test timeout computed to be: 1500 136/333 Test #138: test_multicml_1 ..................................................................................... Passed 0.10 sec test 142 Start 142: test_periodic_4 142: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "periodictest" "4" 142: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 142: Environment variables: 142: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 142: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 142: Test timeout computed to be: 1500 137/333 Test #142: test_periodic_4 ..................................................................................... Passed 0.02 sec test 143 Start 143: test_regressions_1 143: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "1" 143: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 143: Environment variables: 143: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 143: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 143: Test timeout computed to be: 1500 138/333 Test #141: test_periodic_3 ..................................................................................... Passed 0.11 sec test 144 Start 144: test_regressions_2 144: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "2" 144: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 144: Environment variables: 144: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 144: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 144: Test timeout computed to be: 1500 139/333 Test #143: test_regressions_1 .................................................................................. Passed 0.11 sec test 145 Start 145: test_regressions_221 145: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "221" 145: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 145: Environment variables: 145: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 145: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 145: Test timeout computed to be: 1500 140/333 Test #144: test_regressions_2 .................................................................................. Passed 0.10 sec test 146 Start 146: test_regressions_222 146: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "222" 146: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 146: Environment variables: 146: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 146: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 146: Test timeout computed to be: 1500 141/333 Test #145: test_regressions_221 ................................................................................ Passed 0.11 sec test 147 Start 147: test_regressions_223 147: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "223" 147: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 147: Environment variables: 147: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 147: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 147: Test timeout computed to be: 1500 142/333 Test #146: test_regressions_222 ................................................................................ Passed 0.10 sec test 148 Start 148: test_regressions_224 148: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "224" 148: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 148: Environment variables: 148: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 148: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 148: Test timeout computed to be: 1500 143/333 Test #147: test_regressions_223 ................................................................................ Passed 0.11 sec test 149 Start 149: test_regressions_225 149: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "225" 149: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 149: Environment variables: 149: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 149: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 149: Test timeout computed to be: 1500 144/333 Test #148: test_regressions_224 ................................................................................ Passed 0.11 sec test 150 Start 150: test_regressions_226 150: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "226" 150: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 150: Environment variables: 150: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 150: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 150: Test timeout computed to be: 1500 145/333 Test #149: test_regressions_225 ................................................................................ Passed 0.11 sec test 151 Start 151: test_regressions_227 151: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "227" 151: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 151: Environment variables: 151: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 151: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 151: Test timeout computed to be: 1500 150: Rep: 0 150: 0 [H] --> [H] ([H]) 150: 1 [H][H] --> [H][H] ([H][H]) 150: 2 [HH] --> [HH] ([HH]) 150: 3 C --> C (C) 150: 4 [C] --> [C] ([C]) 150: 5 [CH] --> [CH] ([CH]) 150: 6 [CH3] --> [CH3] ([CH3]) 150: 7 [CH4] --> C (C) 150: 8 [CH5] --> [CH5] ([CH5]) 150: 9 C[H] --> C (C) 150: 10 [C][H] --> [CH] ([CH]) 150: 11 [CH3][H] --> C (C) 150: 12 [CH2]([H])[H] --> C (C) 150: 13 [U][H] --> [UH] ([UH]) 150: 14 [UH2] --> [UH2] ([UH2]) 150: 15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I) 150: 16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I) 150: 17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I) 150: 18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I) 150: 19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I) 150: 20 C[H:1] --> C (C) 150: 21 C[2H] --> C[2H] (C[2H]) 150: 22 c1ccccc1 --> c1ccccc1 (c1ccccc1) 150: 23 c1cnccc1 --> c1cnccc1 (c1cnccc1) 150: 24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1) 150: 25 F[I]F --> F[I]F (F[I]F) 150: Rep: 1 150: 0 [H] --> [H] ([H]) 150: 1 [H][H] --> [H][H] ([H][H]) 150: 2 [HH] --> [HH] ([HH]) 150: 3 C --> C (C) 150: 4 [C] --> [C] ([C]) 150: 5 [CH] --> [CH] ([CH]) 150: 6 [CH3] --> [CH3] ([CH3]) 150: 7 [CH4] --> C (C) 150: 8 [CH5] --> [CH5] ([CH5]) 150: 9 C[H] --> C[H] (C[H]) 150: 10 [C][H] --> [C][H] ([C][H]) 150: 11 [CH3][H] --> C[H] (C[H]) 150: 12 [CH2]([H])[H] --> C([H])[H] (C([H])[H]) 150: 13 [U][H] --> [U][H] ([U][H]) 150: 14 [UH2] --> [UH2] ([UH2]) 150: 15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I) 150: 16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I) 150: 17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I) 150: 18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I) 150: 19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I) 150: 20 C[H:1] --> C[H] (C[H]) 150: 21 C[2H] --> C[2H] (C[2H]) 150: 22 c1ccccc1 --> c1ccccc1 (c1ccccc1) 150: 23 c1cnccc1 --> c1cnccc1 (c1cnccc1) 150: 24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1) 150: 25 F[I]F --> F[I]F (F[I]F) 150: Rep: 2 150: 0 [H] --> [H] ([H]) 150: 1 [H][H] --> [H][H] ([H][H]) 150: 2 [HH] --> [H][H] ([H][H]) 150: 3 C --> C([H])([H])([H])[H] (C([H])([H])([H])[H]) 150: 4 [C] --> [C] ([C]) 150: 5 [CH] --> [C][H] ([C][H]) 150: 6 [CH3] --> [C]([H])([H])[H] ([C]([H])([H])[H]) 150: 7 [CH4] --> C([H])([H])([H])[H] (C([H])([H])([H])[H]) 150: 8 [CH5] --> [C]([H])([H])([H])([H])[H] ([C]([H])([H])([H])([H])[H]) 150: 9 C[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H]) 150: 10 [C][H] --> [C][H] ([C][H]) 150: 11 [CH3][H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H]) 150: 12 [CH2]([H])[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H]) 150: 13 [U][H] --> [U][H] ([U][H]) 150: 14 [UH2] --> [U]([H])[H] ([U]([H])[H]) 150: 15 [C@@H](Br)(Cl)I --> [C@](Br)(Cl)(I)[H] ([C@](Br)(Cl)(I)[H]) 150: 16 Br[C@@H](Cl)I --> Br[C@@](Cl)(I)[H] (Br[C@@](Cl)(I)[H]) 150: 17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I) 150: 18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I) 150: 19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I) 150: 20 C[H:1] --> C([H])([H])([H])[H] (C([H])([H])([H])[H]) 150: 21 C[2H] --> C([2H])([H])([H])[H] (C([2H])([H])([H])[H]) 150: 22 c1ccccc1 --> c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H] (c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H]) 150: 23 c1cnccc1 --> c1(c(nc(c(c1[H])[H])[H])[H])[H] (c1(c(nc(c(c1[H])[H])[H])[H])[H]) 150: 24 c1c[nH]cc1 --> c1(c(n(c(c1[H])[H])[H])[H])[H] (c1(c(n(c(c1[H])[H])[H])[H])[H]) 150: 25 F[I]F --> F[I]F (F[I]F) 150: Rep: 3 150: 0 [H] --> [#1] ([#1]) 150: 1 [H][H] --> [#1][#1] ([#1][#1]) 150: 2 [HH] --> [#1] ([#1]) 150: 3 C --> C (C) 150: 4 [C] --> C (C) 150: 5 [CH] --> C (C) 150: 6 [CH3] --> C (C) 150: 7 [CH4] --> C (C) 150: 8 [CH5] --> C (C) 150: 9 C[H] --> [C!H0] ([C!H0]) 150: 10 [C][H] --> [C!H0] ([C!H0]) 150: 11 [CH3][H] --> [C!H0] ([C!H0]) 150: 12 [CH2]([H])[H] --> [C!H0!H1] ([C!H0!H1]) 150: 13 [U][H] --> [U!H0] ([U!H0]) 150: 14 [UH2] --> [U] ([U]) 150: 15 [C@@H](Br)(Cl)I --> [C](Br)(Cl)I ([C](Br)(Cl)I) 150: 16 Br[C@@H](Cl)I --> Br[C](Cl)I (Br[C](Cl)I) 150: 17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I) 150: 18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I) 150: 19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I) 150: 20 C[H:1] --> [C!H0] ([C!H0]) 150: 21 C[2H] --> C[2#1] (C[2#1]) 150: 22 c1ccccc1 --> c1ccccc1 (c1ccccc1) 150: 23 c1cnccc1 --> c1cnccc1 (c1cnccc1) 150: 24 c1c[nH]cc1 --> c1cncc1 (c1cncc1) 150: 25 F[I]F --> FIF (FIF) 146/333 Test #150: test_regressions_226 ................................................................................ Passed 0.11 sec test 152 Start 152: test_regressions_228 152: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "228" 152: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 152: Environment variables: 152: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 152: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 152: Test timeout computed to be: 1500 147/333 Test #151: test_regressions_227 ................................................................................ Passed 0.10 sec test 153 Start 153: test_regressions_229 153: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "229" 153: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 153: Environment variables: 153: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 153: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 153: Test timeout computed to be: 1500 148/333 Test #152: test_regressions_228 ................................................................................ Passed 0.13 sec test 154 Start 154: test_regressions_240 154: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "240" 154: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 154: Environment variables: 154: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 154: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 154: Test timeout computed to be: 1500 149/333 Test #153: test_regressions_229 ................................................................................ Passed 0.13 sec test 155 Start 155: test_regressions_241 155: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "241" 155: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 155: Environment variables: 155: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 155: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 155: Test timeout computed to be: 1500 150/333 Test #154: test_regressions_240 ................................................................................ Passed 0.11 sec test 156 Start 156: test_regressions_242 156: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "242" 156: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 156: Environment variables: 156: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 156: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 156: Test timeout computed to be: 1500 151/333 Test #155: test_regressions_241 ................................................................................ Passed 0.12 sec test 157 Start 157: test_regressions_1794 157: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "1794" 157: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 157: Environment variables: 157: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 157: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 157: Test timeout computed to be: 1500 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 1). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 2). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 3). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 4). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 5). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 6). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 7). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 8). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 9). 156: ============================== 156: *** Open Babel Warning in parseAtomRecord 156: WARNING: Problems reading a PDBQT file 156: Problems reading a HETATM or ATOM record. 156: According to the PDBQT specification, 156: columns 72-76 should contain charge of the atom 156: but OpenBabel found ' ' (atom 10). 152/333 Test #156: test_regressions_242 ................................................................................ Passed 0.11 sec test 158 Start 158: test_regressions_2111 158: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "2111" 158: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 158: Environment variables: 158: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 158: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 158: Test timeout computed to be: 1500 153/333 Test #157: test_regressions_1794 ............................................................................... Passed 0.10 sec test 159 Start 159: test_regressions_2428 159: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "2428" 159: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 159: Environment variables: 159: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 159: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 159: Test timeout computed to be: 1500 158: ============================== 158: *** Open Babel Warning in InChI code 158: #1 :Omitted undefined stereo 154/333 Test #158: test_regressions_2111 ............................................................................... Passed 0.12 sec test 160 Start 160: test_regressions_2646 160: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "2646" 160: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 160: Environment variables: 160: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 160: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 160: Test timeout computed to be: 1500 159: 1 molecule converted 155/333 Test #159: test_regressions_2428 ............................................................................... Passed 0.11 sec test 161 Start 161: test_regressions_2677 161: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "2677" 161: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 161: Environment variables: 161: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 161: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 161: Test timeout computed to be: 1500 156/333 Test #160: test_regressions_2646 ............................................................................... Passed 0.11 sec test 162 Start 162: test_regressions_2678 162: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "regressionstest" "2678" 162: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 162: Environment variables: 162: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 162: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 162: Test timeout computed to be: 1500 162: ============================== 162: *** Open Babel Error in CalcCanonicalLabels 162: maximum time exceeded... 162: ============================== 162: *** Open Babel Error in CalcCanonicalLabels 162: maximum time exceeded... 157/333 Test #162: test_regressions_2678 ............................................................................... Passed 0.11 sec test 163 Start 163: test_rotor_1 163: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "rotortest" "1" 163: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 163: Environment variables: 163: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 163: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 163: Test timeout computed to be: 1500 158/333 Test #163: test_rotor_1 ........................................................................................ Passed 0.01 sec test 164 Start 164: test_rotor_2 164: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "rotortest" "2" 164: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 164: Environment variables: 164: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 164: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 164: Test timeout computed to be: 1500 159/333 Test #164: test_rotor_2 ........................................................................................ Passed 0.08 sec test 165 Start 165: test_rotor_3 165: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "rotortest" "3" 165: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 165: Environment variables: 165: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 165: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 165: Test timeout computed to be: 1500 160/333 Test #165: test_rotor_3 ........................................................................................ Passed 0.08 sec test 166 Start 166: test_rotor_4 166: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "rotortest" "4" 166: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 166: Environment variables: 166: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 166: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 166: Test timeout computed to be: 1500 161/333 Test #166: test_rotor_4 ........................................................................................ Passed 0.12 sec test 167 Start 167: test_shuffle_1 167: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "shuffletest" "1" 167: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 167: Environment variables: 167: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 167: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 167: Test timeout computed to be: 1500 167: True Shuffling: COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O 167: ref = COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C/c1ccc(cc1)C#N)C(=O)N/N=C\c1ccc(cc1)C#N 167: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C\c1ccc(cc1)C#N)C(=O)N/N=C/c1ccc(cc1)C#N 167: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1 167: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.CC(=O)O 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: CCNc1ccc(cc1)/C(=C/1\C=C/C(=N)/C=C1)/c1ccc(N(CC)CC)c(C)c1 167: ref = CCNc1ccc(cc1)/C(=C/1\C=CC(=N)C=C1)/c1ccc(c(c1)C)N(CC)CC 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: C[C@H]1CCCCN1/C=C/1\C(=O)O[C@@](C)(CC)OC1=O 167: ref = CC[C@]1(C)OC(=O)/C(=C\N2CCCC[C@@H]2C)/C(=O)O1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: N=C\1/C=C/C(=C(\c2ccc(N)cc2)/c2ccc(N)c(C)c2)/C=C1 167: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: N=C\1/C=C/C(=N\Cc2ccc(N)cc2)/C=C1 167: ref = N=C1C=C/C(=N/Cc2ccc(cc2)N)/C=C1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])[C@H]9C7=C6C5=C89)[C@H]5C3=C2C1=C45.F[B-](F)(F)F 167: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F 167: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: c1[14cH]cccc1 167: ref = [14cH]1ccccc1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [14cH]1[14cH]cccc1 167: ref = [14cH]1[14cH]cccc1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [14cH]1[14cH]ccc[14cH]1 167: ref = [14cH]1[14cH]ccc[14cH]1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [14cH]1[14cH]cc[14cH][14cH]1 167: ref = [14cH]1[14cH][14cH]cc[14cH]1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [14cH]1[14cH]c[14cH][14cH][14cH]1 167: ref = [14cH]1[14cH][14cH]c[14cH][14cH]1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: [14cH]1[14cH][14cH][14cH][14cH][14cH]1 167: ref = [14cH]1[14cH][14cH][14cH][14cH][14cH]1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: stereo/error2.smi 167: ref = N#CC1[C@H]([C@@H]1C#N)C#N.N#CC1[C@H]([C@@H]1C#N)C#N 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = O=C(c1ccncn1)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = Clc1cc(nc(n1)Cl)O[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = OC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([C@H]1c1ccccc1)C(=O)O 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = OC(=O)[C@]12[C@@H]3CC[C@H]([C@]2(C(=O)O)[C@@H]2O[C@H]1CC2)O3 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = Nc1nc(S)nc(c1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = O1[C@@H]2[C@@H]1[C@@H]1O[C@H]1[C@H]1[C@H]([C@@H]3[C@H]2O3)O1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = C1=C[C@H]2[C@@H]1[C@]1(N=N[C@]2(Cc2ccccc2)[C@@H]2[C@H]1C=C2)Cc1ccccc1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = c1ccc2c(c1)O[Cu@]13[N+](=C2)CCC[O+]1[Cu@]12[O+]3CCC[N+]2=Cc2c(O1)cccc2 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = CN1C[C@@H]2CN(C[C@H](C1)[C@@]2(O)c1ccccc1)C 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = C1CCC2N(C1)[C@@H]1CCCCN1[C@@H]1N2CCCC1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = CN1[C@@H]2CC(=O)C[C@H]1[C@H]1C[C@@H]2C1 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH] 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ============================== 167: *** Open Babel Warning in ParseSmiles 167: Failed to kekulize aromatic SMILES 167: 167: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: F[Po@SP1](Cl)(Br)I 167: ref = F[Po@SP1](I)(Br)Cl 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: F[Po@SP2](Br)(Cl)I 167: ref = F[Po@SP1](I)(Br)Cl 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: True Shuffling: F[Po@SP3](Cl)(I)Br 167: ref = F[Po@SP1](I)(Br)Cl 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 167: ==================== start doRoundtrip ========================= 167: ==================== end doRoundtrip ========================= 162/333 Test #167: test_shuffle_1 ...................................................................................... Passed 0.77 sec test 168 Start 168: test_shuffle_2 168: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "shuffletest" "2" 168: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 168: Environment variables: 168: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 168: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 168: Test timeout computed to be: 1500 168: True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1 168: ============================== 168: *** Open Babel Warning in ParseSmiles 168: Failed to kekulize aromatic SMILES 168: 168: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1 168: ============================== 168: *** Open Babel Warning in ParseSmiles 168: Failed to kekulize aromatic SMILES 168: 168: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1 168: ============================== 168: *** Open Babel Warning in ParseSmiles 168: Failed to kekulize aromatic SMILES 168: 168: ref = COc1ccc(cc1)CN1[CH]C=CC(=C1)O.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@H](N(C)CC1)[C@@]12CC1 168: ref = COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@@H](C32CC3)N(CC1)C.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCNCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCNCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 161: ============================== 161: *** Open Babel Warning in PerceiveBondOrders 161: Failed to kekulize aromatic bonds in OBMol::PerceiveBondOrders 161: 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 163/333 Test #161: test_regressions_2677 ............................................................................... Passed 1.67 sec test 169 Start 169: test_shuffle_3 169: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "shuffletest" "3" 169: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 169: Environment variables: 169: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 169: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 169: Test timeout computed to be: 1500 169: True Shuffling: O[C@H]1CC[C@@H](O)CC1 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Br.NCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82 168: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: CC(=O)O.Oc1nc(N)c2nc3c(nc2n1)c1cccc2cccc3c12.OS(=O)(=O)O 168: ref = OS(=O)(=O)O.Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82 168: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: C12([C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3)OC(=O)C 168: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 169: ref = O[C@@H]1CC[C@@H](CC1)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: O[C@H]1C[C@@H](O)C[C@H](O)C1 169: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: O[C@H]1C[C@@H](O)C[C@@H](O)C1 169: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C 169: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclobutane_D1.smi 169: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C 168: ==================== end doRoundtrip ========================= 168: True Shuffling: [Fe]12345678(C9(C1=C4C3=C29)C=O)C1=C6C7=C5C81 168: ref = O=CC12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: [Fe+2]12345678([C-]9(C1=C7C6=C29)CCCCNCCCCN)C1=C4C5=C3[C-]81.Br 168: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/razinger_fig7_5_spec.mol 169: ref = O[C@H](CC(C[C@H](F)O)C[C@H](F)O)F 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclohexanediol_D1.mol 169: ref = O[C@@H]1CC[C@@H](CC1)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclohexanediol_D2.mol 169: ref = O[C@@H]1CC[C@H](CC1)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclohexanetriol_D1.mol 169: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: O[C@H]1CC[C@@H](O)CC1 168: ref = O[C@@H]1CC[C@@H](CC1)O 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclohexanetriol_D2.mol 169: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclobutane_D1.mol 169: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclobutane_D2.mol 169: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclobutane_D3.mol 169: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/cyclobutane_D4.mol 169: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C 169: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1 168: ref = c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: [C@@H]1([C@@H]([C@H]([C@H]1C)C)C)C 169: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: [C@@H]1([C@@H]([C@H]([C@@H]1C)C)C)C 169: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: [C@@H]1([C@@H]([C@@H]([C@H]1C)C)C)C 169: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3 168: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_cis.mol 169: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_epi.mol 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 169: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_allo.mol 169: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_myo.mol 169: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3 168: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_muco.mol 169: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C 169: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_neo.mol 169: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_scyllo.mol 169: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_chiroD.mol 169: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: stereo/inositol_chiroL.mol 169: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O 169: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C 168: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C 168: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 169: ==================== start doRoundtrip ========================= 169: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 164/333 Test #169: test_shuffle_3 ...................................................................................... Passed 0.37 sec test 170 Start 170: test_shuffle_4 170: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "shuffletest" "4" 170: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 170: Environment variables: 170: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 170: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 170: Test timeout computed to be: 1500 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1 168: ref = S=C(N[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)Nc1ccc(cn1)Br 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_19_spec1.mol 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12 168: ref = O1[C@@H]2[C@H]1[C@@H]1c3c([C@H]2c2c1cccc2)cccc3 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 170: ref = C[C@@H]1[C@@H](C)CCC[C@H]1C 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 170: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_19_spec2.mol 168: ==================== start doRoundtrip ========================= 170: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: C(C/N=C\c1ccccc1)/N=C/c1ccccc1 168: ref = N(=C\c1ccccc1)\CC/N=C/c1ccccc1 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_19_spec3.mol 170: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_19_spec4.mol 170: ref = C[C@@H]1[C@H](C)CCC[C@H]1C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_19_spec5.mol 170: ref = C[C@@H]1[C@H](C)CCC[C@H]1C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_20_spec1.mol 170: ref = C[C@H]1[C@H](C)CC[C@@H]([C@@H]1C)C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_26_spec1.mol 170: ref = C[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)C 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_59_spec1.mol 170: ref = C[C@@H]1C[C@]2(C[C@H]1C)C[C@H]([C@H](C2)C)C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: O=C(CCCC(=O)N/N=C(/C)\c1ccccc1)N/N=C(\C)/c1ccccc1 168: ref = O=C(N/N=C(\c1ccccc1)/C)CCCC(=O)N/N=C(/c1ccccc1)\C 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_30.mol 170: ref = C/C=C/C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_34.mol 170: ref = C/C=C/C(/C=C/C)C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_35.mol 170: ref = C/C=C/C=C/C 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_36.mol 170: ref = CC(/C=C/C(O)C)O 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_37.mol 170: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_38.mol 170: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 170: True Shuffling: stereo/razinger_fig7_39.mol 170: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F 170: ==================== start doRoundtrip ========================= 170: ==================== end doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C 168: ref = C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 165/333 Test #170: test_shuffle_4 ...................................................................................... Passed 0.14 sec test 171 Start 171: test_shuffle_5 171: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "shuffletest" "5" 171: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 171: Environment variables: 171: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 171: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 171: Test timeout computed to be: 1500 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1 168: ref = OC[C@@H](COP1(=O)O[Pt@]2(O1)N[C@@H]1[C@@H](N2)CCCC1)O 168: ==================== start doRoundtrip ========================= 171: True Shuffling: stereo/canon1.mol 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: n1ccc(cc1)C12C[C@H]3C[C@H](C[C@H](C3)C2)C1 168: ref = C1[C@@H]2C[C@@H]3C[C@H]1CC(C2)(C3)c1ccncc1 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82 168: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12 168: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: ==================== start doRoundtrip ========================= 171: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C canon1 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon2.mol 171: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C canon2 171: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: stereo/incorrect_canon1.mol 168: ref = CC1CCC2(CC1)CCCCC2 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 168: True Shuffling: stereo/incorrect_canon2.mol 168: ref = C1CCC2C(C1)CC1(C2)CCC1 168: ==================== start doRoundtrip ========================= 168: ==================== end doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon3.mol 171: ref = C[C@@H]1CC[C@H](CC1)C canon3 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon4.mol 171: ref = C[C@@H]1CC[C@@H](CC1)C canon4 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon5.mol 171: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C canon5 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon6.mol 171: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O canon6 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon7.mol 166/333 Test #168: test_shuffle_2 ...................................................................................... Passed 1.06 sec 171: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O canon7 test 172 Start 172: test_smiles_1 172: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "smilestest" "1" 172: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 172: Environment variables: 172: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 172: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 172: Test timeout computed to be: 1500 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon8.mol 171: ref = C[C@]12CCCC[C@]2(C)CCCC1 canon8 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon9.mol 172: testTetrahedralStereo1() 171: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C canon9 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon10.mol 171: ref = C[C@@H]1[C@@H]([C@@H]1C)C canon10 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon11.mol 171: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C canon11 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon12.mol 171: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C canon12 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon13.mol 171: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C canon13 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon14.mol 171: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O canon14 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon15.mol 171: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C canon15 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon16.mol 171: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C canon16 172: smiles: C[C@H](O)N 172: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise) 172: 172: Testing generic smiles <-> canonical smiles 172: smiles: C[C@H](O)N 172: mol.NumAtoms = 4 172: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise) 172: canSmiles: C[C@H](O)N 172: mol.NumAtoms = 4 172: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise) 172: . 172: 172: Testing generic smiles <-> canonical smiles 172: smiles: Cl[C@@](CCl)(I)Br 172: mol.NumAtoms = 6 172: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise) 172: canSmiles: ClC[C@](I)(Br)Cl 172: mol.NumAtoms = 6 172: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise) 172: . 172: 172: Testing generic smiles <-> canonical smiles 172: smiles: Cl/C=C/F 172: mol.NumAtoms = 4 172: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U) 172: canSmiles: F/C=C/Cl 172: mol.NumAtoms = 4 172: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U) 172: . 172: 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon17.mol 171: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C canon17 167/333 Test #172: test_smiles_1 ....................................................................................... Passed 0.09 sec test 173 Start 173: test_smiles_2 173: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "smilestest" "2" 173: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 173: Environment variables: 173: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 173: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 173: Test timeout computed to be: 1500 173: Testing generic smiles <-> canonical smiles 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon18.mol 171: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C canon18 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon19.mol 171: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C canon19 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon19.mol 171: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C canon19 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon20.mol 171: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O canon20 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon21.mol 171: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C canon21 173: smiles: F[Po@SP1](Cl)(Br)I 173: mol.NumAtoms = 5 173: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U) 173: canSmiles: F[Po@SP1](I)(Br)Cl 173: mol.NumAtoms = 5 173: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U) 173: . 173: 173: Testing generic smiles <-> canonical smiles 173: smiles: F[Po@SP2](Br)(Cl)I 173: mol.NumAtoms = 5 173: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U) 173: canSmiles: F[Po@SP1](I)(Br)Cl 173: mol.NumAtoms = 5 173: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U) 173: . 173: 173: Testing generic smiles <-> canonical smiles 173: smiles: F[Po@SP3](Cl)(I)Br 173: mol.NumAtoms = 5 173: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U) 173: canSmiles: F[Po@SP1](I)(Br)Cl 173: mol.NumAtoms = 5 173: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U) 173: . 173: 168/333 Test #173: test_smiles_2 ....................................................................................... Passed 0.11 sec test 174 Start 174: test_smiles_3 174: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "smilestest" "3" 174: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 174: Environment variables: 174: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 174: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 174: Test timeout computed to be: 1500 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon22.mol 171: ref = C[C@@H]1[C@@H]([C@@H]1C)C canon22 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon23.mol 171: ref = C[C@@H]1[C@H]([C@@H]1C)C canon23 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon24.mol 174: Testing generic smiles <-> canonical smiles 171: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans1.mol 171: ref = C/C=C\C[C@H](C/C=C/C)C 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans2.mol 171: ref = C/C=C/C[C@H](C/C=C/C)C 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans3.mol 171: ref = C/C=C/1\CC/C(=C\C)/CC1 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans4.mol 171: ref = C/C=C/1\CC/C(=C/C)/CC1 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans5.mol 171: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans6.mol 171: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans7.mol 171: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans8.mol 171: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C 174: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO 174: mol.NumAtoms = 19 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U) 174: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O 174: mol.NumAtoms = 19 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1 174: mol.NumAtoms = 12 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise) 174: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O 174: mol.NumAtoms = 12 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2 171: ==================== start doRoundtrip ========================= 174: mol.NumAtoms = 23 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise) 174: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC 174: mol.NumAtoms = 23 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C 174: mol.NumAtoms = 18 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U) 174: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C 174: mol.NumAtoms = 18 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise) 174: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: CC[C@H](O1)CC[C@@]12CCCO2 174: mol.NumAtoms = 11 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2 174: mol.NumAtoms = 11 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: CN1CCC[C@H]1c2cccnc2 174: mol.NumAtoms = 12 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise) 174: canSmiles: CN1CCC[C@H]1c1cccnc1 174: mol.NumAtoms = 12 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2 174: mol.NumAtoms = 11 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise) 174: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C 174: mol.NumAtoms = 11 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O 174: mol.NumAtoms = 21 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise) 174: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C 174: mol.NumAtoms = 21 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N 174: mol.NumAtoms = 17 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise) 174: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O 174: mol.NumAtoms = 17 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise) 174: . 174: 174: Testing generic smiles <-> canonical smiles 174: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl 174: mol.NumAtoms = 31 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C 174: mol.NumAtoms = 31 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise) 174: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise) 174: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise) 174: . 174: 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans9.mol 171: ref = C/C=C/1\C(=C\C)\C1=C/C 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans15.mol 171: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C 169/333 Test #174: test_smiles_3 ....................................................................................... Passed 0.10 sec 171: ==================== start doRoundtrip ========================= test 175 Start 175: test_spectrophore_1 175: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "spectrophoretest" "1" 175: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 175: Environment variables: 175: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 175: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 175: Test timeout computed to be: 1500 171: ==================== end doRoundtrip ========================= 171: True Shuffling: stereo/canon_cistrans16.mol 171: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C 171: ==================== start doRoundtrip ========================= 171: ==================== end doRoundtrip ========================= 170/333 Test #171: test_shuffle_5 ...................................................................................... Passed 0.45 sec test 176 Start 176: test_spectrophore_2 176: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "spectrophoretest" "2" 176: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 176: Environment variables: 176: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 176: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 176: Test timeout computed to be: 1500 171/333 Test #176: test_spectrophore_2 ................................................................................. Passed 0.06 sec test 177 Start 177: test_spectrophore_3 177: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "spectrophoretest" "3" 177: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 177: Environment variables: 177: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 177: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 177: Test timeout computed to be: 1500 172/333 Test #177: test_spectrophore_3 ................................................................................. Passed 0.04 sec test 178 Start 178: test_spectrophore_4 178: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "spectrophoretest" "4" 178: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 178: Environment variables: 178: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 178: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 178: Test timeout computed to be: 1500 173/333 Test #178: test_spectrophore_4 ................................................................................. Passed 0.08 sec test 179 Start 179: test_spectrophore_5 179: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "spectrophoretest" "5" 179: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 179: Environment variables: 179: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 179: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 179: Test timeout computed to be: 1500 174/333 Test #179: test_spectrophore_5 ................................................................................. Passed 0.08 sec test 180 Start 180: test_squareplanar_1 180: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "squareplanartest" "1" 180: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 180: Environment variables: 180: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 180: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 180: Test timeout computed to be: 1500 180: end 175/333 Test #180: test_squareplanar_1 ................................................................................. Passed 0.01 sec test 181 Start 181: test_squareplanar_2 181: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "squareplanartest" "2" 181: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 181: Environment variables: 181: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 181: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 181: Test timeout computed to be: 1500 181: end 176/333 Test #181: test_squareplanar_2 ................................................................................. Passed 0.02 sec test 182 Start 182: test_squareplanar_3 182: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "squareplanartest" "3" 182: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 182: Environment variables: 182: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 182: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 182: Test timeout computed to be: 1500 182: This error can be ignored 182: ============================== 182: *** Open Babel Error in SetConfig 182: OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4. 182: end 177/333 Test #182: test_squareplanar_3 ................................................................................. Passed 0.01 sec test 183 Start 183: test_squareplanar_4 183: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "squareplanartest" "4" 183: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 183: Environment variables: 183: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 183: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 183: Test timeout computed to be: 1500 183: end 178/333 Test #183: test_squareplanar_4 ................................................................................. Passed 0.01 sec test 184 Start 184: test_squareplanar_5 184: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "squareplanartest" "5" 184: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 184: Environment variables: 184: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 184: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 184: Test timeout computed to be: 1500 184: end 179/333 Test #184: test_squareplanar_5 ................................................................................. Passed 0.01 sec test 185 Start 185: test_stereo_1 185: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereotest" "1" 185: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 185: Environment variables: 185: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 185: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 185: Test timeout computed to be: 1500 180/333 Test #185: test_stereo_1 ....................................................................................... Passed 0.01 sec test 186 Start 186: test_stereo_2 186: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereotest" "2" 186: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 186: Environment variables: 186: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 186: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 186: Test timeout computed to be: 1500 181/333 Test #186: test_stereo_2 ....................................................................................... Passed 0.01 sec test 187 Start 187: test_stereo_3 187: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereotest" "3" 187: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 187: Environment variables: 187: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 187: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 187: Test timeout computed to be: 1500 182/333 Test #187: test_stereo_3 ....................................................................................... Passed 0.01 sec test 188 Start 188: test_stereo_4 188: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereotest" "4" 188: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 188: Environment variables: 188: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 188: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 188: Test timeout computed to be: 1500 183/333 Test #188: test_stereo_4 ....................................................................................... Passed 0.02 sec test 189 Start 189: test_stereo_5 189: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereotest" "5" 189: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 189: Environment variables: 189: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 189: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 189: Test timeout computed to be: 1500 184/333 Test #189: test_stereo_5 ....................................................................................... Passed 0.01 sec test 190 Start 190: test_stereo_6 190: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereotest" "6" 190: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 190: Environment variables: 190: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 190: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 190: Test timeout computed to be: 1500 190: structure perception1 190: structure perception2 190: structure perception3 190: structure perception4 190: structure perception5 190: structure perception6 190: structure perception7 190: structure perception8 190: structure perception9 190: structure perception10 190: structure perception11 190: structure perception12 190: structure perception13 190: structure perception14 190: structure perception15 190: structure perception16 190: structure perception17 190: structure perception18 190: structure perception19 190: structure perception20 190: Razinger paper, fig. 1: structure a 190: Razinger paper, fig. 1: structure b 190: Razinger paper, fig. 1: structure c 190: Razinger paper, fig. 1: structure d 190: Razinger paper, fig. 1: structure e 190: Razinger paper, fig. 1: structure f 190: Razinger paper, fig. 1: structure g 190: Razinger paper, fig. 1: structure h 190: Razinger paper, fig. 1: structure i 190: Razinger paper, fig. 1: structure j 190: Razinger paper, fig. 1: structure k 190: Razinger paper, fig. 1: structure l 190: Razinger paper, fig. 1: structure m 190: Razinger paper, fig. 1: structure n 190: Razinger paper, fig. 1: structure o 190: Razinger paper, fig. 1: structure p 185/333 Test #190: test_stereo_6 ....................................................................................... Passed 0.47 sec test 191 Start 191: test_stereoperception_1 191: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereoperceptiontest" "1" 191: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 191: Environment variables: 191: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 191: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 191: Test timeout computed to be: 1500 191: N[C@H](F)O 191: 186/333 Test #191: test_stereoperception_1 ............................................................................. Passed 0.13 sec test 192 Start 192: test_stereoperception_2 192: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereoperceptiontest" "2" 192: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 192: Environment variables: 192: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 192: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 192: Test timeout computed to be: 1500 192: F/C=C/F 192: 187/333 Test #192: test_stereoperception_2 ............................................................................. Passed 0.12 sec test 193 Start 193: test_stereoperception_3 193: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereoperceptiontest" "3" 193: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 193: Environment variables: 193: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 193: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 193: Test timeout computed to be: 1500 193: F[C@@](I)(Br)Cl 193: 193: F[C@H](Br)Cl 193: 193: FC(Br)Cl 193: 193: FC(Br)Cl 193: 188/333 Test #193: test_stereoperception_3 ............................................................................. Passed 0.11 sec test 194 Start 194: test_stereoperception_4 194: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "stereoperceptiontest" "4" 194: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 194: Environment variables: 194: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 194: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 194: Test timeout computed to be: 1500 189/333 Test #175: test_spectrophore_1 ................................................................................. Passed 1.30 sec test 195 Start 195: test_tautomer_1 195: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "1" 195: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 195: Environment variables: 195: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 195: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 195: Test timeout computed to be: 1500 190/333 Test #194: test_stereoperception_4 ............................................................................. Passed 0.11 sec test 196 Start 196: test_tautomer_2 196: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "2" 196: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 196: Environment variables: 196: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 196: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 196: Test timeout computed to be: 1500 191/333 Test #195: test_tautomer_1 ..................................................................................... Passed 0.15 sec test 197 Start 197: test_tautomer_3 197: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "3" 197: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 197: Environment variables: 197: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 197: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 197: Test timeout computed to be: 1500 192/333 Test #196: test_tautomer_2 ..................................................................................... Passed 0.20 sec test 198 Start 198: test_tautomer_4 198: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "4" 198: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 198: Environment variables: 198: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 198: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 198: Test timeout computed to be: 1500 193/333 Test #198: test_tautomer_4 ..................................................................................... Passed 0.12 sec test 199 Start 199: test_tautomer_5 199: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "5" 199: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 199: Environment variables: 199: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 199: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 199: Test timeout computed to be: 1500 194/333 Test #197: test_tautomer_3 ..................................................................................... Passed 0.27 sec test 200 Start 200: test_tautomer_6 200: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "6" 200: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 200: Environment variables: 200: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 200: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 200: Test timeout computed to be: 1500 195/333 Test #199: test_tautomer_5 ..................................................................................... Passed 0.12 sec test 201 Start 201: test_tautomer_7 201: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "7" 201: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 201: Environment variables: 201: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 201: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 201: Test timeout computed to be: 1500 196/333 Test #200: test_tautomer_6 ..................................................................................... Passed 0.13 sec test 202 Start 202: test_tautomer_8 202: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "8" 202: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 202: Environment variables: 202: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 202: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 202: Test timeout computed to be: 1500 197/333 Test #201: test_tautomer_7 ..................................................................................... Passed 0.12 sec test 203 Start 203: test_tautomer_9 203: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "9" 203: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 203: Environment variables: 203: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 203: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 203: Test timeout computed to be: 1500 198/333 Test #202: test_tautomer_8 ..................................................................................... Passed 0.11 sec test 204 Start 204: test_tautomer_10 204: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "10" 204: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 204: Environment variables: 204: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 204: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 204: Test timeout computed to be: 1500 199/333 Test #203: test_tautomer_9 ..................................................................................... Passed 0.11 sec test 205 Start 205: test_tautomer_11 205: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "11" 205: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 205: Environment variables: 205: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 205: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 205: Test timeout computed to be: 1500 200/333 Test #204: test_tautomer_10 .................................................................................... Passed 0.12 sec test 206 Start 206: test_tautomer_12 206: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "12" 206: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 206: Environment variables: 206: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 206: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 206: Test timeout computed to be: 1500 201/333 Test #205: test_tautomer_11 .................................................................................... Passed 0.12 sec test 207 Start 207: test_tautomer_13 207: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "13" 207: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 207: Environment variables: 207: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 207: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 207: Test timeout computed to be: 1500 202/333 Test #206: test_tautomer_12 .................................................................................... Passed 0.12 sec test 208 Start 208: test_tautomer_14 208: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "14" 208: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 208: Environment variables: 208: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 208: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 208: Test timeout computed to be: 1500 203/333 Test #207: test_tautomer_13 .................................................................................... Passed 0.12 sec test 209 Start 209: test_tautomer_15 209: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "15" 209: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 209: Environment variables: 209: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 209: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 209: Test timeout computed to be: 1500 204/333 Test #208: test_tautomer_14 .................................................................................... Passed 0.12 sec test 210 Start 210: test_tautomer_16 210: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "16" 210: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 210: Environment variables: 210: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 210: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 210: Test timeout computed to be: 1500 205/333 Test #209: test_tautomer_15 .................................................................................... Passed 0.13 sec test 211 Start 211: test_tautomer_17 211: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "17" 211: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 211: Environment variables: 211: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 211: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 211: Test timeout computed to be: 1500 206/333 Test #210: test_tautomer_16 .................................................................................... Passed 0.15 sec test 212 Start 212: test_tautomer_18 212: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "18" 212: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 212: Environment variables: 212: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 212: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 212: Test timeout computed to be: 1500 207/333 Test #211: test_tautomer_17 .................................................................................... Passed 0.14 sec test 213 Start 213: test_tautomer_19 213: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "19" 213: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 213: Environment variables: 213: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 213: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 213: Test timeout computed to be: 1500 208/333 Test #212: test_tautomer_18 .................................................................................... Passed 0.12 sec test 214 Start 214: test_tautomer_20 214: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "20" 214: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 214: Environment variables: 214: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 214: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 214: Test timeout computed to be: 1500 209/333 Test #213: test_tautomer_19 .................................................................................... Passed 0.12 sec test 215 Start 215: test_tautomer_21 215: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "21" 215: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 215: Environment variables: 215: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 215: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 215: Test timeout computed to be: 1500 210/333 Test #214: test_tautomer_20 .................................................................................... Passed 0.11 sec test 216 Start 216: test_tautomer_22 216: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "22" 216: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 216: Environment variables: 216: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 216: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 216: Test timeout computed to be: 1500 211/333 Test #215: test_tautomer_21 .................................................................................... Passed 0.15 sec test 217 Start 217: test_tautomer_23 217: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "23" 217: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 217: Environment variables: 217: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 217: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 217: Test timeout computed to be: 1500 212/333 Test #216: test_tautomer_22 .................................................................................... Passed 0.12 sec test 218 Start 218: test_tautomer_24 218: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "24" 218: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 218: Environment variables: 218: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 218: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 218: Test timeout computed to be: 1500 213/333 Test #218: test_tautomer_24 .................................................................................... Passed 0.10 sec test 219 Start 219: test_tautomer_25 219: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "25" 219: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 219: Environment variables: 219: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 219: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 219: Test timeout computed to be: 1500 214/333 Test #217: test_tautomer_23 .................................................................................... Passed 0.15 sec test 220 Start 220: test_tautomer_26 220: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "26" 220: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 220: Environment variables: 220: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 220: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 220: Test timeout computed to be: 1500 215/333 Test #219: test_tautomer_25 .................................................................................... Passed 0.14 sec test 221 Start 221: test_tautomer_27 221: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "27" 221: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 221: Environment variables: 221: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 221: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 221: Test timeout computed to be: 1500 216/333 Test #220: test_tautomer_26 .................................................................................... Passed 0.12 sec test 222 Start 222: test_tautomer_28 222: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "28" 222: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 222: Environment variables: 222: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 222: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 222: Test timeout computed to be: 1500 217/333 Test #222: test_tautomer_28 .................................................................................... Passed 0.12 sec test 223 Start 223: test_tautomer_29 223: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tautomertest" "29" 223: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 223: Environment variables: 223: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 223: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 223: Test timeout computed to be: 1500 218/333 Test #221: test_tautomer_27 .................................................................................... Passed 0.14 sec test 224 Start 224: test_tetrahedral_1 224: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetrahedraltest" "1" 224: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 224: Environment variables: 224: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 224: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 224: Test timeout computed to be: 1500 219/333 Test #224: test_tetrahedral_1 .................................................................................. Passed 0.02 sec test 225 Start 225: test_tetrahedral_2 225: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetrahedraltest" "2" 225: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 225: Environment variables: 225: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 225: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 225: Test timeout computed to be: 1500 225: ============================== 225: *** Open Babel Error in SetConfig 225: OBTetrahedralStereo::SetConfig : center atom id is invalid. 225: ============================== 225: *** Open Babel Error in SetConfig 225: OBTetrahedralStereo::SetConfig : from/towards atom id is invalid. 225: ============================== 225: *** Open Babel Error in SetConfig 225: OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3. 220/333 Test #225: test_tetrahedral_2 .................................................................................. Passed 0.02 sec test 226 Start 226: test_tetrahedral_3 226: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetrahedraltest" "3" 226: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 226: Environment variables: 226: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 226: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 226: Test timeout computed to be: 1500 221/333 Test #226: test_tetrahedral_3 .................................................................................. Passed 0.01 sec test 227 Start 227: test_tetrahedral_4 227: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetrahedraltest" "4" 227: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 227: Environment variables: 227: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 227: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 227: Test timeout computed to be: 1500 222/333 Test #227: test_tetrahedral_4 .................................................................................. Passed 0.01 sec test 228 Start 228: test_tetrahedral_5 228: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetrahedraltest" "5" 228: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 228: Environment variables: 228: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 228: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 228: Test timeout computed to be: 1500 228: ============================== 228: *** Open Babel Error in ToConfig 228: OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct. 223/333 Test #228: test_tetrahedral_5 .................................................................................. Passed 0.02 sec test 229 Start 229: test_tetranonplanar_1 229: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetranonplanartest" "1" 229: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 229: Environment variables: 229: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 229: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 229: Test timeout computed to be: 1500 224/333 Test #229: test_tetranonplanar_1 ............................................................................... Passed 0.01 sec test 230 Start 230: test_tetraplanar_1 230: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "tetraplanartest" "1" 230: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 230: Environment variables: 230: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 230: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 230: Test timeout computed to be: 1500 225/333 Test #230: test_tetraplanar_1 .................................................................................. Passed 0.02 sec test 231 Start 231: test_uniqueid_1 231: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "uniqueidtest" "1" 231: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 231: Environment variables: 231: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 231: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 231: Test timeout computed to be: 1500 226/333 Test #231: test_uniqueid_1 ..................................................................................... Passed 0.02 sec test 232 Start 232: test_uniqueid_2 232: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "uniqueidtest" "2" 232: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 232: Environment variables: 232: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 232: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 232: Test timeout computed to be: 1500 227/333 Test #232: test_uniqueid_2 ..................................................................................... Passed 0.02 sec test 233 Start 233: test_maereader_1 233: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "maereadertest" "1" 233: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 233: Environment variables: 233: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 233: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 233: Test timeout computed to be: 1500 228/333 Test #223: test_tautomer_29 .................................................................................... Passed 0.18 sec test 234 Start 234: test_maereader_2 234: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "maereadertest" "2" 234: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 234: Environment variables: 234: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 234: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 234: Test timeout computed to be: 1500 229/333 Test #233: test_maereader_1 .................................................................................... Passed 0.14 sec test 235 Start 235: origtest_aromatest_1 235: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "aromatest" "1" 235: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 235: Environment variables: 235: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 235: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 235: Test timeout computed to be: 1500 235: 230/333 Test #234: test_maereader_2 .................................................................................... Passed 0.12 sec test 236 Start 236: origtest_atom_1 236: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "atom" "1" 236: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 236: Environment variables: 236: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 236: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 236: Test timeout computed to be: 1500 236: # Unit tests for OBAtom 235: # Testing aromaticity perception... 231/333 Test #236: origtest_atom_1 ..................................................................................... Passed 0.02 sec test 237 Start 237: origtest_atom_2 237: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "atom" "2" 237: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 237: Environment variables: 237: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 237: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 237: Test timeout computed to be: 1500 237: # Unit tests for OBAtom 237: 0 237: 4294967295 237: ok 3 232/333 Test #237: origtest_atom_2 ..................................................................................... Passed 0.02 sec test 238 Start 238: origtest_atom_3 238: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "atom" "3" 238: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 238: Environment variables: 238: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 238: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 238: Test timeout computed to be: 1500 238: # Unit tests for OBAtom 238: 0 238: 255 238: 200 238: 44 238: ok 4 233/333 Test #238: origtest_atom_3 ..................................................................................... Passed 0.02 sec test 239 Start 239: origtest_atom_4 239: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "atom" "4" 239: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 239: Environment variables: 239: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 239: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 239: Test timeout computed to be: 1500 239: # Unit tests for OBAtom 239: ok 5 239: ok 6 234/333 Test #239: origtest_atom_4 ..................................................................................... Passed 0.03 sec test 240 Start 240: origtest_bond_1 240: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "bond" "1" 240: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 240: Environment variables: 240: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 240: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 240: Test timeout computed to be: 1500 240: # Unit tests for OBBond 240: ok 3 235/333 Test #240: origtest_bond_1 ..................................................................................... Passed 0.02 sec test 241 Start 241: origtest_cansmi_1 241: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cansmi" "1" 241: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 241: Environment variables: 241: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 241: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 241: Test timeout computed to be: 1500 235: ok 1 235: ok 2 235: ok 3 235: ok 4 235: ok 5 235: ok 6 235: ok 7 235: ok 8 235: ok 9 235: ok 10 235: ok 11 235: ok 12 235: ok 13 235: ok 14 235: ok 15 235: ok 16 235: ok 17 235: ok 18 235: ok 19 235: ok 20 235: ok 21 235: ok 22 235: ok 23 235: ok 24 235: ok 25 235: ok 26 235: ok 27 235: ok 28 235: ok 29 235: ok 30 235: ok 31 235: ok 32 235: ok 33 235: ok 34 235: ok 35 235: ok 36 235: ok 37 235: ok 38 235: ok 39 235: ok 40 235: ok 41 235: ok 42 235: ok 43 235: ok 44 235: ok 45 235: ok 46 235: ok 47 235: ok 48 235: ok 49 235: ok 50 235: ok 51 235: ok 52 235: ok 53 235: ok 54 235: ok 55 235: ok 56 235: ok 57 235: ok 58 235: ok 59 235: ok 60 235: ok 61 235: ok 62 235: ok 63 235: ok 64 235: ok 65 235: ok 66 235: ok 67 235: ok 68 235: ok 69 235: ok 70 235: ok 71 235: ok 72 235: ok 73 235: ok 74 235: ok 75 235: ok 76 235: ok 77 235: ok 78 235: ok 79 235: ok 80 235: ok 81 235: ok 82 235: ok 83 235: ok 84 235: ok 85 235: ok 86 235: ok 87 235: ok 88 235: ok 89 235: ok 90 235: ok 91 235: ok 92 235: ok 93 235: ok 94 235: ok 95 235: ok 96 235: ok 97 235: ok 98 235: ok 99 235: ok 100 235: ok 101 235: ok 102 235: ok 103 235: ok 104 235: ok 105 235: ok 106 235: ok 107 235: ok 108 235: ok 109 235: ok 110 235: ok 111 235: ok 112 235: ok 113 235: ok 114 235: ok 115 235: ok 116 235: ok 117 235: ok 118 235: ok 119 235: ok 120 235: ok 121 235: ok 122 235: ok 123 235: ok 124 235: ok 125 235: ok 126 235: ok 127 235: ok 128 235: ok 129 235: ok 130 235: ok 131 235: ok 132 235: ok 133 235: ok 134 235: ok 135 235: ok 136 235: ok 137 235: ok 138 235: ok 139 235: ok 140 235: ok 141 235: ok 142 235: ok 143 235: ok 144 235: ok 145 235: ok 146 235: ok 147 235: ok 148 235: ok 149 235: ok 150 235: ok 151 235: ok 152 235: ok 153 235: ok 154 235: ok 155 235: ok 156 235: ok 157 235: ok 158 235: ok 159 235: ok 160 235: ok 161 235: ok 162 235: ok 163 235: ok 164 235: ok 165 235: ok 166 235: ok 167 235: ok 168 235: ok 169 235: ok 170 235: ok 171 235: ok 172 235: ok 173 235: ok 174 235: ok 175 235: ok 176 235: ok 177 235: ok 178 235: ok 179 235: ok 180 235: ok 181 235: ok 182 235: ok 183 235: ok 184 235: ok 185 235: ok 186 235: ok 187 235: ok 188 235: ok 189 235: ok 190 235: ok 191 235: ok 192 235: ok 193 235: ok 194 235: ok 195 235: ok 196 235: ok 197 235: ok 198 235: ok 199 235: ok 200 235: ok 201 235: ok 202 235: ok 203 235: ok 204 235: ok 205 235: ok 206 235: ok 207 235: ok 208 235: ok 209 235: ok 210 235: ok 211 235: ok 212 235: ok 213 235: ok 214 235: ok 215 235: ok 216 235: ok 217 235: ok 218 235: ok 219 235: ok 220 235: ok 221 235: ok 222 235: ok 223 235: ok 224 235: ok 225 235: ok 226 235: ok 227 235: ok 228 235: ok 229 235: ok 230 235: ok 231 235: ok 232 235: ok 233 235: ok 234 235: ok 235 235: ok 236 235: ok 237 235: ok 238 235: ok 239 235: ok 240 235: ok 241 235: ok 242 235: ok 243 235: ok 244 235: ok 245 235: ok 246 235: ok 247 235: ok 248 235: ok 249 235: ok 250 235: ok 251 235: ok 252 235: ok 253 235: ok 254 235: ok 255 235: ok 256 235: ok 257 235: ok 258 235: ok 259 235: ok 260 235: ok 261 235: ok 262 235: ok 263 235: ok 264 235: ok 265 235: ok 266 235: ok 267 235: ok 268 235: ok 269 235: ok 270 235: ok 271 235: ok 272 235: ok 273 235: ok 274 235: ok 275 235: ok 276 235: ok 277 235: ok 278 235: ok 279 235: ok 280 235: ok 281 235: ok 282 235: ok 283 235: ok 284 235: ok 285 235: ok 286 235: ok 287 235: ok 288 235: ok 289 235: ok 290 235: ok 291 235: ok 292 235: ok 293 235: ok 294 235: ok 295 235: ok 296 235: ok 297 235: ok 298 235: ok 299 235: ok 300 235: ok 301 235: ok 302 235: ok 303 235: ok 304 235: ok 305 235: ok 306 235: ok 307 235: ok 308 235: ok 309 235: ok 310 235: ok 311 235: ok 312 235: ok 313 235: ok 314 235: ok 315 235: ok 316 235: ok 317 235: ok 318 235: ok 319 235: ok 320 235: ok 321 235: ok 322 235: ok 323 235: ok 324 235: ok 325 235: ok 326 235: ok 327 235: ok 328 235: ok 329 235: ok 330 235: ok 331 235: ok 332 235: ok 333 235: ok 334 235: ok 335 235: ok 336 235: ok 337 235: ok 338 235: ok 339 235: ok 340 235: ok 341 235: ok 342 235: ok 343 235: ok 344 235: ok 345 235: ok 346 235: ok 347 235: ok 348 235: ok 349 235: ok 350 235: ok 351 235: ok 352 235: ok 353 235: ok 354 235: ok 355 235: ok 356 235: ok 357 235: ok 358 235: ok 359 235: ok 360 235: ok 361 235: ok 362 235: ok 363 235: ok 364 235: ok 365 235: ok 366 235: ok 367 235: ok 368 235: ok 369 235: ok 370 235: ok 371 235: ok 372 235: ok 373 235: ok 374 235: ok 375 235: ok 376 235: ok 377 235: ok 378 235: ok 379 235: ok 380 235: ok 381 235: ok 382 235: ok 383 235: ok 384 235: ok 385 235: ok 386 235: ok 387 235: ok 388 235: ok 389 235: ok 390 235: ok 391 235: ok 392 235: ok 393 235: ok 394 235: ok 395 235: ok 396 235: ok 397 235: ok 398 235: ok 399 235: ok 400 235: ok 401 235: ok 402 235: ok 403 235: ok 404 235: ok 405 235: ok 406 235: ok 407 235: ok 408 235: ok 409 235: ok 410 235: ok 411 235: ok 412 235: ok 413 235: ok 414 235: ok 415 235: ok 416 235: ok 417 235: ok 418 235: ok 419 235: ok 420 235: ok 421 235: ok 422 235: ok 423 235: ok 424 235: ok 425 235: ok 426 235: ok 427 235: ok 428 235: ok 429 235: ok 430 235: ok 431 235: ok 432 235: ok 433 235: ok 434 235: ok 435 235: ok 436 235: ok 437 235: ok 438 235: ok 439 235: ok 440 235: ok 441 235: ok 442 235: ok 443 235: ok 444 235: ok 445 235: ok 446 235: ok 447 235: ok 448 235: ok 449 235: ok 450 235: ok 451 235: ok 452 235: ok 453 235: ok 454 235: ok 455 235: ok 456 235: ok 457 235: ok 458 235: ok 459 235: ok 460 235: ok 461 235: ok 462 235: ok 463 235: ok 464 235: ok 465 235: ok 466 235: ok 467 235: ok 468 235: ok 469 235: ok 470 235: ok 471 235: ok 472 235: ok 473 235: ok 474 235: ok 475 235: ok 476 235: ok 477 235: ok 478 235: ok 479 235: ok 480 235: ok 481 235: ok 482 235: ok 483 235: ok 484 235: ok 485 235: ok 486 235: ok 487 235: ok 488 235: ok 489 235: ok 490 235: ok 491 235: ok 492 235: ok 493 235: ok 494 235: ok 495 235: ok 496 235: ok 497 235: ok 498 235: ok 499 235: ok 500 235: ok 501 235: ok 502 235: ok 503 235: ok 504 235: ok 505 235: ok 506 235: ok 507 235: ok 508 235: ok 509 235: ok 510 235: ok 511 235: ok 512 235: ok 513 235: ok 514 235: ok 515 235: ok 516 235: ok 517 235: ok 518 235: ok 519 235: ok 520 235: ok 521 235: ok 522 235: ok 523 235: ok 524 235: ok 525 235: ok 526 235: ok 527 235: ok 528 235: ok 529 235: ok 530 235: ok 531 235: ok 532 235: ok 533 235: ok 534 235: ok 535 235: ok 536 235: ok 537 235: ok 538 235: ok 539 235: ok 540 235: ok 541 235: ok 542 235: ok 543 235: ok 544 235: ok 545 235: ok 546 235: ok 547 235: ok 548 235: ok 549 235: ok 550 235: ok 551 235: ok 552 235: ok 553 235: ok 554 235: ok 555 235: ok 556 235: ok 557 235: ok 558 235: ok 559 235: ok 560 235: ok 561 235: ok 562 235: ok 563 235: ok 564 235: ok 565 235: ok 566 235: ok 567 235: ok 568 235: ok 569 235: ok 570 235: ok 571 235: ok 572 235: ok 573 235: ok 574 235: ok 575 235: ok 576 235: ok 577 235: ok 578 235: ok 579 235: ok 580 235: ok 581 235: ok 582 235: ok 583 235: ok 584 235: ok 585 235: ok 586 235: ok 587 235: ok 588 235: ok 589 235: ok 590 235: ok 591 235: ok 592 235: ok 593 235: ok 594 235: ok 595 235: ok 596 235: ok 597 235: ok 598 235: ok 599 235: ok 600 235: ok 601 235: ok 602 235: ok 603 235: ok 604 235: ok 605 235: ok 606 235: ok 607 235: ok 608 235: ok 609 235: ok 610 235: ok 611 235: ok 612 235: ok 613 235: ok 614 235: ok 615 235: ok 616 235: ok 617 235: ok 618 235: ok 619 235: ok 620 235: ok 621 235: ok 622 235: ok 623 235: ok 624 235: ok 625 235: ok 626 235: ok 627 235: ok 628 235: ok 629 235: ok 630 235: ok 631 235: ok 632 235: ok 633 235: ok 634 235: ok 635 235: ok 636 235: ok 637 235: ok 638 235: ok 639 235: ok 640 235: ok 641 235: ok 642 235: ok 643 235: ok 644 235: ok 645 235: ok 646 235: ok 647 235: ok 648 235: ok 649 235: ok 650 235: ok 651 235: ok 652 235: ok 653 235: ok 654 235: ok 655 235: ok 656 235: ok 657 235: ok 658 235: ok 659 235: ok 660 235: ok 661 235: ok 662 235: ok 663 235: ok 664 235: ok 665 235: ok 666 235: ok 667 235: ok 668 235: ok 669 235: ok 670 235: ok 671 235: ok 672 235: ok 673 235: ok 674 235: ok 675 235: ok 676 235: ok 677 235: ok 678 235: ok 679 235: ok 680 235: ok 681 235: ok 682 235: ok 683 235: ok 684 235: ok 685 235: ok 686 235: ok 687 235: ok 688 235: ok 689 235: ok 690 235: ok 691 235: ok 692 235: ok 693 235: ok 694 235: ok 695 235: ok 696 235: ok 697 235: ok 698 235: ok 699 235: ok 700 235: ok 701 235: ok 702 235: ok 703 235: ok 704 235: ok 705 235: ok 706 235: ok 707 235: ok 708 235: ok 709 235: ok 710 241: 236/333 Test #235: origtest_aromatest_1 ................................................................................ Passed 0.15 sec test 242 Start 242: origtest_charge_mmff94_1 242: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "charge_mmff94" "1" 242: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 242: Environment variables: 242: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 242: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 242: Test timeout computed to be: 1500 242: # Testing MMFF94 Charge Model... 241: # Testing Canonical SMILES Generation ... 241: ok 1 # number of heavy atoms match 241: ok 2 # number of heavy atoms match 241: ok 3 # number of heavy atoms match 241: ok 4 # number of heavy atoms match 241: ok 5 # number of heavy atoms match 241: ok 6 # number of heavy atoms match 241: ok 7 # number of heavy atoms match 241: ok 8 # number of heavy atoms match 241: ok 9 # number of heavy atoms match 241: ok 10 # number of heavy atoms match 241: ok 11 # number of heavy atoms match 241: ok 12 # number of heavy atoms match 241: ok 13 # number of heavy atoms match 241: ok 14 # number of heavy atoms match 241: ok 15 # number of heavy atoms match 241: ok 16 # number of heavy atoms match 241: ok 17 # number of heavy atoms match 241: ok 18 # number of heavy atoms match 241: ok 19 # number of heavy atoms match 241: ok 20 # number of heavy atoms match 241: ok 21 # number of heavy atoms match 241: ok 22 # number of heavy atoms match 241: ok 23 # number of heavy atoms match 241: ok 24 # number of heavy atoms match 241: ok 25 # number of heavy atoms match 241: ok 26 # number of heavy atoms match 241: ok 27 # number of heavy atoms match 241: ok 28 # number of heavy atoms match 241: ok 29 # number of heavy atoms match 241: ok 30 # number of heavy atoms match 241: ok 31 # number of heavy atoms match 241: ok 32 # number of heavy atoms match 241: ok 33 # number of heavy atoms match 241: ok 34 # number of heavy atoms match 241: ok 35 # number of heavy atoms match 241: ok 36 # number of heavy atoms match 241: ok 37 # number of heavy atoms match 241: ok 38 # number of heavy atoms match 241: ok 39 # number of heavy atoms match 241: ok 40 # number of heavy atoms match 241: ok 41 # number of heavy atoms match 241: ok 42 # number of heavy atoms match 241: ok 43 # number of heavy atoms match 241: ok 44 # number of heavy atoms match 241: ok 45 # number of heavy atoms match 241: ok 46 # number of heavy atoms match 241: ok 47 # number of heavy atoms match 241: ok 48 # number of heavy atoms match 241: ok 49 # number of heavy atoms match 241: ok 50 # number of heavy atoms match 241: ok 51 # number of heavy atoms match 241: ok 52 # number of heavy atoms match 241: ok 53 # number of heavy atoms match 241: ok 54 # number of heavy atoms match 241: ok 55 # number of heavy atoms match 241: ok 56 # number of heavy atoms match 241: ok 57 # number of heavy atoms match 241: ok 58 # number of heavy atoms match 241: ok 59 # number of heavy atoms match 241: ok 60 # number of heavy atoms match 241: ok 61 # number of heavy atoms match 241: ok 62 # number of heavy atoms match 241: ok 63 # number of heavy atoms match 241: ok 64 # number of heavy atoms match 241: ok 65 # number of heavy atoms match 241: ok 66 # number of heavy atoms match 241: ok 67 # number of heavy atoms match 241: ok 68 # number of heavy atoms match 241: ok 69 # number of heavy atoms match 241: ok 70 # number of heavy atoms match 241: ok 71 # number of heavy atoms match 241: ok 72 # number of heavy atoms match 241: ok 73 # number of heavy atoms match 241: ok 74 # number of heavy atoms match 241: ok 75 # number of heavy atoms match 241: ok 76 # number of heavy atoms match 241: ok 77 # number of heavy atoms match 241: ok 78 # number of heavy atoms match 241: ok 79 # number of heavy atoms match 241: ok 80 # number of heavy atoms match 241: ok 81 # number of heavy atoms match 241: ok 82 # number of heavy atoms match 241: ok 83 # number of heavy atoms match 241: ok 84 # number of heavy atoms match 241: ok 85 # number of heavy atoms match 241: ok 86 # number of heavy atoms match 241: ok 87 # number of heavy atoms match 241: ok 88 # number of heavy atoms match 241: ok 89 # number of heavy atoms match 241: ok 90 # number of heavy atoms match 241: ok 91 # number of heavy atoms match 241: ok 92 # number of heavy atoms match 241: ok 93 # number of heavy atoms match 241: ok 94 # number of heavy atoms match 241: ok 95 # number of heavy atoms match 241: ok 96 # number of heavy atoms match 241: ok 97 # number of heavy atoms match 241: ok 98 # number of heavy atoms match 241: ok 99 # number of heavy atoms match 241: ok 100 # number of heavy atoms match 241: ok 101 # number of heavy atoms match 241: ok 102 # number of heavy atoms match 241: ok 103 # number of heavy atoms match 241: ok 104 # number of heavy atoms match 241: ok 105 # number of heavy atoms match 241: ok 106 # number of heavy atoms match 241: ok 107 # number of heavy atoms match 241: ok 108 # number of heavy atoms match 241: ok 109 # number of heavy atoms match 241: ok 110 # number of heavy atoms match 241: ok 111 # number of heavy atoms match 241: ok 112 # number of heavy atoms match 241: ok 113 # number of heavy atoms match 241: ok 114 # number of heavy atoms match 241: ok 115 # number of heavy atoms match 241: ok 116 # number of heavy atoms match 241: ok 117 # number of heavy atoms match 241: ok 118 # number of heavy atoms match 241: ok 119 # number of heavy atoms match 241: ok 120 # number of heavy atoms match 241: ok 121 # number of heavy atoms match 241: ok 122 # number of heavy atoms match 241: ok 123 # number of heavy atoms match 241: ok 124 # number of heavy atoms match 241: ok 125 # number of heavy atoms match 241: ok 126 # number of heavy atoms match 241: ok 127 # number of heavy atoms match 241: ok 128 # number of heavy atoms match 241: ok 129 # number of heavy atoms match 241: ok 130 # number of heavy atoms match 241: ok 131 # number of heavy atoms match 241: ok 132 # number of heavy atoms match 241: ok 133 # number of heavy atoms match 241: ok 134 # number of heavy atoms match 241: ok 135 # number of heavy atoms match 241: ok 136 # number of heavy atoms match 241: ok 137 # number of heavy atoms match 241: ok 138 # number of heavy atoms match 241: ok 139 # number of heavy atoms match 241: ok 140 # number of heavy atoms match 241: ok 141 # number of heavy atoms match 241: ok 142 # number of heavy atoms match 241: ok 143 # number of heavy atoms match 241: ok 144 # number of heavy atoms match 241: ok 145 # number of heavy atoms match 241: ok 146 # number of heavy atoms match 241: ok 147 # number of heavy atoms match 241: ok 148 # number of heavy atoms match 241: ok 149 # number of heavy atoms match 241: ok 150 # number of heavy atoms match 241: ok 151 # number of heavy atoms match 241: ok 152 # number of heavy atoms match 241: ok 153 # number of heavy atoms match 241: ok 154 # number of heavy atoms match 241: ok 155 # number of heavy atoms match 241: ok 156 # number of heavy atoms match 241: ok 157 # number of heavy atoms match 241: ok 158 # number of heavy atoms match 241: ok 159 # number of heavy atoms match 241: ok 160 # number of heavy atoms match 241: ok 161 # number of heavy atoms match 241: ok 162 # number of heavy atoms match 241: ok 163 # number of heavy atoms match 241: ok 164 # number of heavy atoms match 241: ok 165 # number of heavy atoms match 241: ok 166 # number of heavy atoms match 241: ok 167 # number of heavy atoms match 241: ok 168 # number of heavy atoms match 241: ok 169 # number of heavy atoms match 241: ok 170 # number of heavy atoms match 241: ok 171 # number of heavy atoms match 241: ok 172 # number of heavy atoms match 241: ok 173 # number of heavy atoms match 241: ok 174 # number of heavy atoms match 241: ok 175 # number of heavy atoms match 241: ok 176 # number of heavy atoms match 241: ok 177 # number of heavy atoms match 241: ok 178 # number of heavy atoms match 241: ok 179 # number of heavy atoms match 241: ok 180 # number of heavy atoms match 241: ok 181 # number of heavy atoms match 241: ok 182 # number of heavy atoms match 241: ok 183 # number of heavy atoms match 241: ok 184 # number of heavy atoms match 241: ok 185 # number of heavy atoms match 241: ok 186 # number of heavy atoms match 241: ok 187 # number of heavy atoms match 241: ok 188 # number of heavy atoms match 241: ok 189 # number of heavy atoms match 241: ok 190 # number of heavy atoms match 241: ok 191 # number of heavy atoms match 241: ok 192 # number of heavy atoms match 241: ok 193 # number of heavy atoms match 241: ok 194 # number of heavy atoms match 241: ok 195 # number of heavy atoms match 241: ok 196 # number of heavy atoms match 241: ok 197 # number of heavy atoms match 241: ok 198 # number of heavy atoms match 241: ok 199 # number of heavy atoms match 241: ok 200 # number of heavy atoms match 241: ok 201 # number of heavy atoms match 241: ok 202 # number of heavy atoms match 241: ok 203 # number of heavy atoms match 241: ok 204 # number of heavy atoms match 241: ok 205 # number of heavy atoms match 241: ok 206 # number of heavy atoms match 241: ok 207 # number of heavy atoms match 241: ok 208 # number of heavy atoms match 241: ok 209 # number of heavy atoms match 241: ok 210 # number of heavy atoms match 241: ok 211 # number of heavy atoms match 241: ok 212 # number of heavy atoms match 241: ok 213 # number of heavy atoms match 241: ok 214 # number of heavy atoms match 241: ok 215 # number of heavy atoms match 241: ok 216 # number of heavy atoms match 241: ok 217 # number of heavy atoms match 241: ok 218 # number of heavy atoms match 241: ok 219 # number of heavy atoms match 241: ok 220 # number of heavy atoms match 241: ok 221 # number of heavy atoms match 241: ok 222 # number of heavy atoms match 241: ok 223 # number of heavy atoms match 241: ok 224 # number of heavy atoms match 241: ok 225 # number of heavy atoms match 241: ok 226 # number of heavy atoms match 241: ok 227 # number of heavy atoms match 241: ok 228 # number of heavy atoms match 241: ok 229 # number of heavy atoms match 241: ok 230 # number of heavy atoms match 241: ok 231 # number of heavy atoms match 241: ok 232 # number of heavy atoms match 241: ok 233 # number of heavy atoms match 241: ok 234 # number of heavy atoms match 241: ok 235 # number of heavy atoms match 241: ok 236 # number of heavy atoms match 241: ok 237 # number of heavy atoms match 241: ok 238 # number of heavy atoms match 241: ok 239 # number of heavy atoms match 241: ok 240 # number of heavy atoms match 241: ok 241 # number of heavy atoms match 241: ok 242 # number of heavy atoms match 241: ok 243 # number of heavy atoms match 241: ok 244 # number of heavy atoms match 241: ok 245 # number of heavy atoms match 241: ok 246 # number of heavy atoms match 241: ok 247 # number of heavy atoms match 241: ok 248 # number of heavy atoms match 241: ok 249 # number of heavy atoms match 241: ok 250 # number of heavy atoms match 241: ok 251 # number of heavy atoms match 241: ok 252 # number of heavy atoms match 241: ok 253 # number of heavy atoms match 241: ok 254 # number of heavy atoms match 241: ok 255 # number of heavy atoms match 241: ok 256 # number of heavy atoms match 241: ok 257 # number of heavy atoms match 241: ok 258 # number of heavy atoms match 241: ok 259 # number of heavy atoms match 241: ok 260 # number of heavy atoms match 241: ok 261 # number of heavy atoms match 241: ok 262 # number of heavy atoms match 241: ok 263 # number of heavy atoms match 241: ok 264 # number of heavy atoms match 241: ok 265 # number of heavy atoms match 241: ok 266 # number of heavy atoms match 241: ok 267 # number of heavy atoms match 241: ok 268 # number of heavy atoms match 241: ok 269 # number of heavy atoms match 241: ok 270 # number of heavy atoms match 241: ok 271 # number of heavy atoms match 241: ok 272 # number of heavy atoms match 241: ok 273 # number of heavy atoms match 241: ok 274 # number of heavy atoms match 241: ok 275 # number of heavy atoms match 241: ok 276 # number of heavy atoms match 241: ok 277 # number of heavy atoms match 241: ok 278 # number of heavy atoms match 241: ok 279 # number of heavy atoms match 241: ok 280 # number of heavy atoms match 241: ok 281 # number of heavy atoms match 241: ok 282 # number of heavy atoms match 241: ok 283 # number of heavy atoms match 241: ok 284 # number of heavy atoms match 241: ok 285 # number of heavy atoms match 241: ok 286 # number of heavy atoms match 241: ok 287 # number of heavy atoms match 241: ok 288 # number of heavy atoms match 241: ok 289 # number of heavy atoms match 241: ok 290 # number of heavy atoms match 241: ok 291 # number of heavy atoms match 241: ok 292 # number of heavy atoms match 241: ok 293 # number of heavy atoms match 241: ok 294 # number of heavy atoms match 241: ok 295 # number of heavy atoms match 241: ok 296 # number of heavy atoms match 241: ok 297 # number of heavy atoms match 241: ok 298 # number of heavy atoms match 241: ok 299 # number of heavy atoms match 241: ok 300 # number of heavy atoms match 241: ok 301 # number of heavy atoms match 241: ok 302 # number of heavy atoms match 241: ok 303 # number of heavy atoms match 241: ok 304 # number of heavy atoms match 241: ok 305 # number of heavy atoms match 241: ok 306 # number of heavy atoms match 241: ok 307 # number of heavy atoms match 241: ok 308 # number of heavy atoms match 241: ok 309 # number of heavy atoms match 241: ok 310 # number of heavy atoms match 241: ok 311 # number of heavy atoms match 241: ok 312 # number of heavy atoms match 241: ok 313 # number of heavy atoms match 241: ok 314 # number of heavy atoms match 241: ok 315 # number of heavy atoms match 241: ok 316 # number of heavy atoms match 241: ok 317 # number of heavy atoms match 241: ok 318 # number of heavy atoms match 241: ok 319 # number of heavy atoms match 241: ok 320 # number of heavy atoms match 241: ok 321 # number of heavy atoms match 241: ok 322 # number of heavy atoms match 241: ok 323 # number of heavy atoms match 241: ok 324 # number of heavy atoms match 241: ok 325 # number of heavy atoms match 241: ok 326 # number of heavy atoms match 241: ok 327 # number of heavy atoms match 241: ok 328 # number of heavy atoms match 241: ok 329 # number of heavy atoms match 241: ok 330 # number of heavy atoms match 241: ok 331 # number of heavy atoms match 241: ok 332 # number of heavy atoms match 241: ok 333 # number of heavy atoms match 242: ok 1 # dipole 242: ok 2 # charge 242: ok 3 # charge 242: ok 4 # charge 242: ok 5 # charge 242: ok 6 # charge 242: ok 7 # charge 242: ok 8 # charge 242: ok 9 # charge 242: ok 10 # charge 242: ok 11 # charge 242: ok 12 # charge 242: ok 13 # charge 242: ok 14 # charge 242: ok 15 # charge 242: ok 16 # charge 242: ok 17 # charge 242: ok 18 # charge 242: ok 19 # charge 242: ok 20 # charge 242: ok 21 # charge 242: ok 22 # charge 242: ok 23 # charge 242: ok 24 # charge 242: ok 25 # charge 242: ok 26 # charge 242: ok 27 # charge 242: ok 28 # charge 242: ok 29 # charge 242: ok 30 # charge 242: ok 31 # charge 242: ok 32 # charge 242: ok 33 # charge 242: ok 34 # charge 242: ok 35 # charge 242: ok 36 # charge 242: ok 37 # charge 242: ok 38 # charge 242: ok 39 # charge 242: ok 40 # charge 242: ok 41 # dipole 242: ok 42 # charge 242: ok 43 # charge 242: ok 44 # charge 242: ok 45 # charge 242: ok 46 # charge 242: ok 47 # charge 242: ok 48 # charge 242: ok 49 # dipole 242: ok 50 # charge 242: ok 51 # charge 242: ok 52 # charge 242: ok 53 # charge 242: ok 54 # charge 242: ok 55 # charge 242: ok 56 # charge 242: ok 57 # charge 242: ok 58 # charge 242: ok 59 # dipole 242: ok 60 # charge 242: ok 61 # charge 242: ok 62 # charge 242: ok 63 # charge 242: ok 64 # charge 242: ok 65 # charge 242: ok 66 # charge 242: ok 67 # charge 242: ok 68 # dipole 242: ok 69 # charge 242: ok 70 # charge 242: ok 71 # charge 242: ok 72 # charge 242: ok 73 # charge 242: ok 74 # charge 242: ok 75 # charge 242: ok 76 # charge 242: ok 77 # charge 242: ok 78 # charge 242: ok 79 # charge 242: ok 80 # charge 242: ok 81 # charge 242: ok 82 # dipole 242: ok 83 # charge 242: ok 84 # charge 242: ok 85 # charge 242: ok 86 # charge 242: ok 87 # charge 242: ok 88 # charge 242: ok 89 # charge 242: ok 90 # charge 242: ok 91 # charge 242: ok 92 # charge 242: ok 93 # charge 242: ok 94 # charge 242: ok 95 # charge 242: ok 96 # dipole 242: ok 97 # charge 242: ok 98 # charge 242: ok 99 # charge 242: ok 100 # charge 242: ok 101 # charge 242: ok 102 # charge 242: ok 103 # charge 242: ok 104 # charge 242: ok 105 # charge 242: ok 106 # charge 242: ok 107 # charge 242: ok 108 # charge 242: ok 109 # charge 242: ok 110 # charge 242: ok 111 # charge 242: ok 112 # charge 242: ok 113 # charge 242: ok 114 # charge 242: ok 115 # charge 242: ok 116 # charge 242: ok 117 # charge 242: ok 118 # charge 242: ok 119 # charge 242: ok 120 # charge 242: ok 121 # charge 242: ok 122 # charge 242: ok 123 # charge 242: ok 124 # charge 242: ok 125 # charge 242: ok 126 # charge 242: ok 127 # charge 242: ok 128 # charge 242: ok 129 # charge 242: ok 130 # charge 242: ok 131 # charge 242: ok 132 # charge 242: ok 133 # charge 242: ok 134 # charge 242: ok 135 # charge 242: ok 136 # charge 242: ok 137 # charge 242: ok 138 # charge 242: ok 139 # charge 242: ok 140 # charge 242: ok 141 # charge 242: ok 142 # charge 242: ok 143 # charge 242: ok 144 # charge 242: ok 145 # charge 242: ok 146 # charge 242: ok 147 # charge 242: ok 148 # charge 242: ok 149 # charge 242: ok 150 # charge 242: ok 151 # charge 242: ok 152 # charge 242: ok 153 # charge 242: ok 154 # charge 242: ok 155 # charge 242: ok 156 # charge 242: ok 157 # charge 242: ok 158 # charge 242: ok 159 # charge 242: ok 160 # charge 242: ok 161 # charge 242: ok 162 # dipole 242: ok 163 # charge 242: ok 164 # charge 242: ok 165 # charge 242: ok 166 # charge 242: ok 167 # charge 242: ok 168 # charge 242: ok 169 # charge 242: ok 170 # charge 242: ok 171 # charge 242: ok 172 # charge 242: ok 173 # charge 242: ok 174 # charge 242: ok 175 # charge 242: ok 176 # charge 242: ok 177 # charge 242: ok 178 # charge 242: ok 179 # charge 242: ok 180 # charge 242: ok 181 # charge 242: ok 182 # charge 242: ok 183 # charge 242: ok 184 # charge 242: ok 185 # charge 242: ok 186 # charge 242: ok 187 # dipole 242: ok 188 # charge 242: ok 189 # charge 242: ok 190 # charge 242: ok 191 # charge 242: ok 192 # charge 242: ok 193 # charge 242: ok 194 # charge 242: ok 195 # charge 242: ok 196 # charge 242: ok 197 # charge 242: ok 198 # charge 242: ok 199 # charge 242: ok 200 # charge 242: ok 201 # charge 242: ok 202 # charge 242: ok 203 # charge 242: ok 204 # charge 242: ok 205 # charge 242: ok 206 # charge 242: ok 207 # charge 242: ok 208 # charge 242: ok 209 # charge 242: ok 210 # charge 242: ok 211 # charge 242: ok 212 # charge 242: ok 213 # charge 242: ok 214 # charge 242: ok 215 # charge 242: ok 216 # charge 242: ok 217 # charge 242: ok 218 # charge 242: ok 219 # charge 242: ok 220 # charge 242: ok 221 # charge 242: ok 222 # charge 242: ok 223 # charge 242: ok 224 # charge 242: ok 225 # charge 242: ok 226 # charge 242: ok 227 # charge 242: ok 228 # charge 242: ok 229 # charge 242: ok 230 # charge 242: ok 231 # charge 242: ok 232 # charge 242: ok 233 # charge 242: ok 234 # charge 242: ok 235 # charge 242: ok 236 # charge 242: ok 237 # charge 242: ok 238 # charge 242: ok 239 # charge 242: ok 240 # charge 242: ok 241 # charge 242: ok 242 # charge 242: ok 243 # charge 242: ok 244 # charge 242: ok 245 # charge 242: ok 246 # charge 242: ok 247 # charge 242: ok 248 # dipole 242: ok 249 # charge 242: ok 250 # charge 242: ok 251 # charge 242: ok 252 # charge 242: ok 253 # charge 242: ok 254 # charge 242: ok 255 # charge 242: ok 256 # charge 242: ok 257 # charge 242: ok 258 # charge 242: ok 259 # charge 242: ok 260 # charge 242: ok 261 # charge 242: ok 262 # charge 241: ok 334 # number of heavy atoms match 241: ok 335 # number of heavy atoms match 241: ok 336 # number of heavy atoms match 241: ok 337 # number of heavy atoms match 241: ok 338 # number of heavy atoms match 241: ok 339 # number of heavy atoms match 241: ok 340 # number of heavy atoms match 241: ok 341 # number of heavy atoms match 241: ok 342 # number of heavy atoms match 241: ok 343 # number of heavy atoms match 241: ok 344 # number of heavy atoms match 241: ok 345 # number of heavy atoms match 241: ok 346 # number of heavy atoms match 241: ok 347 # number of heavy atoms match 241: ok 348 # number of heavy atoms match 241: ok 349 # number of heavy atoms match 241: ok 350 # number of heavy atoms match 241: ok 351 # number of heavy atoms match 241: ok 352 # number of heavy atoms match 241: ok 353 # number of heavy atoms match 241: ok 354 # number of heavy atoms match 241: ok 355 # number of heavy atoms match 241: ok 356 # number of heavy atoms match 241: ok 357 # number of heavy atoms match 241: ok 358 # number of heavy atoms match 241: ok 359 # number of heavy atoms match 241: ok 360 # number of heavy atoms match 241: ok 361 # number of heavy atoms match 241: ok 362 # number of heavy atoms match 241: ok 363 # number of heavy atoms match 241: ok 364 # number of heavy atoms match 241: ok 365 # number of heavy atoms match 241: ok 366 # number of heavy atoms match 241: ok 367 # number of heavy atoms match 241: ok 368 # number of heavy atoms match 241: ok 369 # number of heavy atoms match 241: ok 370 # number of heavy atoms match 241: ok 371 # number of heavy atoms match 241: ok 372 # number of heavy atoms match 241: ok 373 # number of heavy atoms match 241: ok 374 # number of heavy atoms match 241: ok 375 # number of heavy atoms match 241: ok 376 # number of heavy atoms match 241: ok 377 # number of heavy atoms match 241: ok 378 # number of heavy atoms match 241: ok 379 # number of heavy atoms match 241: ok 380 # number of heavy atoms match 241: ok 381 # number of heavy atoms match 241: ok 382 # number of heavy atoms match 241: ok 383 # number of heavy atoms match 241: ok 384 # number of heavy atoms match 241: ok 385 # number of heavy atoms match 241: ok 386 # number of heavy atoms match 241: ok 387 # number of heavy atoms match 241: ok 388 # number of heavy atoms match 241: ok 389 # number of heavy atoms match 241: ok 390 # number of heavy atoms match 241: ok 391 # number of heavy atoms match 241: ok 392 # number of heavy atoms match 241: ok 393 # number of heavy atoms match 241: ok 394 # number of heavy atoms match 241: ok 395 # number of heavy atoms match 241: ok 396 # number of heavy atoms match 241: ok 397 # number of heavy atoms match 241: ok 398 # number of heavy atoms match 241: ok 399 # number of heavy atoms match 241: ok 400 # number of heavy atoms match 241: ok 401 # number of heavy atoms match 241: ok 402 # number of heavy atoms match 241: ok 403 # number of heavy atoms match 241: ok 404 # number of heavy atoms match 241: ok 405 # number of heavy atoms match 241: ok 406 # number of heavy atoms match 241: ok 407 # number of heavy atoms match 241: ok 408 # number of heavy atoms match 241: ok 409 # number of heavy atoms match 241: ok 410 # number of heavy atoms match 241: ok 411 # number of heavy atoms match 241: ok 412 # number of heavy atoms match 241: ok 413 # number of heavy atoms match 241: ok 414 # number of heavy atoms match 241: ok 415 # number of heavy atoms match 241: ok 416 # number of heavy atoms match 241: ok 417 # number of heavy atoms match 241: ok 418 # number of heavy atoms match 241: ok 419 # number of heavy atoms match 241: ok 420 # number of heavy atoms match 241: ok 421 # number of heavy atoms match 241: ok 422 # number of heavy atoms match 241: ok 423 # number of heavy atoms match 241: ok 424 # number of heavy atoms match 241: ok 425 # number of heavy atoms match 241: ok 426 # number of heavy atoms match 241: ok 427 # number of heavy atoms match 241: ok 428 # number of heavy atoms match 241: ok 429 # number of heavy atoms match 241: ok 430 # number of heavy atoms match 241: ok 431 # number of heavy atoms match 241: ok 432 # number of heavy atoms match 241: ok 433 # number of heavy atoms match 241: ok 434 # number of heavy atoms match 241: ok 435 # number of heavy atoms match 241: ok 436 # number of heavy atoms match 241: ok 437 # number of heavy atoms match 241: ok 438 # number of heavy atoms match 241: ok 439 # number of heavy atoms match 241: ok 440 # number of heavy atoms match 241: ok 441 # number of heavy atoms match 241: ok 442 # number of heavy atoms match 241: ok 443 # number of heavy atoms match 241: ok 444 # number of heavy atoms match 241: ok 445 # number of heavy atoms match 241: ok 446 # number of heavy atoms match 241: ok 447 # number of heavy atoms match 241: ok 448 # number of heavy atoms match 241: ok 449 # number of heavy atoms match 241: ok 450 # number of heavy atoms match 241: ok 451 # number of heavy atoms match 241: ok 452 # number of heavy atoms match 241: ok 453 # number of heavy atoms match 241: ok 454 # number of heavy atoms match 241: ok 455 # number of heavy atoms match 241: ok 456 # number of heavy atoms match 241: ok 457 # number of heavy atoms match 241: ok 458 # number of heavy atoms match 241: ok 459 # number of heavy atoms match 241: ok 460 # number of heavy atoms match 241: ok 461 # number of heavy atoms match 241: ok 462 # number of heavy atoms match 241: ok 463 # number of heavy atoms match 241: ok 464 # number of heavy atoms match 241: ok 465 # number of heavy atoms match 241: ok 466 # number of heavy atoms match 241: ok 467 # number of heavy atoms match 241: ok 468 # number of heavy atoms match 241: ok 469 # number of heavy atoms match 241: ok 470 # number of heavy atoms match 241: ok 471 # number of heavy atoms match 241: ok 472 # number of heavy atoms match 241: ok 473 # number of heavy atoms match 241: ok 474 # number of heavy atoms match 241: ok 475 # number of heavy atoms match 241: ok 476 # number of heavy atoms match 241: ok 477 # number of heavy atoms match 241: ok 478 # number of heavy atoms match 241: ok 479 # number of heavy atoms match 241: ok 480 # number of heavy atoms match 241: ok 481 # number of heavy atoms match 241: ok 482 # number of heavy atoms match 241: ok 483 # number of heavy atoms match 241: ok 484 # number of heavy atoms match 241: ok 485 # number of heavy atoms match 241: ok 486 # number of heavy atoms match 241: ok 487 # number of heavy atoms match 241: ok 488 # number of heavy atoms match 241: ok 489 # number of heavy atoms match 241: ok 490 # number of heavy atoms match 241: ok 491 # number of heavy atoms match 241: ok 492 # number of heavy atoms match 241: ok 493 # number of heavy atoms match 241: ok 494 # number of heavy atoms match 241: ok 495 # number of heavy atoms match 241: ok 496 # number of heavy atoms match 241: ok 497 # number of heavy atoms match 241: ok 498 # number of heavy atoms match 241: ok 499 # number of heavy atoms match 241: ok 500 # number of heavy atoms match 241: ok 501 # number of heavy atoms match 241: ok 502 # number of heavy atoms match 241: ok 503 # number of heavy atoms match 241: ok 504 # number of heavy atoms match 241: ok 505 # number of heavy atoms match 241: ok 506 # number of heavy atoms match 241: ok 507 # number of heavy atoms match 241: ok 508 # number of heavy atoms match 241: ok 509 # number of heavy atoms match 241: ok 510 # number of heavy atoms match 241: ok 511 # number of heavy atoms match 241: ok 512 # number of heavy atoms match 241: ok 513 # number of heavy atoms match 241: ok 514 # number of heavy atoms match 241: ok 515 # number of heavy atoms match 241: ok 516 # number of heavy atoms match 241: ok 517 # number of heavy atoms match 241: ok 518 # number of heavy atoms match 241: ok 519 # number of heavy atoms match 241: ok 520 # number of heavy atoms match 241: ok 521 # number of heavy atoms match 241: ok 522 # number of heavy atoms match 241: ok 523 # number of heavy atoms match 241: ok 524 # number of heavy atoms match 241: ok 525 # number of heavy atoms match 241: ok 526 # number of heavy atoms match 241: ok 527 # number of heavy atoms match 241: ok 528 # number of heavy atoms match 241: ok 529 # number of heavy atoms match 241: ok 530 # number of heavy atoms match 241: ok 531 # number of heavy atoms match 241: ok 532 # number of heavy atoms match 241: ok 533 # number of heavy atoms match 241: ok 534 # number of heavy atoms match 241: ok 535 # number of heavy atoms match 241: ok 536 # number of heavy atoms match 241: ok 537 # number of heavy atoms match 241: ok 538 # number of heavy atoms match 241: ok 539 # number of heavy atoms match 241: ok 540 # number of heavy atoms match 241: ok 541 # number of heavy atoms match 241: ok 542 # number of heavy atoms match 241: ok 543 # number of heavy atoms match 241: ok 544 # number of heavy atoms match 241: ok 545 # number of heavy atoms match 241: ok 546 # number of heavy atoms match 241: ok 547 # number of heavy atoms match 241: ok 548 # number of heavy atoms match 241: ok 549 # number of heavy atoms match 241: ok 550 # number of heavy atoms match 241: ok 551 # number of heavy atoms match 241: ok 552 # number of heavy atoms match 241: ok 553 # number of heavy atoms match 241: ok 554 # number of heavy atoms match 241: ok 555 # number of heavy atoms match 242: ok 263 # charge 242: ok 264 # charge 242: ok 265 # charge 242: ok 266 # charge 242: ok 267 # charge 242: ok 268 # charge 242: ok 269 # charge 242: ok 270 # charge 242: ok 271 # charge 242: ok 272 # charge 242: ok 273 # dipole 242: ok 274 # charge 242: ok 275 # charge 242: ok 276 # charge 242: ok 277 # charge 242: ok 278 # charge 242: ok 279 # charge 242: ok 280 # charge 242: ok 281 # charge 242: ok 282 # charge 242: ok 283 # charge 242: ok 284 # charge 242: ok 285 # charge 242: ok 286 # charge 242: ok 287 # charge 242: ok 288 # charge 242: ok 289 # charge 242: ok 290 # charge 242: ok 291 # charge 242: ok 292 # charge 242: ok 293 # charge 242: ok 294 # charge 242: ok 295 # charge 242: ok 296 # charge 242: ok 297 # charge 242: ok 298 # charge 242: ok 299 # charge 242: ok 300 # charge 242: ok 301 # charge 242: ok 302 # charge 242: ok 303 # charge 242: ok 304 # charge 242: ok 305 # charge 242: ok 306 # charge 242: ok 307 # charge 242: ok 308 # charge 242: ok 309 # charge 242: ok 310 # charge 242: ok 311 # charge 242: ok 312 # charge 242: ok 313 # charge 242: ok 314 # charge 242: ok 315 # charge 242: ok 316 # charge 242: ok 317 # charge 242: ok 318 # charge 242: ok 319 # charge 242: ok 320 # charge 242: ok 321 # charge 242: ok 322 # charge 242: ok 323 # charge 242: ok 324 # charge 242: ok 325 # charge 242: ok 326 # charge 242: ok 327 # charge 242: ok 328 # charge 242: ok 329 # charge 242: ok 330 # charge 242: ok 331 # charge 242: ok 332 # charge 242: ok 333 # charge 242: ok 334 # charge 242: ok 335 # charge 242: ok 336 # charge 242: ok 337 # charge 242: ok 338 # charge 242: ok 339 # charge 242: ok 340 # charge 242: ok 341 # charge 242: ok 342 # charge 242: ok 343 # charge 242: ok 344 # charge 242: ok 345 # charge 242: ok 346 # charge 242: ok 347 # charge 242: ok 348 # dipole 242: ok 349 # charge 242: ok 350 # charge 242: ok 351 # charge 242: ok 352 # charge 242: ok 353 # charge 242: ok 354 # charge 242: ok 355 # charge 242: ok 356 # charge 242: ok 357 # charge 242: ok 358 # charge 242: ok 359 # charge 242: ok 360 # charge 242: ok 361 # charge 242: ok 362 # charge 242: ok 363 # charge 242: ok 364 # charge 242: ok 365 # charge 242: ok 366 # charge 242: ok 367 # charge 242: ok 368 # charge 242: ok 369 # charge 242: ok 370 # charge 242: ok 371 # charge 242: ok 372 # charge 242: ok 373 # charge 242: ok 374 # charge 242: ok 375 # charge 242: ok 376 # charge 242: ok 377 # charge 242: ok 378 # charge 242: ok 379 # charge 242: ok 380 # charge 242: ok 381 # charge 242: ok 382 # charge 242: ok 383 # charge 242: ok 384 # charge 242: ok 385 # charge 242: ok 386 # charge 242: ok 387 # charge 242: ok 388 # charge 242: ok 389 # charge 242: ok 390 # charge 242: ok 391 # dipole 242: ok 392 # charge 242: ok 393 # charge 242: ok 394 # charge 242: ok 395 # charge 242: ok 396 # charge 242: ok 397 # charge 242: ok 398 # charge 242: ok 399 # charge 242: ok 400 # charge 242: ok 401 # charge 242: ok 402 # charge 242: ok 403 # charge 242: ok 404 # charge 242: ok 405 # charge 242: ok 406 # charge 242: ok 407 # charge 242: ok 408 # charge 242: ok 409 # charge 242: ok 410 # charge 242: ok 411 # charge 242: ok 412 # charge 242: ok 413 # charge 242: ok 414 # charge 242: ok 415 # charge 242: ok 416 # charge 242: ok 417 # charge 242: ok 418 # charge 242: ok 419 # charge 242: ok 420 # charge 242: ok 421 # charge 242: ok 422 # charge 242: ok 423 # charge 242: ok 424 # charge 242: ok 425 # charge 242: ok 426 # charge 242: ok 427 # charge 242: ok 428 # charge 242: ok 429 # dipole 242: ok 430 # charge 242: ok 431 # charge 242: ok 432 # charge 242: ok 433 # charge 242: ok 434 # charge 242: ok 435 # charge 242: ok 436 # charge 242: ok 437 # charge 242: ok 438 # charge 242: ok 439 # charge 242: ok 440 # charge 242: ok 441 # charge 242: ok 442 # charge 242: ok 443 # charge 242: ok 444 # charge 242: ok 445 # charge 242: ok 446 # charge 242: ok 447 # charge 242: ok 448 # charge 242: ok 449 # charge 242: ok 450 # charge 242: ok 451 # charge 242: ok 452 # charge 242: ok 453 # charge 242: ok 454 # charge 242: ok 455 # charge 242: ok 456 # charge 242: ok 457 # charge 242: ok 458 # charge 242: ok 459 # charge 242: ok 460 # charge 242: ok 461 # charge 242: ok 462 # charge 242: ok 463 # charge 242: ok 464 # charge 242: ok 465 # charge 242: ok 466 # charge 242: ok 467 # charge 242: ok 468 # charge 242: ok 469 # dipole 242: ok 470 # charge 242: ok 471 # charge 242: ok 472 # charge 242: ok 473 # charge 242: ok 474 # charge 242: ok 475 # charge 242: ok 476 # charge 242: ok 477 # charge 242: ok 478 # charge 242: ok 479 # charge 242: ok 480 # charge 242: ok 481 # charge 242: ok 482 # charge 242: ok 483 # charge 242: ok 484 # charge 242: ok 485 # charge 242: ok 486 # charge 242: ok 487 # charge 242: ok 488 # charge 242: ok 489 # charge 242: ok 490 # charge 242: ok 491 # charge 242: ok 492 # charge 242: ok 493 # charge 242: ok 494 # charge 242: ok 495 # charge 242: ok 496 # charge 242: ok 497 # charge 242: ok 498 # charge 242: ok 499 # charge 242: ok 500 # charge 242: ok 501 # charge 242: ok 502 # charge 242: ok 503 # dipole 242: ok 504 # charge 242: ok 505 # charge 242: ok 506 # charge 242: ok 507 # charge 242: ok 508 # charge 242: ok 509 # charge 242: ok 510 # charge 242: ok 511 # charge 242: ok 512 # charge 242: ok 513 # charge 242: ok 514 # charge 242: ok 515 # charge 242: ok 516 # charge 242: ok 517 # charge 242: ok 518 # charge 242: ok 519 # charge 242: ok 520 # charge 242: ok 521 # charge 242: ok 522 # charge 242: ok 523 # charge 242: ok 524 # charge 242: ok 525 # charge 242: ok 526 # charge 242: ok 527 # charge 242: ok 528 # charge 242: ok 529 # charge 242: ok 530 # charge 242: ok 531 # charge 242: ok 532 # charge 242: ok 533 # charge 242: ok 534 # charge 242: ok 535 # dipole 242: ok 536 # charge 242: ok 537 # charge 242: ok 538 # charge 242: ok 539 # charge 242: ok 540 # charge 242: ok 541 # charge 242: ok 542 # charge 242: ok 543 # charge 242: ok 544 # charge 242: ok 545 # charge 242: ok 546 # charge 242: ok 547 # charge 242: ok 548 # charge 242: ok 549 # charge 242: ok 550 # charge 242: ok 551 # charge 242: ok 552 # charge 242: ok 553 # charge 242: ok 554 # charge 242: ok 555 # charge 242: ok 556 # charge 242: ok 557 # charge 242: ok 558 # charge 242: ok 559 # charge 242: ok 560 # charge 242: ok 561 # charge 242: ok 562 # charge 242: ok 563 # dipole 242: ok 564 # charge 242: ok 565 # charge 242: ok 566 # charge 242: ok 567 # charge 242: ok 568 # charge 242: ok 569 # charge 242: ok 570 # charge 242: ok 571 # charge 242: ok 572 # charge 242: ok 573 # charge 242: ok 574 # charge 242: ok 575 # charge 242: ok 576 # charge 242: ok 577 # charge 242: ok 578 # charge 242: ok 579 # charge 242: ok 580 # charge 242: ok 581 # charge 242: ok 582 # charge 242: ok 583 # charge 242: ok 584 # charge 242: ok 585 # charge 242: ok 586 # charge 242: ok 587 # charge 242: ok 588 # charge 242: ok 589 # charge 242: ok 590 # charge 242: ok 591 # charge 242: ok 592 # charge 242: ok 593 # charge 242: ok 594 # charge 242: ok 595 # charge 242: ok 596 # charge 242: ok 597 # charge 242: ok 598 # charge 242: ok 599 # charge 242: ok 600 # charge 242: ok 601 # charge 242: ok 602 # charge 242: ok 603 # charge 242: ok 604 # charge 242: ok 605 # charge 242: ok 606 # charge 242: ok 607 # charge 242: ok 608 # charge 242: ok 609 # charge 242: ok 610 # charge 242: ok 611 # charge 242: ok 612 # charge 242: ok 613 # charge 242: ok 614 # charge 242: ok 615 # charge 242: ok 616 # charge 242: ok 617 # charge 242: ok 618 # charge 242: ok 619 # charge 242: ok 620 # charge 242: ok 621 # charge 242: ok 622 # charge 242: ok 623 # charge 242: ok 624 # charge 242: ok 625 # charge 242: ok 626 # charge 242: 1..626 241: ok 556 # number of heavy atoms match 241: ok 557 # number of heavy atoms match 241: ok 558 # number of heavy atoms match 241: ok 559 # number of heavy atoms match 241: ok 560 # number of heavy atoms match 241: ok 561 # number of heavy atoms match 241: ok 562 # number of heavy atoms match 241: ok 563 # number of heavy atoms match 241: ok 564 # number of heavy atoms match 241: ok 565 # number of heavy atoms match 241: ok 566 # number of heavy atoms match 241: ok 567 # number of heavy atoms match 241: ok 568 # number of heavy atoms match 241: ok 569 # number of heavy atoms match 241: ok 570 # number of heavy atoms match 241: ok 571 # number of heavy atoms match 241: ok 572 # number of heavy atoms match 241: ok 573 # number of heavy atoms match 241: ok 574 # number of heavy atoms match 241: ok 575 # number of heavy atoms match 241: ok 576 # number of heavy atoms match 241: ok 577 # number of heavy atoms match 241: ok 578 # number of heavy atoms match 241: ok 579 # number of heavy atoms match 241: ok 580 # number of heavy atoms match 241: ok 581 # number of heavy atoms match 241: ok 582 # number of heavy atoms match 241: ok 583 # number of heavy atoms match 241: ok 584 # number of heavy atoms match 241: ok 585 # number of heavy atoms match 241: ok 586 # number of heavy atoms match 241: ok 587 # number of heavy atoms match 241: ok 588 # number of heavy atoms match 241: ok 589 # number of heavy atoms match 241: ok 590 # number of heavy atoms match 241: ok 591 # number of heavy atoms match 241: ok 592 # number of heavy atoms match 241: ok 593 # number of heavy atoms match 241: ok 594 # number of heavy atoms match 241: ok 595 # number of heavy atoms match 241: ok 596 # number of heavy atoms match 241: ok 597 # number of heavy atoms match 241: ok 598 # number of heavy atoms match 241: ok 599 # number of heavy atoms match 241: ok 600 # number of heavy atoms match 241: ok 601 # number of heavy atoms match 241: ok 602 # number of heavy atoms match 241: ok 603 # number of heavy atoms match 241: ok 604 # number of heavy atoms match 241: ok 605 # number of heavy atoms match 241: ok 606 # number of heavy atoms match 241: ok 607 # number of heavy atoms match 241: ok 608 # number of heavy atoms match 241: ok 609 # number of heavy atoms match 241: ok 610 # number of heavy atoms match 241: ok 611 # number of heavy atoms match 241: ok 612 # number of heavy atoms match 241: ok 613 # number of heavy atoms match 241: ok 614 # number of heavy atoms match 241: ok 615 # number of heavy atoms match 241: ok 616 # number of heavy atoms match 241: ok 617 # number of heavy atoms match 241: ok 618 # number of heavy atoms match 241: ok 619 # number of heavy atoms match 241: ok 620 # number of heavy atoms match 241: ok 621 # number of heavy atoms match 241: ok 622 # number of heavy atoms match 241: ok 623 # number of heavy atoms match 241: ok 624 # number of heavy atoms match 241: ok 625 # number of heavy atoms match 241: ok 626 # number of heavy atoms match 241: ok 627 # number of heavy atoms match 241: ok 628 # number of heavy atoms match 241: ok 629 # number of heavy atoms match 241: ok 630 # number of heavy atoms match 241: ok 631 # number of heavy atoms match 241: ok 632 # number of heavy atoms match 241: ok 633 # number of heavy atoms match 241: ok 634 # number of heavy atoms match 241: ok 635 # number of heavy atoms match 241: ok 636 # number of heavy atoms match 241: ok 637 # number of heavy atoms match 241: ok 638 # number of heavy atoms match 241: ok 639 # number of heavy atoms match 241: ok 640 # number of heavy atoms match 241: ok 641 # number of heavy atoms match 241: ok 642 # number of heavy atoms match 241: ok 643 # number of heavy atoms match 241: ok 644 # number of heavy atoms match 241: ok 645 # number of heavy atoms match 241: ok 646 # number of heavy atoms match 241: ok 647 # number of heavy atoms match 241: ok 648 # number of heavy atoms match 241: ok 649 # number of heavy atoms match 241: ok 650 # number of heavy atoms match 241: ok 651 # number of heavy atoms match 241: ok 652 # number of heavy atoms match 241: ok 653 # number of heavy atoms match 241: ok 654 # number of heavy atoms match 241: ok 655 # number of heavy atoms match 241: ok 656 # number of heavy atoms match 241: ok 657 # number of heavy atoms match 241: ok 658 # number of heavy atoms match 241: ok 659 # number of heavy atoms match 241: ok 660 # number of heavy atoms match 241: ok 661 # number of heavy atoms match 241: ok 662 # number of heavy atoms match 241: ok 663 # number of heavy atoms match 241: ok 664 # number of heavy atoms match 241: ok 665 # number of heavy atoms match 237/333 Test #242: origtest_charge_mmff94_1 ............................................................................ Passed 0.56 sec test 243 Start 243: origtest_charge_gasteiger_1 243: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "charge_gasteiger" "1" 243: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 243: Environment variables: 243: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 243: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 243: Test timeout computed to be: 1500 243: # Testing GASTEIGER Charge Model... 241: ok 666 # number of heavy atoms match 241: ok 667 # number of heavy atoms match 241: ok 668 # number of heavy atoms match 241: ok 669 # number of heavy atoms match 241: ok 670 # number of heavy atoms match 241: ok 671 # number of heavy atoms match 241: ok 672 # number of heavy atoms match 241: ok 673 # number of heavy atoms match 241: ok 674 # number of heavy atoms match 241: ok 675 # number of heavy atoms match 241: ok 676 # number of heavy atoms match 241: ok 677 # number of heavy atoms match 241: ok 678 # number of heavy atoms match 241: ok 679 # number of heavy atoms match 241: ok 680 # number of heavy atoms match 241: ok 681 # number of heavy atoms match 241: ok 682 # number of heavy atoms match 241: ok 683 # number of heavy atoms match 241: ok 684 # number of heavy atoms match 241: ok 685 # number of heavy atoms match 241: ok 686 # number of heavy atoms match 241: ok 687 # number of heavy atoms match 241: ok 688 # number of heavy atoms match 241: ok 689 # number of heavy atoms match 241: ok 690 # number of heavy atoms match 241: ok 691 # number of heavy atoms match 241: ok 692 # number of heavy atoms match 241: ok 693 # number of heavy atoms match 241: ok 694 # number of heavy atoms match 241: ok 695 # number of heavy atoms match 241: ok 696 # number of heavy atoms match 241: ok 697 # number of heavy atoms match 241: ok 698 # number of heavy atoms match 241: ok 699 # number of heavy atoms match 241: ok 700 # number of heavy atoms match 241: ok 701 # number of heavy atoms match 241: ok 702 # number of heavy atoms match 241: ok 703 # number of heavy atoms match 241: ok 704 # number of heavy atoms match 241: ok 705 # number of heavy atoms match 241: ok 706 # number of heavy atoms match 241: ok 707 # number of heavy atoms match 241: ok 708 # number of heavy atoms match 241: ok 709 # number of heavy atoms match 241: ok 710 # number of heavy atoms match 241: ok 711 # number of heavy atoms match 241: ok 712 # number of heavy atoms match 241: ok 713 # number of heavy atoms match 241: ok 714 # number of heavy atoms match 241: ok 715 # number of heavy atoms match 241: ok 716 # number of heavy atoms match 241: ok 717 # number of heavy atoms match 241: ok 718 # number of heavy atoms match 241: ok 719 # number of heavy atoms match 241: ok 720 # number of heavy atoms match 241: ok 721 # number of heavy atoms match 241: ok 722 # number of heavy atoms match 241: ok 723 # number of heavy atoms match 241: ok 724 # number of heavy atoms match 241: ok 725 # number of heavy atoms match 241: ok 726 # number of heavy atoms match 241: ok 727 # number of heavy atoms match 241: ok 728 # number of heavy atoms match 241: ok 729 # number of heavy atoms match 241: ok 730 # number of heavy atoms match 241: ok 731 # number of heavy atoms match 241: ok 732 # number of heavy atoms match 241: ok 733 # number of heavy atoms match 241: ok 734 # number of heavy atoms match 241: ok 735 # number of heavy atoms match 241: ok 736 # number of heavy atoms match 241: ok 737 # number of heavy atoms match 241: ok 738 # number of heavy atoms match 241: ok 739 # number of heavy atoms match 241: ok 740 # number of heavy atoms match 241: ok 741 # number of heavy atoms match 241: ok 742 # number of heavy atoms match 241: ok 743 # number of heavy atoms match 241: ok 744 # number of heavy atoms match 241: ok 745 # number of heavy atoms match 241: ok 746 # number of heavy atoms match 241: ok 747 # number of heavy atoms match 241: ok 748 # number of heavy atoms match 241: ok 749 # number of heavy atoms match 241: ok 750 # number of heavy atoms match 241: ok 751 # number of heavy atoms match 241: ok 752 # number of heavy atoms match 241: ok 753 # number of heavy atoms match 241: ok 754 # number of heavy atoms match 241: ok 755 # number of heavy atoms match 241: ok 756 # number of heavy atoms match 241: ok 757 # number of heavy atoms match 241: ok 758 # number of heavy atoms match 241: ok 759 # number of heavy atoms match 241: ok 760 # number of heavy atoms match 241: ok 761 # number of heavy atoms match 241: ok 762 # number of heavy atoms match 241: ok 763 # number of heavy atoms match 241: ok 764 # number of heavy atoms match 241: ok 765 # number of heavy atoms match 241: ok 766 # number of heavy atoms match 241: ok 767 # number of heavy atoms match 241: ok 768 # number of heavy atoms match 241: ok 769 # number of heavy atoms match 241: ok 770 # number of heavy atoms match 241: ok 771 # number of heavy atoms match 241: ok 772 # number of heavy atoms match 241: ok 773 # number of heavy atoms match 241: ok 774 # number of heavy atoms match 241: ok 775 # number of heavy atoms match 241: ok 776 # number of heavy atoms match 241: ok 777 # number of heavy atoms match 241: ok 778 # number of heavy atoms match 241: ok 779 # number of heavy atoms match 241: ok 780 # number of heavy atoms match 241: ok 781 # number of heavy atoms match 241: ok 782 # number of heavy atoms match 241: ok 783 # number of heavy atoms match 241: ok 784 # number of heavy atoms match 241: ok 785 # number of heavy atoms match 241: ok 786 # number of heavy atoms match 241: ok 787 # number of heavy atoms match 241: ok 788 # number of heavy atoms match 241: ok 789 # number of heavy atoms match 241: ok 790 # number of heavy atoms match 241: ok 791 # number of heavy atoms match 241: ok 792 # number of heavy atoms match 241: ok 793 # number of heavy atoms match 241: ok 794 # number of heavy atoms match 241: ok 795 # number of heavy atoms match 241: ok 796 # number of heavy atoms match 241: ok 797 # number of heavy atoms match 241: ok 798 # number of heavy atoms match 241: ok 799 # number of heavy atoms match 241: ok 800 # number of heavy atoms match 241: ok 801 # number of heavy atoms match 241: ok 802 # number of heavy atoms match 241: ok 803 # number of heavy atoms match 241: ok 804 # number of heavy atoms match 241: ok 805 # number of heavy atoms match 241: ok 806 # number of heavy atoms match 241: ok 807 # number of heavy atoms match 241: ok 808 # number of heavy atoms match 241: ok 809 # number of heavy atoms match 241: ok 810 # number of heavy atoms match 241: ok 811 # number of heavy atoms match 241: ok 812 # number of heavy atoms match 241: ok 813 # number of heavy atoms match 241: ok 814 # number of heavy atoms match 241: ok 815 # number of heavy atoms match 241: ok 816 # number of heavy atoms match 241: ok 817 # number of heavy atoms match 241: ok 818 # number of heavy atoms match 241: ok 819 # number of heavy atoms match 241: ok 820 # number of heavy atoms match 241: ok 821 # number of heavy atoms match 241: ok 822 # number of heavy atoms match 241: ok 823 # number of heavy atoms match 241: ok 824 # number of heavy atoms match 241: ok 825 # number of heavy atoms match 241: ok 826 # number of heavy atoms match 241: ok 827 # number of heavy atoms match 241: ok 828 # number of heavy atoms match 241: ok 829 # number of heavy atoms match 241: ok 830 # number of heavy atoms match 241: ok 831 # number of heavy atoms match 241: ok 832 # number of heavy atoms match 241: ok 833 # number of heavy atoms match 241: ok 834 # number of heavy atoms match 241: ok 835 # number of heavy atoms match 241: ok 836 # number of heavy atoms match 241: ok 837 # number of heavy atoms match 241: ok 838 # number of heavy atoms match 241: ok 839 # number of heavy atoms match 241: ok 840 # number of heavy atoms match 241: ok 841 # number of heavy atoms match 241: ok 842 # number of heavy atoms match 241: ok 843 # number of heavy atoms match 241: ok 844 # number of heavy atoms match 241: ok 845 # number of heavy atoms match 241: ok 846 # number of heavy atoms match 241: ok 847 # number of heavy atoms match 241: ok 848 # number of heavy atoms match 241: ok 849 # number of heavy atoms match 241: ok 850 # number of heavy atoms match 241: ok 851 # number of heavy atoms match 241: ok 852 # number of heavy atoms match 241: ok 853 # number of heavy atoms match 241: ok 854 # number of heavy atoms match 241: ok 855 # number of heavy atoms match 241: ok 856 # number of heavy atoms match 241: ok 857 # number of heavy atoms match 241: ok 858 # number of heavy atoms match 241: ok 859 # number of heavy atoms match 241: ok 860 # number of heavy atoms match 241: ok 861 # number of heavy atoms match 241: ok 862 # number of heavy atoms match 241: ok 863 # number of heavy atoms match 241: ok 864 # number of heavy atoms match 241: ok 865 # number of heavy atoms match 241: ok 866 # number of heavy atoms match 241: ok 867 # number of heavy atoms match 241: ok 868 # number of heavy atoms match 241: ok 869 # number of heavy atoms match 241: ok 870 # number of heavy atoms match 241: ok 871 # number of heavy atoms match 241: ok 872 # number of heavy atoms match 241: ok 873 # number of heavy atoms match 241: ok 874 # number of heavy atoms match 241: ok 875 # number of heavy atoms match 241: ok 876 # number of heavy atoms match 241: ok 877 # number of heavy atoms match 241: ok 878 # number of heavy atoms match 241: ok 879 # number of heavy atoms match 241: ok 880 # number of heavy atoms match 241: ok 881 # number of heavy atoms match 241: ok 882 # number of heavy atoms match 241: ok 883 # number of heavy atoms match 241: ok 884 # number of heavy atoms match 241: ok 885 # number of heavy atoms match 241: ok 886 # number of heavy atoms match 241: ok 887 # number of heavy atoms match 243: ok 1 # dipole 243: ok 2 # charge 243: ok 3 # charge 243: ok 4 # charge 243: ok 5 # charge 243: ok 6 # charge 243: ok 7 # charge 243: ok 8 # charge 243: ok 9 # charge 243: ok 10 # charge 243: ok 11 # charge 243: ok 12 # charge 243: ok 13 # charge 243: ok 14 # charge 243: ok 15 # charge 243: ok 16 # charge 243: ok 17 # charge 243: ok 18 # charge 243: ok 19 # charge 243: ok 20 # charge 243: ok 21 # charge 243: ok 22 # charge 243: ok 23 # charge 243: ok 24 # charge 243: ok 25 # charge 243: ok 26 # charge 243: ok 27 # charge 243: ok 28 # charge 243: ok 29 # charge 243: ok 30 # charge 243: ok 31 # charge 243: ok 32 # charge 243: ok 33 # charge 243: ok 34 # charge 243: ok 35 # charge 243: ok 36 # charge 243: ok 37 # charge 243: ok 38 # charge 243: ok 39 # charge 243: ok 40 # charge 243: ok 41 # dipole 243: ok 42 # charge 243: ok 43 # charge 243: ok 44 # charge 243: ok 45 # charge 243: ok 46 # charge 243: ok 47 # charge 243: ok 48 # charge 243: ok 49 # dipole 243: ok 50 # charge 243: ok 51 # charge 243: ok 52 # charge 243: ok 53 # charge 243: ok 54 # charge 243: ok 55 # charge 243: ok 56 # charge 243: ok 57 # charge 243: ok 58 # charge 243: ok 59 # dipole 243: ok 60 # charge 243: ok 61 # charge 243: ok 62 # charge 243: ok 63 # charge 243: ok 64 # charge 243: ok 65 # charge 243: ok 66 # charge 243: ok 67 # charge 243: ok 68 # dipole 243: ok 69 # charge 243: ok 70 # charge 243: ok 71 # charge 243: ok 72 # charge 243: ok 73 # charge 243: ok 74 # charge 243: ok 75 # charge 243: ok 76 # charge 243: ok 77 # charge 243: ok 78 # charge 243: ok 79 # charge 243: ok 80 # charge 243: ok 81 # charge 243: ok 82 # dipole 243: ok 83 # charge 243: ok 84 # charge 243: ok 85 # charge 243: ok 86 # charge 243: ok 87 # charge 243: ok 88 # charge 243: ok 89 # charge 243: ok 90 # charge 243: ok 91 # charge 243: ok 92 # charge 243: ok 93 # charge 243: ok 94 # charge 243: ok 95 # charge 243: ok 96 # dipole 243: ok 97 # charge 243: ok 98 # charge 243: ok 99 # charge 243: ok 100 # charge 243: ok 101 # charge 243: ok 102 # charge 243: ok 103 # charge 243: ok 104 # charge 243: ok 105 # charge 243: ok 106 # charge 243: ok 107 # charge 243: ok 108 # charge 243: ok 109 # charge 243: ok 110 # charge 243: ok 111 # charge 243: ok 112 # charge 243: ok 113 # charge 243: ok 114 # charge 243: ok 115 # charge 243: ok 116 # charge 243: ok 117 # charge 243: ok 118 # charge 243: ok 119 # charge 243: ok 120 # charge 243: ok 121 # charge 243: ok 122 # charge 243: ok 123 # charge 243: ok 124 # charge 243: ok 125 # charge 243: ok 126 # charge 243: ok 127 # charge 243: ok 128 # charge 243: ok 129 # charge 243: ok 130 # charge 243: ok 131 # charge 243: ok 132 # charge 243: ok 133 # charge 243: ok 134 # charge 243: ok 135 # charge 243: ok 136 # charge 243: ok 137 # charge 243: ok 138 # charge 243: ok 139 # charge 243: ok 140 # charge 243: ok 141 # charge 243: ok 142 # charge 243: ok 143 # charge 243: ok 144 # charge 243: ok 145 # charge 243: ok 146 # charge 243: ok 147 # charge 243: ok 148 # charge 243: ok 149 # charge 243: ok 150 # charge 243: ok 151 # charge 243: ok 152 # charge 243: ok 153 # charge 243: ok 154 # charge 243: ok 155 # charge 243: ok 156 # charge 243: ok 157 # charge 243: ok 158 # charge 243: ok 159 # charge 243: ok 160 # charge 243: ok 161 # charge 243: ok 162 # dipole 243: ok 163 # charge 243: ok 164 # charge 243: ok 165 # charge 243: ok 166 # charge 243: ok 167 # charge 243: ok 168 # charge 243: ok 169 # charge 243: ok 170 # charge 243: ok 171 # charge 243: ok 172 # charge 243: ok 173 # charge 243: ok 174 # charge 243: ok 175 # charge 243: ok 176 # charge 243: ok 177 # charge 243: ok 178 # charge 243: ok 179 # charge 243: ok 180 # charge 243: ok 181 # charge 243: ok 182 # charge 243: ok 183 # charge 243: ok 184 # charge 243: ok 185 # charge 243: ok 186 # charge 243: ok 187 # dipole 243: ok 188 # charge 243: ok 189 # charge 243: ok 190 # charge 243: ok 191 # charge 243: ok 192 # charge 243: ok 193 # charge 243: ok 194 # charge 243: ok 195 # charge 243: ok 196 # charge 243: ok 197 # charge 243: ok 198 # charge 243: ok 199 # charge 243: ok 200 # charge 243: ok 201 # charge 243: ok 202 # charge 243: ok 203 # charge 243: ok 204 # charge 243: ok 205 # charge 243: ok 206 # charge 243: ok 207 # charge 243: ok 208 # charge 243: ok 209 # charge 243: ok 210 # charge 243: ok 211 # charge 243: ok 212 # charge 243: ok 213 # charge 243: ok 214 # charge 243: ok 215 # charge 243: ok 216 # charge 243: ok 217 # charge 243: ok 218 # charge 243: ok 219 # charge 243: ok 220 # charge 243: ok 221 # charge 243: ok 222 # charge 243: ok 223 # charge 243: ok 224 # charge 243: ok 225 # charge 243: ok 226 # charge 243: ok 227 # charge 243: ok 228 # charge 243: ok 229 # charge 243: ok 230 # charge 243: ok 231 # charge 243: ok 232 # charge 243: ok 233 # charge 243: ok 234 # charge 243: ok 235 # charge 243: ok 236 # charge 243: ok 237 # charge 243: ok 238 # charge 243: ok 239 # charge 243: ok 240 # charge 243: ok 241 # charge 243: ok 242 # charge 243: ok 243 # charge 243: ok 244 # charge 243: ok 245 # charge 243: ok 246 # charge 243: ok 247 # charge 243: ok 248 # dipole 243: ok 249 # charge 243: ok 250 # charge 243: ok 251 # charge 243: ok 252 # charge 243: ok 253 # charge 243: ok 254 # charge 243: ok 255 # charge 243: ok 256 # charge 243: ok 257 # charge 243: ok 258 # charge 243: ok 259 # charge 243: ok 260 # charge 243: ok 261 # charge 243: ok 262 # charge 243: ok 263 # charge 243: ok 264 # charge 243: ok 265 # charge 243: ok 266 # charge 243: ok 267 # charge 243: ok 268 # charge 243: ok 269 # charge 243: ok 270 # charge 243: ok 271 # charge 243: ok 272 # charge 243: ok 273 # dipole 243: ok 274 # charge 243: ok 275 # charge 243: ok 276 # charge 243: ok 277 # charge 243: ok 278 # charge 243: ok 279 # charge 243: ok 280 # charge 243: ok 281 # charge 243: ok 282 # charge 243: ok 283 # charge 243: ok 284 # charge 243: ok 285 # charge 243: ok 286 # charge 243: ok 287 # charge 243: ok 288 # charge 243: ok 289 # charge 243: ok 290 # charge 243: ok 291 # charge 243: ok 292 # charge 243: ok 293 # charge 243: ok 294 # charge 243: ok 295 # charge 243: ok 296 # charge 243: ok 297 # charge 243: ok 298 # charge 243: ok 299 # charge 243: ok 300 # charge 243: ok 301 # charge 243: ok 302 # charge 243: ok 303 # charge 243: ok 304 # charge 243: ok 305 # charge 243: ok 306 # charge 243: ok 307 # charge 243: ok 308 # charge 243: ok 309 # charge 243: ok 310 # charge 243: ok 311 # charge 243: ok 312 # charge 243: ok 313 # charge 243: ok 314 # charge 243: ok 315 # charge 243: ok 316 # charge 243: ok 317 # charge 243: ok 318 # charge 243: ok 319 # charge 243: ok 320 # charge 243: ok 321 # charge 243: ok 322 # charge 243: ok 323 # charge 243: ok 324 # charge 243: ok 325 # charge 243: ok 326 # charge 243: ok 327 # charge 243: ok 328 # charge 243: ok 329 # charge 243: ok 330 # charge 243: ok 331 # charge 243: ok 332 # charge 243: ok 333 # charge 243: ok 334 # charge 243: ok 335 # charge 243: ok 336 # charge 243: ok 337 # charge 243: ok 338 # charge 243: ok 339 # charge 243: ok 340 # charge 243: ok 341 # charge 243: ok 342 # charge 243: ok 343 # charge 243: ok 344 # charge 243: ok 345 # charge 243: ok 346 # charge 243: ok 347 # charge 243: ok 348 # dipole 243: ok 349 # charge 243: ok 350 # charge 243: ok 351 # charge 243: ok 352 # charge 243: ok 353 # charge 243: ok 354 # charge 243: ok 355 # charge 243: ok 356 # charge 243: ok 357 # charge 243: ok 358 # charge 243: ok 359 # charge 243: ok 360 # charge 243: ok 361 # charge 243: ok 362 # charge 243: ok 363 # charge 243: ok 364 # charge 243: ok 365 # charge 243: ok 366 # charge 243: ok 367 # charge 243: ok 368 # charge 243: ok 369 # charge 243: ok 370 # charge 243: ok 371 # charge 243: ok 372 # charge 243: ok 373 # charge 243: ok 374 # charge 243: ok 375 # charge 243: ok 376 # charge 243: ok 377 # charge 243: ok 378 # charge 243: ok 379 # charge 243: ok 380 # charge 243: ok 381 # charge 243: ok 382 # charge 243: ok 383 # charge 243: ok 384 # charge 243: ok 385 # charge 243: ok 386 # charge 243: ok 387 # charge 243: ok 388 # charge 243: ok 389 # charge 243: ok 390 # charge 243: ok 391 # dipole 243: ok 392 # charge 243: ok 393 # charge 243: ok 394 # charge 243: ok 395 # charge 243: ok 396 # charge 243: ok 397 # charge 243: ok 398 # charge 243: ok 399 # charge 243: ok 400 # charge 243: ok 401 # charge 243: ok 402 # charge 243: ok 403 # charge 243: ok 404 # charge 243: ok 405 # charge 243: ok 406 # charge 243: ok 407 # charge 243: ok 408 # charge 243: ok 409 # charge 243: ok 410 # charge 243: ok 411 # charge 243: ok 412 # charge 243: ok 413 # charge 243: ok 414 # charge 243: ok 415 # charge 243: ok 416 # charge 243: ok 417 # charge 243: ok 418 # charge 243: ok 419 # charge 243: ok 420 # charge 243: ok 421 # charge 243: ok 422 # charge 243: ok 423 # charge 243: ok 424 # charge 243: ok 425 # charge 243: ok 426 # charge 243: ok 427 # charge 243: ok 428 # charge 243: ok 429 # dipole 243: ok 430 # charge 243: ok 431 # charge 243: ok 432 # charge 243: ok 433 # charge 243: ok 434 # charge 243: ok 435 # charge 243: ok 436 # charge 243: ok 437 # charge 243: ok 438 # charge 243: ok 439 # charge 243: ok 440 # charge 243: ok 441 # charge 243: ok 442 # charge 243: ok 443 # charge 243: ok 444 # charge 243: ok 445 # charge 243: ok 446 # charge 243: ok 447 # charge 243: ok 448 # charge 243: ok 449 # charge 243: ok 450 # charge 243: ok 451 # charge 243: ok 452 # charge 243: ok 453 # charge 243: ok 454 # charge 243: ok 455 # charge 243: ok 456 # charge 243: ok 457 # charge 243: ok 458 # charge 243: ok 459 # charge 243: ok 460 # charge 243: ok 461 # charge 243: ok 462 # charge 243: ok 463 # charge 243: ok 464 # charge 243: ok 465 # charge 243: ok 466 # charge 243: ok 467 # charge 243: ok 468 # charge 243: ok 469 # dipole 243: ok 470 # charge 243: ok 471 # charge 243: ok 472 # charge 243: ok 473 # charge 243: ok 474 # charge 243: ok 475 # charge 243: ok 476 # charge 243: ok 477 # charge 243: ok 478 # charge 243: ok 479 # charge 243: ok 480 # charge 243: ok 481 # charge 243: ok 482 # charge 243: ok 483 # charge 243: ok 484 # charge 243: ok 485 # charge 243: ok 486 # charge 243: ok 487 # charge 243: ok 488 # charge 243: ok 489 # charge 243: ok 490 # charge 243: ok 491 # charge 243: ok 492 # charge 243: ok 493 # charge 243: ok 494 # charge 243: ok 495 # charge 243: ok 496 # charge 243: ok 497 # charge 243: ok 498 # charge 243: ok 499 # charge 243: ok 500 # charge 243: ok 501 # charge 243: ok 502 # charge 243: ok 503 # dipole 243: ok 504 # charge 243: ok 505 # charge 243: ok 506 # charge 243: ok 507 # charge 243: ok 508 # charge 243: ok 509 # charge 243: ok 510 # charge 243: ok 511 # charge 243: ok 512 # charge 243: ok 513 # charge 243: ok 514 # charge 243: ok 515 # charge 243: ok 516 # charge 243: ok 517 # charge 243: ok 518 # charge 243: ok 519 # charge 243: ok 520 # charge 243: ok 521 # charge 243: ok 522 # charge 243: ok 523 # charge 243: ok 524 # charge 243: ok 525 # charge 243: ok 526 # charge 243: ok 527 # charge 243: ok 528 # charge 243: ok 529 # charge 243: ok 530 # charge 243: ok 531 # charge 243: ok 532 # charge 243: ok 533 # charge 243: ok 534 # charge 243: ok 535 # dipole 243: ok 536 # charge 243: ok 537 # charge 243: ok 538 # charge 243: ok 539 # charge 243: ok 540 # charge 243: ok 541 # charge 243: ok 542 # charge 243: ok 543 # charge 243: ok 544 # charge 243: ok 545 # charge 243: ok 546 # charge 243: ok 547 # charge 243: ok 548 # charge 243: ok 549 # charge 243: ok 550 # charge 243: ok 551 # charge 243: ok 552 # charge 243: ok 553 # charge 243: ok 554 # charge 243: ok 555 # charge 243: ok 556 # charge 243: ok 557 # charge 243: ok 558 # charge 243: ok 559 # charge 243: ok 560 # charge 243: ok 561 # charge 243: ok 562 # charge 243: ok 563 # dipole 243: ok 564 # charge 243: ok 565 # charge 243: ok 566 # charge 243: ok 567 # charge 243: ok 568 # charge 243: ok 569 # charge 243: ok 570 # charge 243: ok 571 # charge 243: ok 572 # charge 243: ok 573 # charge 243: ok 574 # charge 243: ok 575 # charge 243: ok 576 # charge 243: ok 577 # charge 243: ok 578 # charge 243: ok 579 # charge 243: ok 580 # charge 243: ok 581 # charge 243: ok 582 # charge 243: ok 583 # charge 243: ok 584 # charge 243: ok 585 # charge 243: ok 586 # charge 243: ok 587 # charge 243: ok 588 # charge 243: ok 589 # charge 243: ok 590 # charge 243: ok 591 # charge 243: ok 592 # charge 243: ok 593 # charge 243: ok 594 # charge 243: ok 595 # charge 243: ok 596 # charge 243: ok 597 # charge 243: ok 598 # charge 243: ok 599 # charge 243: ok 600 # charge 243: ok 601 # charge 243: ok 602 # charge 243: ok 603 # charge 243: ok 604 # charge 243: ok 605 # charge 243: ok 606 # charge 243: ok 607 # charge 243: ok 608 # charge 243: ok 609 # charge 243: ok 610 # charge 243: ok 611 # charge 243: ok 612 # charge 243: ok 613 # charge 243: ok 614 # charge 243: ok 615 # charge 243: ok 616 # charge 243: ok 617 # charge 243: ok 618 # charge 243: ok 619 # charge 243: ok 620 # charge 243: ok 621 # charge 243: ok 622 # charge 243: ok 623 # charge 243: ok 624 # charge 243: ok 625 # charge 243: ok 626 # charge 238/333 Test #243: origtest_charge_gasteiger_1 ......................................................................... Passed 0.19 sec test 244 Start 244: origtest_conversion_1 244: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "conversion" "1" 244: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 244: Environment variables: 244: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 244: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 244: Test timeout computed to be: 1500 241: ok 888 # number of heavy atoms match 241: ok 889 # number of heavy atoms match 241: ok 890 # number of heavy atoms match 241: ok 891 # number of heavy atoms match 241: ok 892 # number of heavy atoms match 241: ok 893 # number of heavy atoms match 241: ok 894 # number of heavy atoms match 241: ok 895 # number of heavy atoms match 241: ok 896 # number of heavy atoms match 241: ok 897 # number of heavy atoms match 241: ok 898 # number of heavy atoms match 241: ok 899 # number of heavy atoms match 241: ok 900 # number of heavy atoms match 241: ok 901 # number of heavy atoms match 241: ok 902 # number of heavy atoms match 241: ok 903 # number of heavy atoms match 241: ok 904 # number of heavy atoms match 241: ok 905 # number of heavy atoms match 241: ok 906 # number of heavy atoms match 241: ok 907 # number of heavy atoms match 241: ok 908 # number of heavy atoms match 241: ok 909 # number of heavy atoms match 241: ok 910 # number of heavy atoms match 241: ok 911 # number of heavy atoms match 241: ok 912 # number of heavy atoms match 241: ok 913 # number of heavy atoms match 241: ok 914 # number of heavy atoms match 241: ok 915 # number of heavy atoms match 241: ok 916 # number of heavy atoms match 241: ok 917 # number of heavy atoms match 241: ok 918 # number of heavy atoms match 241: ok 919 # number of heavy atoms match 241: ok 920 # number of heavy atoms match 241: ok 921 # number of heavy atoms match 241: ok 922 # number of heavy atoms match 241: ok 923 # number of heavy atoms match 241: ok 924 # number of heavy atoms match 241: ok 925 # number of heavy atoms match 241: ok 926 # number of heavy atoms match 241: ok 927 # number of heavy atoms match 241: ok 928 # number of heavy atoms match 241: ok 929 # number of heavy atoms match 241: ok 930 # number of heavy atoms match 241: ok 931 # number of heavy atoms match 241: ok 932 # number of heavy atoms match 241: ok 933 # number of heavy atoms match 241: ok 934 # number of heavy atoms match 241: ok 935 # number of heavy atoms match 241: ok 936 # number of heavy atoms match 241: ok 937 # number of heavy atoms match 241: ok 938 # number of heavy atoms match 241: ok 939 # number of heavy atoms match 241: ok 940 # number of heavy atoms match 241: ok 941 # number of heavy atoms match 241: ok 942 # number of heavy atoms match 241: ok 943 # number of heavy atoms match 241: ok 944 # number of heavy atoms match 241: ok 945 # number of heavy atoms match 241: ok 946 # number of heavy atoms match 241: ok 947 # number of heavy atoms match 241: ok 948 # number of heavy atoms match 241: ok 949 # number of heavy atoms match 241: ok 950 # number of heavy atoms match 241: ok 951 # number of heavy atoms match 241: ok 952 # number of heavy atoms match 241: ok 953 # number of heavy atoms match 241: ok 954 # number of heavy atoms match 241: ok 955 # number of heavy atoms match 241: ok 956 # number of heavy atoms match 241: ok 957 # number of heavy atoms match 241: ok 958 # number of heavy atoms match 241: ok 959 # number of heavy atoms match 241: ok 960 # number of heavy atoms match 241: ok 961 # number of heavy atoms match 241: ok 962 # number of heavy atoms match 241: ok 963 # number of heavy atoms match 241: ok 964 # number of heavy atoms match 241: ok 965 # number of heavy atoms match 241: ok 966 # number of heavy atoms match 241: ok 967 # number of heavy atoms match 241: ok 968 # number of heavy atoms match 241: ok 969 # number of heavy atoms match 241: ok 970 # number of heavy atoms match 241: ok 971 # number of heavy atoms match 241: ok 972 # number of heavy atoms match 241: ok 973 # number of heavy atoms match 241: ok 974 # number of heavy atoms match 241: ok 975 # number of heavy atoms match 241: ok 976 # number of heavy atoms match 241: ok 977 # number of heavy atoms match 241: ok 978 # number of heavy atoms match 241: ok 979 # number of heavy atoms match 241: ok 980 # number of heavy atoms match 241: ok 981 # number of heavy atoms match 241: ok 982 # number of heavy atoms match 241: ok 983 # number of heavy atoms match 241: ok 984 # number of heavy atoms match 241: ok 985 # number of heavy atoms match 241: ok 986 # number of heavy atoms match 241: ok 987 # number of heavy atoms match 241: ok 988 # number of heavy atoms match 241: ok 989 # number of heavy atoms match 241: ok 990 # number of heavy atoms match 241: ok 991 # number of heavy atoms match 241: ok 992 # number of heavy atoms match 241: ok 993 # number of heavy atoms match 241: ok 994 # number of heavy atoms match 241: ok 995 # number of heavy atoms match 241: ok 996 # number of heavy atoms match 241: ok 997 # number of heavy atoms match 241: ok 998 # number of heavy atoms match 244: ============================== 244: *** Open Babel Warning in WriteMolecule 244: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 244: # Unit tests for OBConversion 244: 1..9 244: ok 1 244: ok 2 244: ok 3 244: ok 4 244: ok 5 244: ok 6 244: ok 7 244: ok 8 239/333 Test #244: origtest_conversion_1 ............................................................................... Passed 0.17 sec test 245 Start 245: origtest_datatest_1 245: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "datatest" "1" 245: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 245: Environment variables: 245: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 245: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 245: Test timeout computed to be: 1500 245: # Unit tests for data tables 245: 1..2 245: ok 1 245: ok 2 240/333 Test #245: origtest_datatest_1 ................................................................................. Passed 0.02 sec test 246 Start 246: origtest_ffgaff_1 246: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffgaff" "1" 246: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 246: Environment variables: 246: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 246: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 246: Test timeout computed to be: 1500 246: # Testing GAFF Force Field... 246: ok 1 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (102.152, -13.405, 11.295) (102.186, -13.368, 11.304) ( 0.03, 0.27, 0.08) 246: bond ( 65.430, 20.212, 18.860) ( 65.454, 20.239, 18.862) ( 0.04, 0.13, 0.01) 246: angle ( 64.222, -43.610, 6.621) ( 64.231, -43.601, 6.623) ( 0.01, 0.02, 0.03) 246: torsion ( 2.285, 1.864, -9.889) ( 2.285, 1.864, -9.885) ( 0.01, 0.01, 0.04) 246: oop ( 0.189, 0.204, -0.875) ( 0.189, 0.204, -0.875) ( 0.00, 0.00, 0.04) 246: vdw (-29.752, 8.101, -3.444) (-29.752, 8.101, -3.444) ( 0.00, 0.00, 0.00) 246: electro ( -0.221, -0.175, 0.022) ( -0.221, -0.175, 0.022) ( 0.00, 0.00, 0.00) 246: 2 (-25.215, 10.780, 89.099) (-25.178, 10.817, 89.109) ( 0.15, 0.34, 0.01) 246: bond ( 34.767, -49.738, 0.175) ( 34.796, -49.714, 0.179) ( 0.08, 0.05, 0.05) 246: angle (-51.090, 50.603, 44.964) (-51.083, 50.614, 44.966) ( 0.02, 0.02, 0.00) 246: torsion ( -1.548, -4.298, 27.297) ( -1.548, -4.297, 27.301) ( 0.01, 0.00, 0.02) 246: oop ( -0.242, -0.222, 0.947) ( -0.242, -0.222, 0.947) ( 0.00, 0.00, 0.01) 246: vdw ( -7.740, 18.047, 15.318) ( -7.740, 18.048, 15.318) ( 0.00, 0.01, 0.00) 246: electro ( 0.639, -3.612, 0.399) ( 0.639, -3.612, 0.399) ( 0.00, 0.00, 0.00) 246: 3 (-83.042, -36.318, -41.768) (-83.007, -36.282, -41.759) ( 0.04, 0.10, 0.02) 246: bond (-76.007, -41.054, -29.725) (-75.982, -41.028, -29.723) ( 0.03, 0.07, 0.01) 246: angle (-38.446, -15.726, -3.780) (-38.436, -15.717, -3.778) ( 0.02, 0.06, 0.06) 246: torsion ( 5.065, 4.006, -19.830) ( 5.065, 4.006, -19.826) ( 0.01, 0.00, 0.02) 246: oop ( 0.501, 0.462, -1.986) ( 0.501, 0.462, -1.986) ( 0.00, 0.00, 0.02) 246: vdw ( 25.385, 16.189, 13.419) ( 25.385, 16.190, 13.419) ( 0.00, 0.00, 0.00) 246: electro ( 0.460, -0.195, 0.134) ( 0.460, -0.195, 0.134) ( 0.00, 0.00, 0.00) 246: 4 (-42.844, -11.172, -19.259) (-42.811, -11.135, -19.250) ( 0.08, 0.33, 0.05) 246: bond (-90.014, 22.518, -18.593) (-89.992, 22.547, -18.589) ( 0.02, 0.13, 0.02) 246: angle ( 16.795, -23.416, -0.140) ( 16.805, -23.409, -0.139) ( 0.06, 0.03, 0.02) 246: torsion ( 2.668, 4.258, -3.869) ( 2.669, 4.258, -3.865) ( 0.01, 0.01, 0.10) 246: oop ( -0.169, -0.157, 0.678) ( -0.169, -0.157, 0.678) ( 0.00, 0.00, 0.00) 246: vdw ( 26.874, -14.207, 2.581) ( 26.875, -14.207, 2.581) ( 0.00, 0.00, 0.00) 246: electro ( 1.002, -0.167, 0.084) ( 1.002, -0.167, 0.084) ( 0.00, 0.00, 0.00) 246: 5 ( -1.994, 38.051, 22.985) ( -1.964, 38.071, 22.992) ( 1.50, 0.05, 0.03) 246: bond ( 11.228, 60.887, 19.043) ( 11.255, 60.898, 19.046) ( 0.25, 0.02, 0.02) 246: angle ( -4.676, 9.306, 0.092) ( -4.674, 9.314, 0.093) ( 0.04, 0.09, 0.00) 246: torsion ( -3.291, -3.459, 13.086) ( -3.290, -3.459, 13.089) ( 0.01, 0.01, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.357, -25.900, -8.663) ( -5.357, -25.899, -8.663) ( 0.01, 0.00, 0.00) 246: electro ( 0.102, -2.783, -0.572) ( 0.102, -2.783, -0.572) ( 0.00, 0.00, 0.00) 246: 6 ( -4.575, -67.943, -17.081) ( -4.541, -67.907, -17.072) ( 0.76, 0.05, 0.05) 246: bond ( 45.081, -31.332, 3.011) ( 45.106, -31.304, 3.013) ( 0.05, 0.09, 0.08) 246: angle (-31.327, -14.947, -9.606) (-31.318, -14.939, -9.605) ( 0.03, 0.05, 0.01) 246: torsion ( 0.284, 0.309, -0.353) ( 0.285, 0.309, -0.348) ( 0.01, 0.01, 0.17) 246: oop ( -0.064, -0.069, 0.294) ( -0.064, -0.069, 0.294) ( 0.00, 0.00, 0.00) 246: vdw (-18.405, -22.065, -10.583) (-18.404, -22.064, -10.583) ( 0.00, 0.00, 0.00) 246: electro ( -0.145, 0.160, 0.156) ( -0.145, 0.160, 0.156) ( 0.00, 0.00, 0.00) 246: 7 ( 36.833, -39.537, 19.970) ( 36.859, -39.512, 19.992) ( 0.07, 0.06, 0.11) 246: bond ( 32.571, -25.330, -0.204) ( 32.588, -25.312, -0.188) ( 0.05, 0.07, 0.33) 246: angle ( 4.414, -0.479, 25.826) ( 4.421, -0.472, 25.832) ( 0.18, 0.32, 0.02) 246: torsion ( 0.416, 2.210, -1.047) ( 0.417, 2.211, -1.046) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.704, -15.258, -4.685) ( -0.704, -15.258, -4.685) ( 0.00, 0.00, 0.00) 246: electro ( 0.137, -0.680, 0.080) ( 0.137, -0.680, 0.080) ( 0.00, 0.00, 0.00) 246: 8 ( 21.971, -40.328, -61.277) ( 21.978, -40.307, -61.265) ( 0.03, 0.05, 0.02) 246: bond ( -5.929, -10.019, 18.365) ( -5.928, -10.000, 18.373) ( 0.02, 0.19, 0.05) 246: angle ( 46.107, -45.206, -72.265) ( 46.112, -45.204, -72.261) ( 0.01, 0.00, 0.00) 246: torsion ( -8.013, -0.359, -6.006) ( -8.014, -0.359, -6.005) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -8.589, 14.436, -2.931) ( -8.588, 14.436, -2.931) ( 0.01, 0.00, 0.00) 246: electro ( -1.604, 0.820, 1.559) ( -1.604, 0.820, 1.559) ( 0.00, 0.00, 0.00) 246: 9 ( -8.675, 118.199, -17.422) ( -8.650, 118.226, -17.396) ( 0.29, 0.02, 0.15) 246: bond ( 8.295, 10.899, -26.302) ( 8.313, 10.916, -26.283) ( 0.22, 0.16, 0.07) 246: angle (-17.304, 94.705, 14.018) (-17.297, 94.714, 14.026) ( 0.04, 0.01, 0.06) 246: torsion ( 3.994, -0.046, 1.165) ( 3.994, -0.046, 1.165) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.911, 12.378, -5.954) ( -3.910, 12.379, -5.954) ( 0.00, 0.00, 0.00) 246: electro ( 0.250, 0.263, -0.349) ( 0.250, 0.263, -0.349) ( 0.00, 0.00, 0.00) 246: 10 ( 58.847, 35.904, 35.967) ( 58.875, 35.931, 35.993) ( 0.05, 0.08, 0.07) 246: bond ( 21.967, 25.002, 8.944) ( 21.986, 25.020, 8.963) ( 0.08, 0.07, 0.21) 246: angle ( 24.422, 6.592, 14.649) ( 24.431, 6.601, 14.655) ( 0.03, 0.13, 0.04) 246: torsion ( -1.003, -0.914, 4.217) ( -1.003, -0.914, 4.217) ( 0.00, 0.00, 0.02) 246: oop ( -0.150, -0.150, 0.657) ( -0.150, -0.150, 0.657) ( 0.00, 0.00, 0.00) 246: vdw ( 13.392, 5.370, 7.463) ( 13.393, 5.371, 7.463) ( 0.00, 0.01, 0.00) 246: electro ( 0.218, 0.004, 0.037) ( 0.218, 0.004, 0.037) ( 0.00, 0.00, 0.00) 246: 11 (-73.816, 15.491, -8.358) (-73.788, 15.518, -8.332) ( 0.04, 0.18, 0.31) 246: bond (-49.401, 16.876, -5.239) (-49.382, 16.894, -5.220) ( 0.04, 0.11, 0.36) 246: angle (-11.770, 5.854, 2.961) (-11.762, 5.863, 2.968) ( 0.07, 0.15, 0.22) 246: torsion ( 0.420, 0.413, -1.922) ( 0.420, 0.413, -1.921) ( 0.00, 0.00, 0.04) 246: oop ( -0.065, -0.067, 0.286) ( -0.065, -0.067, 0.286) ( 0.00, 0.00, 0.00) 246: vdw (-12.585, -7.315, -3.895) (-12.585, -7.314, -3.895) ( 0.00, 0.00, 0.00) 246: electro ( -0.415, -0.270, -0.549) ( -0.415, -0.270, -0.549) ( 0.00, 0.00, 0.00) 246: 12 (-206.624, -89.261, -8.571) (-206.581, -89.223, -8.564) ( 0.02, 0.04, 0.08) 246: bond (-70.340, 34.087, -12.502) (-70.305, 34.112, -12.501) ( 0.05, 0.07, 0.01) 246: angle (-122.367, -156.953, 9.517) (-122.358, -156.940, 9.516) ( 0.01, 0.01, 0.00) 246: torsion ( -0.121, 0.153, 0.978) ( -0.121, 0.154, 0.984) ( 0.00, 0.00, 0.58) 246: oop ( 0.003, -0.005, -0.029) ( 0.003, -0.005, -0.029) ( 0.00, 0.00, 0.00) 246: vdw (-13.551, 32.310, -6.205) (-13.551, 32.310, -6.205) ( 0.00, 0.00, 0.00) 246: electro ( -0.249, 1.146, -0.329) ( -0.249, 1.146, -0.329) ( 0.00, 0.00, 0.00) 246: 13 (-31.232, -39.660, 2.568) (-31.196, -39.624, 2.575) ( 0.12, 0.09, 0.29) 246: bond ( 14.492, -68.239, 12.073) ( 14.520, -68.213, 12.074) ( 0.19, 0.04, 0.01) 246: angle (-55.628, 15.059, -8.063) (-55.620, 15.068, -8.063) ( 0.02, 0.06, 0.00) 246: torsion ( 0.060, -0.095, -0.580) ( 0.060, -0.095, -0.574) ( 0.00, 0.00, 0.34) 246: oop ( -0.011, 0.016, 0.103) ( -0.011, 0.016, 0.104) ( 0.00, 0.00, 0.01) 246: vdw ( 10.146, 13.486, -0.949) ( 10.146, 13.486, -0.949) ( 0.00, 0.00, 0.00) 246: electro ( -0.291, 0.114, -0.015) ( -0.291, 0.114, -0.015) ( 0.00, 0.00, 0.00) 246: 14 ( 16.764, -3.594, 1.930) ( 16.799, -3.556, 1.938) ( 0.21, 1.04, 0.42) 246: bond (-72.072, -22.005, -4.451) (-72.048, -21.975, -4.449) ( 0.03, 0.14, 0.04) 246: angle ( 55.376, 21.622, 2.672) ( 55.386, 21.630, 2.672) ( 0.02, 0.03, 0.01) 246: torsion ( 0.028, -0.040, -0.269) ( 0.028, -0.040, -0.263) ( 0.00, 0.00, 0.15) 246: oop ( 0.008, -0.012, -0.076) ( 0.008, -0.012, -0.075) ( 0.00, 0.00, 0.01) 246: vdw ( 33.453, -3.053, 4.002) ( 33.454, -3.053, 4.002) ( 0.00, 0.00, 0.00) 246: electro ( -0.029, -0.106, 0.051) ( -0.029, -0.106, 0.051) ( 0.00, 0.00, 0.00) 246: 15 ( 8.467, -15.615, 2.941) ( 8.505, -15.580, 2.949) ( 0.44, 0.22, 0.27) 246: bond ( -2.650, 74.579, -11.566) ( -2.621, 74.604, -11.565) ( 1.11, 0.03, 0.01) 246: angle ( -2.162, -58.460, 8.600) ( -2.154, -58.451, 8.601) ( 0.36, 0.02, 0.00) 246: torsion ( 0.050, -0.070, -0.477) ( 0.050, -0.070, -0.471) ( 0.00, 0.00, 0.26) 246: oop ( -0.005, 0.008, 0.050) ( -0.005, 0.008, 0.051) ( 0.00, 0.00, 0.00) 246: vdw ( 12.804, -31.465, 6.212) ( 12.805, -31.464, 6.211) ( 0.00, 0.00, 0.00) 246: electro ( 0.430, -0.207, 0.121) ( 0.430, -0.207, 0.121) ( 0.00, 0.00, 0.00) 246: 16 ( 63.763, 54.797, -0.993) ( 63.799, 54.833, -0.985) ( 0.06, 0.06, 0.79) 246: bond ( 71.764, 10.866, 5.920) ( 71.791, 10.892, 5.922) ( 0.04, 0.24, 0.02) 246: angle ( 1.899, 57.441, -7.724) ( 1.908, 57.450, -7.724) ( 0.47, 0.02, 0.00) 246: torsion ( 0.025, -0.072, -0.434) ( 0.025, -0.072, -0.428) ( 0.00, 0.00, 0.26) 246: oop ( -0.014, 0.020, 0.131) ( -0.014, 0.020, 0.131) ( 0.00, 0.00, 0.01) 246: vdw ( -9.891, -13.625, 1.091) ( -9.891, -13.625, 1.091) ( 0.00, 0.00, 0.00) 246: electro ( -0.021, 0.167, 0.022) ( -0.021, 0.167, 0.022) ( 0.00, 0.00, 0.00) 246: 17 (-104.398, 269.781, -48.554) (-104.358, 269.821, -48.545) ( 0.04, 0.01, 0.02) 246: bond (-121.876, 77.612, -22.958) (-121.848, 77.645, -22.956) ( 0.02, 0.04, 0.01) 246: angle ( 52.475, 188.373, -23.225) ( 52.487, 188.380, -23.225) ( 0.02, 0.00, 0.00) 246: torsion ( -0.147, 0.296, 1.932) ( -0.147, 0.296, 1.938) ( 0.00, 0.00, 0.34) 246: oop ( 0.005, -0.007, -0.048) ( 0.005, -0.007, -0.048) ( 0.00, 0.00, 0.00) 246: vdw (-34.504, 3.961, -4.024) (-34.504, 3.961, -4.024) ( 0.00, 0.00, 0.00) 246: electro ( -0.351, -0.454, -0.231) ( -0.351, -0.454, -0.231) ( 0.00, 0.00, 0.00) 246: 18 (266.899, 64.087, 16.746) (266.934, 64.124, 16.749) ( 0.01, 0.06, 0.02) 246: bond (132.317, -0.927, 13.697) (132.343, -0.898, 13.698) ( 0.02, 2.68, 0.01) 246: angle (102.842, 120.385, -6.104) (102.851, 120.393, -6.104) ( 0.01, 0.01, 0.01) 246: torsion ( -0.378, 0.601, 4.209) ( -0.378, 0.601, 4.211) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 28.720, -49.200, 2.599) ( 28.720, -49.199, 2.599) ( 0.00, 0.00, 0.00) 246: electro ( 3.398, -6.773, 2.345) ( 3.398, -6.773, 2.345) ( 0.00, 0.00, 0.00) 246: 19 (-1538.742, 1188.788, -276.653) (-1538.710, 1188.828, -276.640) ( 0.00, 0.00, 0.00) 246: bond (-1545.879, 1191.431, -274.504) (-1545.847, 1191.469, -274.493) ( 0.00, 0.00, 0.00) 246: angle ( 1.487, -4.525, -0.024) ( 1.487, -4.523, -0.023) ( 0.01, 0.05, 0.00) 246: torsion ( 2.548, 2.036, 1.544) ( 2.548, 2.036, 1.545) ( 0.00, 0.00, 0.07) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.143, -0.004, -2.932) ( 4.144, -0.004, -2.932) ( 0.00, 0.00, 0.00) 246: electro ( -1.041, -0.150, -0.737) ( -1.041, -0.150, -0.737) ( 0.00, 0.00, 0.00) 246: 20 ( 86.436, 706.025, -101.088) ( 86.458, 706.051, -101.081) ( 0.03, 0.00, 0.01) 246: bond (151.196, 878.960, -118.276) (151.217, 878.983, -118.271) ( 0.01, 0.00, 0.00) 246: angle (-67.603, -173.081, 19.919) (-67.602, -173.079, 19.919) ( 0.00, 0.00, 0.00) 246: torsion ( 0.274, -0.460, -3.000) ( 0.274, -0.460, -2.998) ( 0.00, 0.00, 0.06) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.533, -0.331, -1.224) ( 1.533, -0.331, -1.224) ( 0.00, 0.00, 0.00) 246: electro ( 1.035, 0.938, 1.494) ( 1.035, 0.938, 1.494) ( 0.00, 0.00, 0.00) 246: 21 (1495.435, -2134.121, 408.407) (1495.458, -2134.091, 408.423) ( 0.00, 0.00, 0.00) 246: bond (1489.384, -2120.756, 422.184) (1489.406, -2120.728, 422.199) ( 0.00, 0.00, 0.00) 246: angle ( 4.342, -5.879, -12.450) ( 4.342, -5.877, -12.449) ( 0.01, 0.02, 0.01) 246: torsion ( 1.876, -6.333, 0.144) ( 1.876, -6.333, 0.145) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.735, -1.231, -1.506) ( 2.735, -1.231, -1.506) ( 0.00, 0.00, 0.00) 246: electro ( -2.902, 0.078, 0.035) ( -2.902, 0.078, 0.035) ( 0.00, 0.00, 0.00) 246: 22 (-51.923, 27.002, 1.657) (-51.916, 27.014, 1.659) ( 0.01, 0.05, 0.06) 246: bond (-20.900, -26.742, -4.766) (-20.893, -26.730, -4.766) ( 0.03, 0.04, 0.01) 246: angle ( -5.057, 1.912, 11.443) ( -5.057, 1.912, 11.444) ( 0.00, 0.00, 0.01) 246: torsion ( -3.586, 3.178, -2.103) ( -3.586, 3.178, -2.103) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-31.069, 49.001, -3.748) (-31.068, 49.002, -3.748) ( 0.00, 0.00, 0.00) 246: electro ( 8.688, -0.348, 0.831) ( 8.688, -0.348, 0.831) ( 0.00, 0.00, 0.00) 246: 23 ( -3.878, 2.588, -1.893) ( -3.870, 2.596, -1.891) ( 0.23, 0.31, 0.13) 246: bond ( -0.574, -0.525, -0.252) ( -0.566, -0.519, -0.250) ( 0.40, 0.31, 0.03) 246: angle ( -5.635, 6.083, 0.123) ( -5.633, 6.085, 0.123) ( 0.03, 0.03, 0.00) 246: torsion ( 0.329, 0.326, -1.421) ( 0.329, 0.326, -1.420) ( 0.00, 0.00, 0.07) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.425, -3.472, -0.465) ( 2.425, -3.472, -0.465) ( 0.00, 0.00, 0.00) 246: electro ( -0.424, 0.176, 0.122) ( -0.424, 0.176, 0.122) ( 0.00, 0.00, 0.00) 246: 24 ( 7.995, 5.188, -8.011) ( 7.998, 5.202, -8.008) ( 0.04, 0.26, 0.03) 246: bond ( 1.778, 9.862, -1.175) ( 1.779, 9.875, -1.175) ( 0.03, 0.14, 0.02) 246: angle ( 5.650, -2.229, -10.182) ( 5.652, -2.229, -10.180) ( 0.04, 0.01, 0.02) 246: torsion ( -3.745, 0.362, -2.628) ( -3.745, 0.362, -2.628) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.871, -2.924, 6.832) ( 3.871, -2.924, 6.832) ( 0.01, 0.00, 0.00) 246: electro ( 0.441, 0.118, -0.859) ( 0.441, 0.118, -0.859) ( 0.00, 0.00, 0.00) 246: 25 ( 3.805, 6.261, -9.494) ( 3.810, 6.265, -9.483) ( 0.15, 0.06, 0.11) 246: bond ( -0.049, -0.029, -0.085) ( -0.046, -0.027, -0.075) ( 0.02, 0.00, 0.08) 246: angle ( -0.551, 24.710, -8.633) ( -0.549, 24.712, -8.632) ( 0.12, 0.01, 0.01) 246: torsion ( 1.574, -4.084, 0.532) ( 1.574, -4.084, 0.532) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.456, -13.791, -0.063) ( 2.456, -13.791, -0.063) ( 0.00, 0.00, 0.00) 246: electro ( 0.375, -0.545, -1.244) ( 0.375, -0.545, -1.244) ( 0.00, 0.00, 0.00) 246: 26 ( -4.871, -15.773, 15.087) ( -4.869, -15.767, 15.097) ( 0.05, 0.04, 0.07) 246: bond ( -2.603, 5.540, 8.677) ( -2.602, 5.544, 8.687) ( 0.03, 0.07, 0.11) 246: angle ( -3.041, -32.251, 19.671) ( -3.039, -32.249, 19.672) ( 0.06, 0.01, 0.00) 246: torsion ( -1.919, 0.000, -0.575) ( -1.919, 0.000, -0.575) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.187, 10.150, -11.492) ( 2.187, 10.150, -11.491) ( 0.00, 0.00, 0.00) 246: electro ( 0.505, 0.787, -1.195) ( 0.505, 0.787, -1.195) ( 0.00, 0.00, 0.00) 246: 27 ( 1.735, -0.888, 2.081) ( 1.744, -0.882, 2.084) ( 0.55, 0.54, 0.14) 246: bond ( 2.163, -1.595, 0.593) ( 2.172, -1.591, 0.594) ( 0.40, 0.29, 0.04) 246: angle ( -1.176, -1.400, 0.551) ( -1.175, -1.398, 0.553) ( 0.07, 0.10, 0.13) 246: torsion ( 0.730, 1.478, 1.289) ( 0.730, 1.478, 1.289) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.029, -0.328, 0.071) ( -0.029, -0.328, 0.071) ( 0.00, 0.00, 0.00) 246: electro ( 0.046, 0.956, -0.422) ( 0.046, 0.956, -0.422) ( 0.00, 0.00, 0.00) 246: 28 ( 0.954, -5.346, -0.633) ( 0.963, -5.340, -0.630) ( 0.87, 0.12, 0.21) 246: bond ( -2.542, -1.968, -0.836) ( -2.534, -1.963, -0.835) ( 0.32, 0.25, 0.08) 246: angle ( 2.418, -3.758, 1.489) ( 2.418, -3.757, 1.492) ( 0.04, 0.04, 0.16) 246: torsion ( 0.984, -1.067, -0.477) ( 0.984, -1.067, -0.477) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.212, 0.467, -0.324) ( -0.212, 0.467, -0.324) ( 0.00, 0.00, 0.00) 246: electro ( 0.307, 0.980, -0.486) ( 0.307, 0.980, -0.486) ( 0.00, 0.00, 0.00) 246: 29 ( -2.244, 1.339, -9.097) ( -2.236, 1.344, -9.091) ( 0.34, 0.43, 0.06) 246: bond ( -1.127, 0.796, -0.929) ( -1.120, 0.799, -0.925) ( 0.57, 0.26, 0.41) 246: angle ( -2.303, -19.066, -13.691) ( -2.302, -19.064, -13.690) ( 0.05, 0.01, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.469, 18.917, 5.895) ( 1.469, 18.918, 5.895) ( 0.00, 0.00, 0.00) 246: electro ( -0.283, 0.691, -0.371) ( -0.283, 0.691, -0.371) ( 0.00, 0.00, 0.00) 246: 30 ( 0.093, -0.960, 8.322) ( 0.098, -0.956, 8.332) ( 0.05, 0.39, 0.12) 246: bond ( -3.132, -2.734, 5.362) ( -3.129, -2.732, 5.371) ( 0.10, 0.08, 0.17) 246: angle ( 3.096, 1.352, 2.493) ( 3.098, 1.354, 2.493) ( 0.06, 0.13, 0.04) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.323, 0.789, 0.324) ( 0.323, 0.789, 0.324) ( 0.00, 0.00, 0.00) 246: electro ( -0.194, -0.368, 0.143) ( -0.194, -0.368, 0.143) ( 0.00, 0.00, 0.00) 246: 31 ( 1.164, -3.174, -9.797) ( 1.168, -3.165, -9.791) ( 0.37, 0.27, 0.06) 246: bond ( 2.928, -6.193, -4.835) ( 2.929, -6.186, -4.831) ( 0.06, 0.12, 0.10) 246: angle (-14.636, 2.588, -12.191) (-14.634, 2.589, -12.190) ( 0.01, 0.04, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 14.644, 0.498, 7.769) ( 14.645, 0.498, 7.769) ( 0.00, 0.00, 0.00) 246: electro ( -1.773, -0.066, -0.540) ( -1.773, -0.066, -0.540) ( 0.00, 0.00, 0.00) 246: 32 ( 8.966, 3.718, -1.249) ( 8.973, 3.727, -1.247) ( 0.08, 0.24, 0.18) 246: bond ( 5.952, 6.761, 1.241) ( 5.959, 6.769, 1.242) ( 0.10, 0.12, 0.02) 246: angle ( 9.189, -7.564, -2.877) ( 9.190, -7.563, -2.875) ( 0.01, 0.01, 0.07) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.465, 3.912, 0.042) ( -6.465, 3.912, 0.042) ( 0.00, 0.00, 0.00) 246: electro ( 0.289, 0.609, 0.344) ( 0.289, 0.609, 0.344) ( 0.00, 0.00, 0.00) 246: 33 ( 4.858, 2.418, -8.841) ( 4.862, 2.423, -8.831) ( 0.07, 0.22, 0.11) 246: bond ( 2.541, -4.385, -6.934) ( 2.542, -4.381, -6.924) ( 0.05, 0.08, 0.13) 246: angle ( 6.028, 7.272, -2.389) ( 6.030, 7.274, -2.388) ( 0.03, 0.02, 0.03) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.260, -1.149, 0.216) ( -5.260, -1.149, 0.216) ( 0.00, 0.00, 0.00) 246: electro ( 1.549, 0.680, 0.265) ( 1.549, 0.680, 0.265) ( 0.00, 0.00, 0.00) 246: 34 ( -0.628, 0.434, 8.528) ( -0.625, 0.440, 8.538) ( 0.16, 0.28, 0.11) 246: bond ( 0.251, -3.966, 5.301) ( 0.251, -3.961, 5.311) ( 0.00, 0.13, 0.17) 246: angle ( 0.170, 4.417, 3.287) ( 0.173, 4.419, 3.287) ( 0.04, 0.03, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.706, -0.232, -1.036) ( -1.706, -0.232, -1.036) ( 0.00, 0.00, 0.00) 246: electro ( 0.657, 0.214, 0.976) ( 0.657, 0.214, 0.976) ( 0.00, 0.00, 0.00) 246: 35 ( 8.248, 6.901, -0.584) ( 8.255, 6.911, -0.583) ( 0.09, 0.15, 0.09) 246: bond ( 5.924, 8.036, -0.594) ( 5.929, 8.045, -0.594) ( 0.08, 0.12, 0.00) 246: angle ( 1.921, -1.386, 0.451) ( 1.924, -1.384, 0.451) ( 0.12, 0.08, 0.00) 246: torsion ( 0.038, -0.054, -0.357) ( 0.038, -0.054, -0.355) ( 0.00, 0.00, 0.05) 246: oop ( 0.004, -0.006, -0.040) ( 0.004, -0.006, -0.040) ( 0.00, 0.00, 0.00) 246: vdw ( 0.584, 0.227, 0.036) ( 0.584, 0.227, 0.036) ( 0.00, 0.00, 0.00) 246: electro ( -0.224, 0.084, -0.081) ( -0.224, 0.084, -0.081) ( 0.00, 0.00, 0.00) 246: 36 (-11.234, 3.388, -2.136) (-11.220, 3.392, -2.134) ( 0.13, 0.11, 0.08) 246: bond (-12.281, 1.560, -1.568) (-12.267, 1.560, -1.568) ( 0.11, 0.02, 0.02) 246: angle ( 0.218, 1.503, -0.206) ( 0.218, 1.506, -0.206) ( 0.00, 0.22, 0.00) 246: torsion ( 0.040, -0.057, -0.375) ( 0.040, -0.057, -0.373) ( 0.00, 0.00, 0.05) 246: oop ( -0.001, 0.001, 0.007) ( -0.001, 0.001, 0.007) ( 0.00, 0.00, 0.00) 246: vdw ( 0.374, 0.156, 0.019) ( 0.374, 0.156, 0.019) ( 0.00, 0.00, 0.00) 246: electro ( 0.414, 0.226, -0.013) ( 0.414, 0.226, -0.013) ( 0.00, 0.00, 0.00) 246: 37 ( -7.663, 9.470, -2.292) ( -7.657, 9.482, -2.290) ( 0.07, 0.13, 0.08) 246: bond ( -5.129, 11.363, -2.288) ( -5.126, 11.374, -2.287) ( 0.05, 0.10, 0.02) 246: angle ( -2.392, -1.097, -0.098) ( -2.389, -1.097, -0.098) ( 0.12, 0.05, 0.00) 246: torsion ( -0.006, 0.008, 0.049) ( -0.006, 0.008, 0.051) ( 0.00, 0.00, 0.01) 246: oop ( 0.004, -0.005, -0.036) ( 0.004, -0.005, -0.036) ( 0.00, 0.00, 0.00) 246: vdw ( -0.035, -0.400, 0.057) ( -0.035, -0.400, 0.057) ( 0.00, 0.00, 0.00) 246: electro ( -0.105, -0.398, 0.023) ( -0.105, -0.398, 0.023) ( 0.00, 0.00, 0.00) 246: 38 ( -7.103, -7.577, 1.149) ( -7.095, -7.567, 1.150) ( 0.10, 0.14, 0.13) 246: bond ( -6.172, -8.092, 0.595) ( -6.167, -8.083, 0.595) ( 0.09, 0.11, 0.00) 246: angle ( -0.200, 0.150, 0.009) ( -0.197, 0.151, 0.009) ( 0.04, 0.02, 0.00) 246: torsion ( -0.081, 0.120, 0.791) ( -0.081, 0.120, 0.793) ( 0.00, 0.00, 0.11) 246: oop ( 0.007, -0.010, -0.065) ( 0.007, -0.010, -0.065) ( 0.00, 0.00, 0.00) 246: vdw ( -0.021, -0.614, 0.092) ( -0.021, -0.614, 0.092) ( 0.00, 0.00, 0.00) 246: electro ( -0.636, 0.869, -0.272) ( -0.636, 0.869, -0.272) ( 0.00, 0.00, 0.00) 246: 39 ( 14.544, -46.771, 5.984) ( 14.549, -46.755, 5.985) ( 0.03, 0.03, 0.02) 246: bond (-11.935, -42.857, 4.341) (-11.933, -42.841, 4.341) ( 0.01, 0.04, 0.01) 246: angle ( 34.112, -9.074, 4.235) ( 34.116, -9.073, 4.235) ( 0.01, 0.00, 0.00) 246: torsion ( 0.147, -0.213, -1.697) ( 0.147, -0.213, -1.696) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.255, -1.843, 0.086) ( 2.255, -1.843, 0.086) ( 0.00, 0.00, 0.00) 246: electro (-10.036, 7.216, -0.981) (-10.036, 7.216, -0.980) ( 0.00, 0.00, 0.00) 246: ok 2 # gradients 246: ok 3 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( -2.416, 1.336, -0.580) ( -2.381, 1.366, -0.572) ( 1.47, 2.25, 0.45) 246: bond ( 1.668, 2.101, 0.514) ( 1.697, 2.122, 0.516) ( 1.75, 1.00, 0.10) 246: angle ( -2.813, 0.148, -0.737) ( -2.807, 0.157, -0.737) ( 0.22, 0.13, 0.03) 246: torsion ( -0.004, -0.000, 0.007) ( -0.003, -0.000, 0.013) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.503, -0.363, -0.145) ( -0.503, -0.363, -0.145) ( 0.00, 0.00, 0.00) 246: electro ( -0.764, -0.550, -0.219) ( -0.764, -0.550, -0.219) ( 0.00, 0.00, 0.00) 246: 2 (-20.144, -28.711, -6.120) (-20.107, -28.679, -6.117) ( 0.18, 0.11, 0.05) 246: bond (-23.264, -13.153, -6.554) (-23.234, -13.130, -6.552) ( 0.13, 0.17, 0.03) 246: angle ( 3.116, -15.559, 0.458) ( 3.122, -15.549, 0.455) ( 0.20, 0.06, 0.16) 246: torsion ( 0.005, 0.001, -0.024) ( 0.005, 0.001, -0.020) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 3 ( -4.496, -1.207, -1.210) ( -4.490, -1.196, -1.209) ( 0.14, 0.89, 0.14) 246: bond ( -1.865, -2.844, -0.582) ( -1.861, -2.835, -0.582) ( 0.23, 0.34, 0.02) 246: angle ( -1.717, 1.210, -0.414) ( -1.715, 1.211, -0.414) ( 0.12, 0.08, 0.01) 246: torsion ( -0.004, -0.000, 0.013) ( -0.004, -0.000, 0.014) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.757, 0.117, -0.196) ( -0.757, 0.117, -0.196) ( 0.00, 0.00, 0.00) 246: electro ( -0.153, 0.311, -0.031) ( -0.153, 0.311, -0.031) ( 0.00, 0.00, 0.00) 246: 4 ( -0.619, 3.694, -0.063) ( -0.613, 3.706, -0.062) ( 0.34, 0.32, 0.01) 246: bond ( -0.396, 0.739, -0.080) ( -0.393, 0.750, -0.080) ( 0.12, 0.83, 0.00) 246: angle ( 4.743, 2.628, 1.337) ( 4.745, 2.629, 1.337) ( 0.05, 0.03, 0.01) 246: torsion ( 0.005, 0.001, -0.019) ( 0.005, 0.001, -0.018) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.367, -0.181, -1.422) ( -5.367, -0.181, -1.422) ( 0.00, 0.00, 0.00) 246: electro ( 0.397, 0.506, 0.121) ( 0.397, 0.506, 0.121) ( 0.00, 0.00, 0.00) 246: 5 ( 14.833, -8.003, 3.652) ( 14.839, -7.991, 3.654) ( 0.04, 0.15, 0.04) 246: bond ( 6.026, -12.251, 1.200) ( 6.028, -12.240, 1.200) ( 0.05, 0.09, 0.00) 246: angle ( 7.069, 3.677, 1.984) ( 7.072, 3.677, 1.984) ( 0.04, 0.02, 0.01) 246: torsion ( 0.002, 0.000, -0.009) ( 0.002, 0.000, -0.008) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.795, -0.091, 0.207) ( 0.795, -0.091, 0.207) ( 0.00, 0.00, 0.00) 246: electro ( 0.941, 0.663, 0.270) ( 0.941, 0.663, 0.270) ( 0.00, 0.00, 0.00) 246: 6 ( 84.204, 153.028, 26.891) ( 84.228, 153.069, 26.875) ( 0.03, 0.03, 0.06) 246: bond ( 97.856, 137.509, 30.243) ( 97.875, 137.547, 30.246) ( 0.02, 0.03, 0.01) 246: angle (-19.851, 15.136, -5.020) (-19.847, 15.139, -5.039) ( 0.02, 0.02, 0.37) 246: torsion ( -0.005, -0.001, 0.018) ( -0.005, -0.001, 0.018) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.516, 0.198, 1.462) ( 5.516, 0.198, 1.462) ( 0.00, 0.00, 0.00) 246: electro ( 0.688, 0.186, 0.188) ( 0.688, 0.186, 0.188) ( 0.00, 0.00, 0.00) 246: 7 (-71.490, -120.302, -22.565) (-71.475, -120.275, -22.569) ( 0.02, 0.02, 0.02) 246: bond (-80.126, -112.242, -24.749) (-80.112, -112.215, -24.747) ( 0.02, 0.02, 0.01) 246: angle ( 9.429, -7.265, 2.419) ( 9.430, -7.264, 2.413) ( 0.01, 0.01, 0.23) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.316, 0.320, 0.094) ( 0.316, 0.320, 0.094) ( 0.00, 0.00, 0.00) 246: electro ( -1.109, -1.116, -0.328) ( -1.109, -1.116, -0.328) ( 0.00, 0.00, 0.00) 246: ok 4 # gradients 246: ok 5 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (-15.578, 12.843, -21.710) (-15.551, 12.869, -21.683) ( 0.17, 0.20, 0.12) 246: bond (-23.897, 0.009, -0.241) (-23.879, 0.028, -0.222) ( 0.08, 0.02, 0.45) 246: angle ( 9.184, 9.468, -16.237) ( 9.192, 9.475, -16.229) ( 0.09, 0.07, 0.05) 246: torsion ( -0.724, 3.315, -5.141) ( -0.724, 3.316, -5.141) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.085, -0.028, 0.049) ( 0.085, -0.028, 0.049) ( 0.00, 0.00, 0.00) 246: electro ( -0.226, 0.080, -0.140) ( -0.226, 0.080, -0.140) ( 0.00, 0.00, 0.00) 246: 2 ( 66.444, -20.112, 34.103) ( 66.479, -20.099, 34.137) ( 0.05, 0.07, 0.10) 246: bond ( 80.756, -4.206, 7.454) ( 80.781, -4.197, 7.481) ( 0.03, 0.23, 0.37) 246: angle (-14.451, -14.681, 25.955) (-14.441, -14.678, 25.961) ( 0.07, 0.02, 0.02) 246: torsion ( 0.139, -1.225, 0.694) ( 0.139, -1.224, 0.694) ( 0.00, 0.09, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 3 (-29.182, -26.066, 44.177) (-29.173, -26.060, 44.194) ( 0.03, 0.02, 0.04) 246: bond (-25.038, -24.585, 42.258) (-25.032, -24.579, 42.274) ( 0.02, 0.02, 0.04) 246: angle ( -9.303, 2.374, -4.127) ( -9.300, 2.375, -4.126) ( 0.03, 0.01, 0.02) 246: torsion ( 0.000, -0.282, -0.164) ( 0.000, -0.282, -0.164) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.203, 0.230, -0.381) ( 5.203, 0.230, -0.381) ( 0.00, 0.00, 0.00) 246: electro ( -0.044, -3.803, 6.591) ( -0.044, -3.803, 6.591) ( 0.00, 0.00, 0.00) 246: 4 ( 24.918, 38.241, -61.839) ( 24.953, 38.251, -61.810) ( 0.14, 0.03, 0.05) 246: bond (-28.645, 29.006, -49.921) (-28.619, 29.013, -49.899) ( 0.09, 0.03, 0.04) 246: angle ( 48.649, 7.158, -13.750) ( 48.659, 7.159, -13.745) ( 0.02, 0.02, 0.04) 246: torsion ( 0.017, 2.352, 1.351) ( 0.017, 2.354, 1.352) ( 0.00, 0.07, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.319, -0.635, 1.111) ( 7.319, -0.635, 1.111) ( 0.00, 0.00, 0.00) 246: electro ( -2.422, 0.360, -0.629) ( -2.422, 0.360, -0.629) ( 0.00, 0.00, 0.00) 246: 5 (-21.265, 6.874, -14.158) (-21.258, 6.878, -14.147) ( 0.03, 0.06, 0.08) 246: bond ( 1.241, 1.282, -2.290) ( 1.244, 1.286, -2.280) ( 0.26, 0.26, 0.46) 246: angle (-24.505, 6.123, -9.921) (-24.502, 6.123, -9.921) ( 0.01, 0.00, 0.00) 246: torsion ( -0.015, -1.247, -0.712) ( -0.015, -1.247, -0.712) ( 0.00, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.129, 0.078, -0.137) ( -0.129, 0.078, -0.137) ( 0.00, 0.00, 0.00) 246: electro ( 2.143, 0.638, -1.097) ( 2.143, 0.638, -1.097) ( 0.00, 0.00, 0.00) 246: 6 ( -9.157, -4.798, 7.257) ( -9.140, -4.797, 7.260) ( 0.19, 0.03, 0.04) 246: bond ( -9.043, -0.339, 0.462) ( -9.026, -0.339, 0.462) ( 0.19, 0.00, 0.00) 246: angle ( 0.755, -5.921, 10.394) ( 0.755, -5.921, 10.396) ( 0.00, 0.02, 0.03) 246: torsion ( 0.003, -0.460, -0.269) ( 0.003, -0.459, -0.269) ( 0.00, 0.02, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.127, 0.070, -0.122) ( -0.127, 0.070, -0.122) ( 0.00, 0.00, 0.00) 246: electro ( -0.745, 1.852, -3.207) ( -0.745, 1.852, -3.207) ( 0.00, 0.00, 0.00) 246: 7 ( -5.958, 3.771, 5.961) ( -5.955, 3.784, 5.963) ( 0.06, 0.35, 0.04) 246: bond ( 0.880, 2.996, -0.063) ( 0.882, 3.009, -0.063) ( 0.10, 0.43, 0.00) 246: angle ( -3.718, 1.192, 4.962) ( -3.716, 1.192, 4.964) ( 0.06, 0.01, 0.04) 246: torsion ( 0.288, -0.026, 2.823) ( 0.288, -0.026, 2.823) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.634, -0.831, -1.163) ( -3.634, -0.831, -1.163) ( 0.00, 0.00, 0.00) 246: electro ( 0.226, 0.440, -0.598) ( 0.226, 0.440, -0.598) ( 0.00, 0.00, 0.00) 246: 8 ( -5.916, -7.067, -0.309) ( -5.912, -7.062, -0.298) ( 0.06, 0.06, 0.33) 246: bond ( 0.875, -1.405, -2.611) ( 0.876, -1.402, -2.601) ( 0.10, 0.21, 0.39) 246: angle ( -3.642, -4.939, 1.435) ( -3.639, -4.938, 1.436) ( 0.06, 0.03, 0.04) 246: torsion ( 0.292, -2.437, 1.412) ( 0.292, -2.437, 1.412) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.658, 1.415, 0.141) ( -3.658, 1.415, 0.141) ( 0.00, 0.00, 0.00) 246: electro ( 0.217, 0.299, -0.686) ( 0.217, 0.299, -0.686) ( 0.00, 0.00, 0.00) 246: 9 ( -4.447, -3.770, 6.375) ( -4.443, -3.765, 6.384) ( 0.11, 0.12, 0.15) 246: bond ( 2.770, -2.821, 4.838) ( 2.773, -2.818, 4.847) ( 0.10, 0.10, 0.18) 246: angle ( -3.009, -0.788, 1.262) ( -3.008, -0.787, 1.263) ( 0.06, 0.13, 0.07) 246: torsion ( -0.000, 0.006, 0.003) ( -0.000, 0.006, 0.003) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.059, -0.299, 0.503) ( -5.059, -0.299, 0.503) ( 0.00, 0.00, 0.00) 246: electro ( 0.851, 0.134, -0.232) ( 0.851, 0.134, -0.232) ( 0.00, 0.00, 0.00) 246: ok 6 # gradients 246: ok 7 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( 67.160, 2.206, 24.780) ( 67.186, 2.233, 24.806) ( 0.04, 1.22, 0.10) 246: bond ( 22.644, -16.648, 11.930) ( 22.661, -16.629, 11.948) ( 0.08, 0.11, 0.15) 246: angle ( 37.185, 11.973, 6.180) ( 37.193, 11.982, 6.187) ( 0.02, 0.07, 0.12) 246: torsion ( -1.785, 2.458, 6.015) ( -1.785, 2.458, 6.015) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 8.865, 3.684, 0.918) ( 8.865, 3.684, 0.918) ( 0.00, 0.00, 0.00) 246: electro ( 0.251, 0.738, -0.263) ( 0.251, 0.738, -0.263) ( 0.00, 0.00, 0.00) 246: 2 (-54.056, -12.659, -38.296) (-54.035, -12.646, -38.291) ( 0.04, 0.10, 0.01) 246: bond (-48.851, -1.807, -13.473) (-48.831, -1.800, -13.471) ( 0.04, 0.40, 0.02) 246: angle (-10.253, -3.726, -7.605) (-10.252, -3.720, -7.603) ( 0.01, 0.15, 0.03) 246: torsion ( 5.048, -7.126, -17.218) ( 5.048, -7.126, -17.217) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 3 ( -9.462, 3.054, -6.871) ( -9.460, 3.067, -6.868) ( 0.03, 0.45, 0.04) 246: bond ( 0.187, 4.023, 0.769) ( 0.187, 4.037, 0.769) ( 0.00, 0.34, 0.04) 246: angle (-24.568, 2.112, -5.117) (-24.566, 2.112, -5.115) ( 0.01, 0.00, 0.04) 246: torsion ( 2.570, 0.608, -3.814) ( 2.570, 0.608, -3.814) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 9.035, -3.284, 1.316) ( 9.036, -3.284, 1.316) ( 0.00, 0.00, 0.00) 246: electro ( 3.314, -0.405, -0.025) ( 3.314, -0.405, -0.025) ( 0.00, 0.00, 0.00) 246: 4 ( -0.929, 4.323, 5.355) ( -0.918, 4.327, 5.359) ( 1.02, 0.09, 0.07) 246: bond ( -2.129, -0.870, 0.925) ( -2.119, -0.868, 0.927) ( 0.49, 0.15, 0.18) 246: angle ( -0.029, 1.460, 1.303) ( -0.028, 1.462, 1.305) ( 0.00, 0.14, 0.14) 246: torsion ( 0.179, 3.113, 3.325) ( 0.179, 3.114, 3.325) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.066, -0.008, -0.008) ( -0.066, -0.008, -0.008) ( 0.00, 0.00, 0.00) 246: electro ( 1.117, 0.628, -0.190) ( 1.117, 0.628, -0.190) ( 0.00, 0.00, 0.00) 246: 5 ( -7.077, -6.899, 0.843) ( -7.075, -6.896, 0.857) ( 0.03, 0.04, 1.16) 246: bond ( 0.021, -0.314, -1.873) ( 0.021, -0.313, -1.860) ( 0.00, 0.01, 0.73) 246: angle ( -6.502, -3.846, 0.573) ( -6.499, -3.843, 0.573) ( 0.03, 0.06, 0.00) 246: torsion ( -2.778, -3.682, 0.588) ( -2.778, -3.682, 0.588) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.685, 0.034, 0.553) ( 0.685, 0.034, 0.553) ( 0.00, 0.00, 0.00) 246: electro ( 1.496, 0.908, 1.002) ( 1.496, 0.908, 1.002) ( 0.00, 0.00, 0.00) 246: 6 (-17.237, 28.530, -1.904) (-17.205, 28.562, -1.894) ( 0.19, 0.11, 0.55) 246: bond ( -4.210, 31.977, -15.446) ( -4.178, 32.002, -15.437) ( 0.75, 0.08, 0.06) 246: angle ( 1.764, -12.053, 5.716) ( 1.765, -12.047, 5.717) ( 0.01, 0.05, 0.02) 246: torsion ( -3.310, 4.741, 11.339) ( -3.310, 4.741, 11.339) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -7.040, 3.119, -1.982) ( -7.040, 3.120, -1.982) ( 0.00, 0.00, 0.00) 246: electro ( -4.442, 0.747, -1.531) ( -4.442, 0.747, -1.531) ( 0.00, 0.00, 0.00) 246: 7 ( 39.537, -11.561, 18.250) ( 39.556, -11.555, 18.255) ( 0.05, 0.05, 0.03) 246: bond ( 32.188, -14.882, 16.406) ( 32.207, -14.877, 16.411) ( 0.06, 0.03, 0.03) 246: angle ( 2.414, 4.058, -1.058) ( 2.414, 4.059, -1.058) ( 0.02, 0.04, 0.01) 246: torsion ( -0.273, 0.396, 0.895) ( -0.273, 0.396, 0.895) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.203, -0.065, 0.084) ( 0.203, -0.065, 0.084) ( 0.00, 0.00, 0.00) 246: electro ( 5.005, -1.067, 1.924) ( 5.005, -1.067, 1.924) ( 0.00, 0.00, 0.00) 246: 8 (-18.049, -7.109, -2.227) (-18.049, -7.091, -2.224) ( 0.00, 0.24, 0.17) 246: bond ( 0.051, -1.569, 0.709) ( 0.051, -1.551, 0.712) ( 0.00, 1.10, 0.26) 246: angle ( -0.026, -0.004, -0.006) ( -0.026, -0.004, -0.006) ( 0.00, 0.00, 0.00) 246: torsion ( 0.349, -0.508, -1.131) ( 0.349, -0.508, -1.131) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.682, -3.480, -0.882) (-11.682, -3.480, -0.882) ( 0.00, 0.00, 0.00) 246: electro ( -6.742, -1.548, -0.918) ( -6.742, -1.548, -0.918) ( 0.00, 0.00, 0.00) 246: ok 8 # gradients 246: ok 9 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( 52.387, -74.873, 129.946) ( 52.410, -74.851, 129.962) ( 0.04, 0.03, 0.01) 246: bond ( 44.647, -63.177, 109.681) ( 44.664, -63.162, 109.690) ( 0.04, 0.02, 0.01) 246: angle ( 7.753, -11.692, 20.276) ( 7.758, -11.686, 20.282) ( 0.07, 0.05, 0.03) 246: torsion ( -0.013, -0.004, -0.010) ( -0.013, -0.004, -0.010) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 2 ( -3.482, 5.998, -10.520) ( -3.455, 6.026, -10.493) ( 0.79, 0.46, 0.26) 246: bond ( -2.128, 0.003, 0.008) ( -2.108, 0.023, 0.029) ( 0.92, 0.01, 0.02) 246: angle ( -6.969, 4.291, -7.559) ( -6.962, 4.299, -7.552) ( 0.11, 0.18, 0.09) 246: torsion ( -0.000, 0.006, -0.002) ( 0.000, 0.006, -0.002) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.786, 1.739, -3.039) ( 5.786, 1.739, -3.039) ( 0.00, 0.01, 0.00) 246: electro ( -0.172, -0.041, 0.071) ( -0.172, -0.041, 0.071) ( 0.00, 0.00, 0.00) 246: 3 (-13.747, 4.615, -10.582) (-13.719, 4.643, -10.554) ( 0.21, 0.59, 0.26) 246: bond ( 0.559, 1.981, -0.095) ( 0.579, 2.001, -0.075) ( 1.12, 0.99, 0.19) 246: angle ( -1.658, 7.834, -7.537) ( -1.651, 7.842, -7.530) ( 0.46, 0.10, 0.09) 246: torsion ( 0.006, -0.002, 0.014) ( 0.006, -0.002, 0.014) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-12.755, -5.343, -3.034) (-12.755, -5.343, -3.034) ( 0.00, 0.00, 0.00) 246: electro ( 0.101, 0.145, 0.071) ( 0.101, 0.145, 0.071) ( 0.00, 0.00, 0.00) 246: 4 (-13.936, 6.910, -9.592) (-13.908, 6.938, -9.565) ( 0.20, 0.40, 0.28) 246: bond ( 0.682, -0.990, -1.830) ( 0.702, -0.970, -1.810) ( 1.37, 1.98, 1.08) 246: angle ( -1.826, 2.713, -10.797) ( -1.818, 2.721, -10.789) ( 0.42, 0.27, 0.07) 246: torsion ( -0.001, 0.005, -0.004) ( -0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-12.893, 5.316, 3.128) (-12.892, 5.316, 3.128) ( 0.00, 0.00, 0.00) 246: electro ( 0.101, -0.134, -0.090) ( 0.101, -0.134, -0.090) ( 0.00, 0.00, 0.00) 246: 5 (-25.904, 128.140, -0.201) (-25.900, 128.153, -0.199) ( 0.02, 0.01, 0.05) 246: bond (-44.104, 124.539, -0.001) (-44.102, 124.552, 0.000) ( 0.00, 0.01, 0.00) 246: angle ( 2.105, 0.746, -0.030) ( 2.107, 0.746, -0.028) ( 0.09, 0.02, 0.01) 246: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.081, 2.805, 0.042) ( 15.081, 2.805, 0.042) ( 0.00, 0.00, 0.00) 246: electro ( 1.014, 0.050, -0.212) ( 1.014, 0.050, -0.212) ( 0.00, 0.00, 0.00) 246: 6 (-41.125, -62.438, 108.322) (-41.121, -62.433, 108.332) ( 0.01, 0.01, 0.01) 246: bond (-44.022, -62.301, 107.873) (-44.020, -62.298, 107.882) ( 0.00, 0.01, 0.01) 246: angle ( 2.401, -0.335, 0.787) ( 2.403, -0.333, 0.788) ( 0.08, 0.05, 0.05) 246: torsion ( -0.000, 0.002, 0.001) ( 0.000, 0.002, 0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.085, -0.035, 0.060) ( -0.085, -0.035, 0.060) ( 0.00, 0.00, 0.00) 246: electro ( 0.580, 0.231, -0.400) ( 0.580, 0.231, -0.400) ( 0.00, 0.00, 0.00) 246: 7 (-25.293, -63.902, -111.322) (-25.288, -63.897, -111.312) ( 0.02, 0.01, 0.01) 246: bond (-44.001, -62.281, -107.920) (-43.999, -62.278, -107.911) ( 0.00, 0.01, 0.01) 246: angle ( 2.450, -0.318, -0.818) ( 2.452, -0.317, -0.817) ( 0.08, 0.05, 0.05) 246: torsion ( -0.000, -0.004, 0.002) ( 0.000, -0.004, 0.002) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.243, -1.456, -2.437) ( 15.244, -1.456, -2.437) ( 0.00, 0.00, 0.00) 246: electro ( 1.015, 0.158, -0.150) ( 1.015, 0.158, -0.150) ( 0.00, 0.00, 0.00) 246: 8 (130.829, -5.135, -1.747) (130.843, -5.132, -1.745) ( 0.01, 0.06, 0.15) 246: bond (132.182, -0.001, -0.001) (132.197, 0.000, 0.000) ( 0.01, 0.00, 0.00) 246: angle ( -0.000, -2.186, -0.045) ( 0.000, -2.183, -0.043) ( 0.00, 0.10, 0.01) 246: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.859, -2.328, -1.348) ( -0.859, -2.328, -1.348) ( 0.00, 0.00, 0.00) 246: electro ( -0.495, -0.621, -0.353) ( -0.495, -0.621, -0.353) ( 0.00, 0.00, 0.00) 246: 9 (-47.847, 57.535, 107.082) (-47.843, 57.540, 107.092) ( 0.01, 0.01, 0.01) 246: bond (-44.022, 62.294, 107.873) (-44.020, 62.298, 107.882) ( 0.00, 0.01, 0.01) 246: angle ( -1.070, -2.139, 0.797) ( -1.068, -2.137, 0.798) ( 0.16, 0.08, 0.05) 246: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.321, -1.993, -1.141) ( -2.321, -1.993, -1.141) ( 0.00, 0.00, 0.00) 246: electro ( -0.435, -0.628, -0.447) ( -0.435, -0.628, -0.447) ( 0.00, 0.00, 0.00) 246: 10 (-47.394, 54.137, -107.992) (-47.390, 54.143, -107.982) ( 0.01, 0.01, 0.01) 246: bond (-43.959, 62.203, -107.816) (-43.957, 62.206, -107.807) ( 0.00, 0.01, 0.01) 246: angle ( -1.055, -2.187, -0.832) ( -1.053, -2.186, -0.832) ( 0.17, 0.08, 0.05) 246: torsion ( 0.004, -0.002, -0.003) ( 0.004, -0.002, -0.003) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.994, -4.924, 0.658) ( -1.994, -4.924, 0.658) ( 0.00, 0.00, 0.00) 246: electro ( -0.391, -0.952, 0.001) ( -0.391, -0.952, 0.001) ( 0.00, 0.00, 0.00) 246: 11 (130.831, 4.001, 3.571) (130.845, 4.004, 3.574) ( 0.01, 0.07, 0.08) 246: bond (132.183, -0.035, -0.070) (132.197, -0.035, -0.070) ( 0.01, 0.00, 0.00) 246: angle ( 0.001, 1.081, 1.938) ( 0.001, 1.083, 1.940) ( 0.00, 0.18, 0.11) 246: torsion ( -0.000, 0.005, -0.003) ( -0.000, 0.005, -0.003) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.859, 2.334, 1.344) ( -0.859, 2.334, 1.344) ( 0.00, 0.00, 0.00) 246: electro ( -0.494, 0.616, 0.362) ( -0.494, 0.616, 0.362) ( 0.00, 0.00, 0.00) 246: 12 (-47.569, 66.412, -100.996) (-47.565, 66.418, -100.985) ( 0.01, 0.01, 0.01) 246: bond (-44.072, 62.288, -107.890) (-44.070, 62.292, -107.881) ( 0.00, 0.01, 0.01) 246: angle ( -1.090, 1.766, 1.465) ( -1.088, 1.768, 1.465) ( 0.16, 0.09, 0.05) 246: torsion ( -0.005, -0.004, 0.000) ( -0.005, -0.004, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.011, 1.886, 4.604) ( -2.011, 1.886, 4.604) ( 0.00, 0.00, 0.00) 246: electro ( -0.390, 0.475, 0.826) ( -0.390, 0.475, 0.826) ( 0.00, 0.00, 0.00) 246: 13 (-47.912, -121.563, 3.871) (-47.908, -121.550, 3.874) ( 0.01, 0.01, 0.07) 246: bond (-44.066, -124.643, 0.069) (-44.064, -124.631, 0.070) ( 0.00, 0.01, 0.00) 246: angle ( -1.083, 0.383, 2.316) ( -1.082, 0.384, 2.318) ( 0.16, 0.01, 0.09) 246: torsion ( 0.009, -0.003, 0.005) ( 0.009, -0.003, 0.005) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.336, 1.998, 1.161) ( -2.336, 1.998, 1.161) ( 0.00, 0.00, 0.00) 246: electro ( -0.435, 0.702, 0.320) ( -0.435, 0.702, 0.320) ( 0.00, 0.00, 0.00) 246: ok 10 # gradients 246: ok 11 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (-271.138, 383.042, -663.507) (-271.125, 383.054, -663.501) ( 0.00, 0.00, 0.00) 246: bond (-217.378, 307.591, -532.902) (-217.370, 307.598, -532.901) ( 0.00, 0.00, 0.00) 246: angle (-53.753, 75.453, -130.601) (-53.749, 75.457, -130.596) ( 0.01, 0.01, 0.00) 246: torsion ( -0.006, -0.002, -0.005) ( -0.006, -0.002, -0.004) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 2 (770.692, -25.809, 44.488) (770.715, -25.784, 44.512) ( 0.00, 0.10, 0.05) 246: bond (788.238, 0.006, 0.011) (788.254, 0.024, 0.029) ( 0.00, 0.01, 0.02) 246: angle (-26.180, -28.418, 49.021) (-26.173, -28.411, 49.028) ( 0.03, 0.02, 0.01) 246: torsion ( -0.000, 0.003, -0.001) ( 0.000, 0.003, -0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 9.043, 2.698, -4.714) ( 9.043, 2.698, -4.714) ( 0.00, 0.01, 0.00) 246: electro ( -0.409, -0.098, 0.170) ( -0.409, -0.098, 0.170) ( 0.00, 0.00, 0.00) 246: 3 (-246.459, -735.886, 44.420) (-246.434, -735.862, 44.444) ( 0.01, 0.00, 0.05) 246: bond (-263.274, -743.035, -0.093) (-263.257, -743.019, -0.075) ( 0.01, 0.00, 0.16) 246: angle ( 35.493, 15.072, 49.043) ( 35.500, 15.079, 49.050) ( 0.02, 0.05, 0.01) 246: torsion ( 0.003, -0.001, 0.006) ( 0.003, -0.001, 0.006) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-18.922, -8.267, -4.707) (-18.922, -8.267, -4.707) ( 0.00, 0.00, 0.00) 246: electro ( 0.241, 0.346, 0.170) ( 0.241, 0.346, 0.170) ( 0.00, 0.00, 0.00) 246: 4 (-246.256, 329.681, 659.355) (-246.231, 329.705, 659.379) ( 0.01, 0.01, 0.00) 246: bond (-262.685, 371.683, 643.520) (-262.668, 371.701, 643.537) ( 0.01, 0.00, 0.00) 246: angle ( 35.311, -49.918, 11.219) ( 35.318, -49.912, 11.226) ( 0.02, 0.01, 0.06) 246: torsion ( -0.001, 0.002, -0.002) ( -0.000, 0.002, -0.002) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-19.122, 8.234, 4.833) (-19.122, 8.234, 4.833) ( 0.00, 0.00, 0.00) 246: electro ( 0.241, -0.320, -0.215) ( 0.241, -0.320, -0.215) ( 0.00, 0.00, 0.00) 246: 5 (-11.489, 135.972, -0.102) (-11.484, 135.985, -0.100) ( 0.04, 0.01, 0.02) 246: bond (-45.231, 127.721, -0.001) (-45.228, 127.733, 0.000) ( 0.00, 0.01, 0.00) 246: angle ( 8.533, 3.022, -0.030) ( 8.535, 3.022, -0.028) ( 0.02, 0.01, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 24.859, 5.186, 0.011) ( 24.859, 5.186, 0.011) ( 0.00, 0.00, 0.00) 246: electro ( 0.350, 0.044, -0.082) ( 0.350, 0.044, -0.082) ( 0.00, 0.00, 0.00) 246: 6 (-36.115, -65.266, 113.222) (-36.111, -65.261, 113.232) ( 0.01, 0.01, 0.01) 246: bond (-45.146, -63.893, 110.628) (-45.144, -63.889, 110.638) ( 0.00, 0.01, 0.01) 246: angle ( 8.798, -1.462, 2.746) ( 8.800, -1.461, 2.747) ( 0.02, 0.10, 0.02) 246: torsion ( -0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.037, 0.008, -0.014) ( 0.037, 0.008, -0.014) ( 0.00, 0.00, 0.00) 246: electro ( 0.197, 0.081, -0.140) ( 0.197, 0.081, -0.140) ( 0.00, 0.00, 0.00) 246: 7 (-10.816, -67.901, -118.066) (-10.812, -67.896, -118.056) ( 0.04, 0.01, 0.01) 246: bond (-45.125, -63.872, -110.677) (-45.123, -63.868, -110.667) ( 0.00, 0.01, 0.01) 246: angle ( 8.836, -1.443, -2.772) ( 8.838, -1.442, -2.771) ( 0.02, 0.10, 0.02) 246: torsion ( -0.000, -0.002, 0.001) ( 0.000, -0.002, 0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 25.121, -2.633, -4.539) ( 25.122, -2.633, -4.539) ( 0.00, 0.00, 0.00) 246: electro ( 0.351, 0.049, -0.079) ( 0.351, 0.049, -0.079) ( 0.00, 0.00, 0.00) 246: 8 (133.977, -13.687, -2.770) (133.991, -13.684, -2.767) ( 0.01, 0.02, 0.09) 246: bond (135.558, -0.001, -0.001) (135.572, 0.000, 0.000) ( 0.01, 0.00, 0.00) 246: angle ( -0.000, -9.007, -0.044) ( 0.000, -9.005, -0.042) ( 0.00, 0.02, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.421, -4.461, -2.588) ( -1.421, -4.461, -2.588) ( 0.00, 0.00, 0.00) 246: electro ( -0.160, -0.219, -0.137) ( -0.160, -0.219, -0.137) ( 0.00, 0.00, 0.00) 246: 9 (-54.376, 52.198, 110.874) (-54.372, 52.203, 110.884) ( 0.01, 0.01, 0.01) 246: bond (-45.146, 63.885, 110.628) (-45.144, 63.889, 110.638) ( 0.00, 0.01, 0.01) 246: angle ( -4.271, -7.796, 2.758) ( -4.269, -7.794, 2.759) ( 0.04, 0.02, 0.02) 246: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.788, -3.684, -2.353) ( -4.788, -3.684, -2.353) ( 0.00, 0.00, 0.00) 246: electro ( -0.171, -0.208, -0.159) ( -0.171, -0.208, -0.159) ( 0.00, 0.00, 0.00) 246: 10 (-53.750, 46.610, -112.293) (-53.747, 46.615, -112.283) ( 0.01, 0.01, 0.01) 246: bond (-45.082, 63.793, -110.573) (-45.080, 63.796, -110.563) ( 0.00, 0.01, 0.01) 246: angle ( -4.250, -7.836, -2.789) ( -4.249, -7.835, -2.788) ( 0.04, 0.02, 0.02) 246: torsion ( 0.002, -0.001, -0.001) ( 0.002, -0.001, -0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.265, -9.021, 1.090) ( -4.265, -9.021, 1.090) ( 0.00, 0.00, 0.00) 246: electro ( -0.155, -0.325, -0.020) ( -0.155, -0.325, -0.020) ( 0.00, 0.00, 0.00) 246: 11 (133.984, 9.161, 10.464) (133.998, 9.163, 10.466) ( 0.01, 0.03, 0.02) 246: bond (135.558, -0.036, -0.072) (135.572, -0.036, -0.071) ( 0.01, 0.00, 0.00) 246: angle ( 0.005, 4.491, 7.842) ( 0.005, 4.493, 7.844) ( 0.00, 0.04, 0.02) 246: torsion ( -0.000, 0.002, -0.001) ( -0.000, 0.002, -0.001) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.419, 4.476, 2.574) ( -1.419, 4.476, 2.574) ( 0.00, 0.00, 0.00) 246: electro ( -0.160, 0.228, 0.121) ( -0.160, 0.228, 0.121) ( 0.00, 0.00, 0.00) 246: 12 (-53.944, 73.905, -96.608) (-53.940, 73.910, -96.597) ( 0.01, 0.01, 0.01) 246: bond (-45.198, 63.879, -110.646) (-45.196, 63.883, -110.636) ( 0.00, 0.01, 0.01) 246: angle ( -4.286, 6.292, 5.384) ( -4.284, 6.294, 5.384) ( 0.04, 0.02, 0.01) 246: torsion ( -0.002, -0.002, 0.000) ( -0.002, -0.002, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.303, 3.555, 8.383) ( -4.303, 3.555, 8.383) ( 0.00, 0.00, 0.00) 246: electro ( -0.155, 0.180, 0.272) ( -0.155, 0.180, 0.272) ( 0.00, 0.00, 0.00) 246: 13 (-54.454, -122.162, 10.382) (-54.450, -122.149, 10.385) ( 0.01, 0.01, 0.02) 246: bond (-45.191, -127.826, 0.071) (-45.189, -127.813, 0.071) ( 0.00, 0.01, 0.00) 246: angle ( -4.274, 1.515, 8.186) ( -4.272, 1.515, 8.188) ( 0.04, 0.01, 0.02) 246: torsion ( 0.004, -0.001, 0.002) ( 0.004, -0.001, 0.002) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.822, 3.908, 2.023) ( -4.822, 3.908, 2.023) ( 0.00, 0.00, 0.00) 246: electro ( -0.171, 0.242, 0.100) ( -0.171, 0.242, 0.100) ( 0.00, 0.00, 0.00) 246: ok 12 # gradients 246: ok 13 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( 5.260, -5.148, -2.361) ( 5.295, -5.114, -2.351) ( 0.66, 0.67, 0.43) 246: bond ( 24.503, -13.273, -6.986) ( 24.527, -13.246, -6.983) ( 0.10, 0.20, 0.05) 246: angle ( 5.776, 8.041, 2.076) ( 5.785, 8.048, 2.077) ( 0.17, 0.09, 0.04) 246: torsion ( 0.111, -0.262, 0.581) ( 0.111, -0.261, 0.587) ( 0.00, 0.02, 0.30) 246: oop ( -0.010, 0.041, -0.129) ( -0.010, 0.041, -0.128) ( 0.00, 0.00, 0.01) 246: vdw (-24.970, 0.489, 2.359) (-24.969, 0.489, 2.359) ( 0.00, 0.00, 0.00) 246: electro ( -0.150, -0.184, -0.263) ( -0.150, -0.184, -0.263) ( 0.00, 0.00, 0.00) 246: 2 ( 21.589, -5.064, -1.366) ( 21.626, -5.032, -1.356) ( 0.17, 0.65, 0.72) 246: bond ( 28.371, -14.839, -6.987) ( 28.399, -14.815, -6.984) ( 0.10, 0.16, 0.04) 246: angle ( 5.127, -11.898, -4.480) ( 5.136, -11.890, -4.479) ( 0.16, 0.07, 0.02) 246: torsion ( -0.039, -0.121, 0.555) ( -0.039, -0.120, 0.560) ( 0.00, 0.01, 0.29) 246: oop ( 0.053, -0.261, 0.756) ( 0.053, -0.261, 0.757) ( 0.00, 0.00, 0.05) 246: vdw (-11.673, 22.514, 9.309) (-11.673, 22.514, 9.309) ( 0.00, 0.00, 0.00) 246: electro ( -0.250, -0.460, -0.520) ( -0.250, -0.460, -0.520) ( 0.00, 0.00, 0.00) 246: 3 (-20.508, 13.173, -15.744) (-20.471, 13.206, -15.734) ( 0.18, 0.25, 0.07) 246: bond (-12.501, -44.238, -14.912) (-12.473, -44.215, -14.908) ( 0.23, 0.05, 0.02) 246: angle ( 5.010, 29.663, 10.345) ( 5.018, 29.671, 10.346) ( 0.17, 0.03, 0.01) 246: torsion ( -0.498, 1.296, -4.211) ( -0.498, 1.297, -4.205) ( 0.00, 0.05, 0.12) 246: oop ( -0.099, 0.419, -1.199) ( -0.098, 0.419, -1.198) ( 0.00, 0.00, 0.06) 246: vdw (-11.894, 26.583, -4.757) (-11.893, 26.583, -4.756) ( 0.01, 0.00, 0.00) 246: electro ( -0.527, -0.549, -1.012) ( -0.527, -0.549, -1.012) ( 0.00, 0.00, 0.00) 246: 4 (-74.893, -26.370, -29.390) (-74.856, -26.335, -29.379) ( 0.05, 0.13, 0.04) 246: bond (-72.784, 16.430, 10.408) (-72.758, 16.456, 10.412) ( 0.04, 0.16, 0.04) 246: angle (-19.957, -39.249, -23.098) (-19.947, -39.241, -23.096) ( 0.05, 0.02, 0.01) 246: torsion ( -0.579, 1.308, -5.329) ( -0.579, 1.309, -5.324) ( 0.00, 0.06, 0.09) 246: oop ( -0.078, 0.279, -0.667) ( -0.078, 0.279, -0.667) ( 0.00, 0.00, 0.01) 246: vdw ( 17.836, -5.464, -11.173) ( 17.837, -5.464, -11.173) ( 0.00, 0.00, 0.00) 246: electro ( 0.668, 0.326, 0.469) ( 0.668, 0.326, 0.469) ( 0.00, 0.00, 0.00) 246: 5 (-30.629, -6.041, 27.219) (-30.591, -6.009, 27.229) ( 0.12, 0.54, 0.04) 246: bond (-35.335, 32.570, 16.427) (-35.307, 32.594, 16.431) ( 0.08, 0.07, 0.02) 246: angle (-11.648, -7.912, -1.789) (-11.639, -7.904, -1.788) ( 0.07, 0.10, 0.06) 246: torsion ( 1.790, -7.107, 18.634) ( 1.790, -7.107, 18.639) ( 0.00, 0.01, 0.03) 246: oop ( 0.322, -1.081, 3.045) ( 0.322, -1.081, 3.045) ( 0.00, 0.01, 0.02) 246: vdw ( 13.738, -22.556, -8.840) ( 13.738, -22.555, -8.840) ( 0.00, 0.00, 0.00) 246: electro ( 0.504, 0.044, -0.258) ( 0.504, 0.044, -0.258) ( 0.00, 0.00, 0.00) 246: 6 ( 13.714, 4.272, -1.854) ( 13.751, 4.304, -1.844) ( 0.27, 0.77, 0.55) 246: bond ( 38.529, 26.713, 5.049) ( 38.558, 26.736, 5.053) ( 0.07, 0.09, 0.07) 246: angle ( -9.725, 0.549, 1.163) ( -9.716, 0.557, 1.164) ( 0.08, 0.45, 0.09) 246: torsion ( -0.017, 0.655, -0.559) ( -0.017, 0.656, -0.554) ( 0.00, 0.04, 0.28) 246: oop ( -0.037, 0.144, -0.360) ( -0.037, 0.145, -0.359) ( 0.00, 0.00, 0.03) 246: vdw (-15.307, -23.860, -6.973) (-15.307, -23.860, -6.973) ( 0.00, 0.00, 0.00) 246: electro ( 0.271, 0.070, -0.175) ( 0.271, 0.070, -0.175) ( 0.00, 0.00, 0.00) 246: 7 (155.062, 58.275, 140.792) (155.097, 58.294, 140.814) ( 0.02, 0.03, 0.02) 246: bond (123.692, 55.388, 93.502) (123.718, 55.400, 93.517) ( 0.02, 0.02, 0.02) 246: angle ( 50.368, 29.010, 24.472) ( 50.376, 29.016, 24.477) ( 0.02, 0.02, 0.02) 246: torsion ( -8.787, -46.879, 31.890) ( -8.786, -46.878, 31.891) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.248, 21.884, -9.351) ( -5.248, 21.885, -9.351) ( 0.00, 0.00, 0.00) 246: electro ( -4.963, -1.128, 0.280) ( -4.963, -1.128, 0.280) ( 0.00, 0.00, 0.00) 246: 8 (-55.997, 21.994, 41.099) (-55.960, 22.008, 41.133) ( 0.07, 0.07, 0.08) 246: bond (-124.586, -15.539, -11.759) (-124.560, -15.529, -11.729) ( 0.02, 0.06, 0.25) 246: angle ( 60.058, 66.972, 82.045) ( 60.068, 66.975, 82.050) ( 0.02, 0.00, 0.01) 246: torsion ( -3.015, -4.995, -33.899) ( -3.015, -4.994, -33.900) ( 0.00, 0.02, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 8.161, -23.778, 4.119) ( 8.161, -23.777, 4.119) ( 0.00, 0.00, 0.00) 246: electro ( 3.385, -0.667, 0.594) ( 3.385, -0.667, 0.594) ( 0.00, 0.00, 0.00) 246: 9 ( -4.626, -55.968, -86.986) ( -4.618, -55.961, -86.966) ( 0.17, 0.01, 0.02) 246: bond ( 33.790, -47.731, -90.141) ( 33.793, -47.725, -90.122) ( 0.01, 0.01, 0.02) 246: angle (-60.901, -11.446, -16.774) (-60.898, -11.446, -16.774) ( 0.01, 0.00, 0.00) 246: torsion ( -1.721, 40.864, -22.286) ( -1.721, 40.864, -22.286) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 29.386, -37.753, 45.421) ( 29.387, -37.752, 45.422) ( 0.00, 0.00, 0.00) 246: electro ( -5.180, 0.098, -3.207) ( -5.180, 0.098, -3.207) ( 0.00, 0.00, 0.00) 246: 10 (875.543, -1004.615, -67.954) (875.579, -1004.581, -67.945) ( 0.00, 0.00, 0.01) 246: bond (939.244, -991.164, -28.908) (939.277, -991.135, -28.901) ( 0.00, 0.00, 0.02) 246: angle (-69.172, -9.984, -73.622) (-69.169, -9.979, -73.620) ( 0.00, 0.05, 0.00) 246: torsion ( 3.542, -1.685, 33.660) ( 3.543, -1.685, 33.660) ( 0.00, 0.02, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.743, -1.844, 0.105) ( 1.743, -1.844, 0.105) ( 0.00, 0.01, 0.00) 246: electro ( 0.186, 0.063, 0.811) ( 0.186, 0.063, 0.811) ( 0.00, 0.00, 0.00) 246: 11 ( 23.100, -113.050, 57.542) ( 23.136, -113.014, 57.549) ( 0.15, 0.03, 0.01) 246: bond (-93.024, -80.287, 13.134) (-92.999, -80.260, 13.137) ( 0.03, 0.03, 0.03) 246: angle (110.080, -19.203, 59.248) (110.089, -19.195, 59.249) ( 0.01, 0.04, 0.00) 246: torsion ( 4.856, -8.992, -13.058) ( 4.856, -8.992, -13.056) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.131, -4.357, -2.302) ( 2.131, -4.357, -2.302) ( 0.01, 0.00, 0.00) 246: electro ( -0.942, -0.210, 0.520) ( -0.942, -0.210, 0.520) ( 0.00, 0.00, 0.00) 246: 12 ( 15.143, -27.766, -22.308) ( 15.177, -27.732, -22.303) ( 0.23, 0.12, 0.02) 246: bond (-47.709, 41.747, -8.556) (-47.682, 41.771, -8.555) ( 0.06, 0.06, 0.01) 246: angle ( 61.470, -59.892, 6.134) ( 61.477, -59.882, 6.136) ( 0.01, 0.02, 0.03) 246: torsion ( 0.115, -3.935, -16.158) ( 0.115, -3.935, -16.156) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.791, -6.546, 1.962) ( -2.791, -6.546, 1.962) ( 0.00, 0.00, 0.00) 246: electro ( 4.059, 0.859, -5.691) ( 4.059, 0.859, -5.691) ( 0.00, 0.00, 0.00) 246: 13 (-1137.252, -377.437, -32.765) (-1137.216, -377.407, -32.759) ( 0.00, 0.01, 0.02) 246: bond (-1094.636, -401.172, -36.735) (-1094.607, -401.144, -36.730) ( 0.00, 0.01, 0.01) 246: angle (-12.380, 1.580, -0.589) (-12.374, 1.581, -0.589) ( 0.05, 0.08, 0.01) 246: torsion ( 0.047, 0.779, 1.225) ( 0.047, 0.779, 1.226) ( 0.00, 0.00, 0.10) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-29.960, 21.326, 3.138) (-29.959, 21.327, 3.138) ( 0.00, 0.00, 0.00) 246: electro ( -0.323, 0.049, 0.196) ( -0.323, 0.049, 0.196) ( 0.00, 0.00, 0.00) 246: 14 (260.439, 1601.601, 42.043) (260.471, 1601.637, 42.053) ( 0.01, 0.00, 0.03) 246: bond (272.029, 1597.553, 19.991) (272.058, 1597.589, 20.000) ( 0.01, 0.00, 0.05) 246: angle (-14.439, 2.075, 1.537) (-14.436, 2.075, 1.537) ( 0.02, 0.00, 0.00) 246: torsion ( 0.332, -0.786, 20.047) ( 0.332, -0.786, 20.048) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.662, 2.649, 0.254) ( 2.662, 2.649, 0.254) ( 0.01, 0.00, 0.00) 246: electro ( -0.146, 0.111, 0.214) ( -0.146, 0.111, 0.214) ( 0.00, 0.00, 0.00) 246: 15 ( 57.542, -120.911, -34.639) ( 57.578, -120.875, -34.632) ( 0.06, 0.03, 0.02) 246: bond ( 48.171, -80.391, -8.660) ( 48.199, -80.365, -8.659) ( 0.06, 0.03, 0.01) 246: angle ( 10.637, -59.373, -5.034) ( 10.644, -59.363, -5.034) ( 0.07, 0.02, 0.00) 246: torsion ( -2.988, -1.203, -22.337) ( -2.988, -1.203, -22.332) ( 0.00, 0.00, 0.02) 246: oop ( 0.011, -0.008, 0.152) ( 0.011, -0.008, 0.152) ( 0.00, 0.00, 0.00) 246: vdw ( 1.570, 20.372, 1.417) ( 1.570, 20.373, 1.417) ( 0.00, 0.00, 0.00) 246: electro ( 0.142, -0.309, -0.178) ( 0.142, -0.309, -0.178) ( 0.00, 0.00, 0.00) 246: 16 (-56.235, -50.392, 7.997) (-56.199, -50.355, 8.005) ( 0.06, 0.07, 0.09) 246: bond ( 12.036, -78.103, -10.446) ( 12.062, -78.076, -10.445) ( 0.22, 0.03, 0.01) 246: angle (-49.064, 17.676, 7.076) (-49.055, 17.684, 7.076) ( 0.02, 0.05, 0.00) 246: torsion ( 0.992, -0.564, 7.080) ( 0.992, -0.564, 7.085) ( 0.02, 0.01, 0.08) 246: oop ( 0.053, -0.039, 0.344) ( 0.053, -0.039, 0.345) ( 0.00, 0.00, 0.02) 246: vdw (-20.514, 10.870, 4.689) (-20.513, 10.870, 4.688) ( 0.00, 0.00, 0.00) 246: electro ( 0.261, -0.231, -0.745) ( 0.261, -0.231, -0.745) ( 0.00, 0.00, 0.00) 246: 17 ( 9.152, 29.790, 6.800) ( 9.187, 29.827, 6.808) ( 0.38, 0.13, 0.11) 246: bond ( 27.062, 61.293, 3.726) ( 27.088, 61.322, 3.727) ( 0.09, 0.05, 0.03) 246: angle ( 11.473, -19.158, -4.514) ( 11.482, -19.150, -4.513) ( 0.08, 0.04, 0.00) 246: torsion ( 0.986, -0.675, 6.162) ( 0.986, -0.675, 6.167) ( 0.01, 0.00, 0.09) 246: oop ( -0.012, 0.009, -0.074) ( -0.012, 0.009, -0.073) ( 0.00, 0.00, 0.01) 246: vdw (-30.693, -11.779, 1.910) (-30.693, -11.779, 1.910) ( 0.00, 0.00, 0.00) 246: electro ( 0.336, 0.100, -0.410) ( 0.336, 0.100, -0.410) ( 0.00, 0.00, 0.00) 246: 18 (-10.892, 2.830, 3.149) (-10.855, 2.865, 3.156) ( 0.34, 1.22, 0.23) 246: bond (-26.108, 11.489, 3.751) (-26.079, 11.513, 3.752) ( 0.11, 0.21, 0.02) 246: angle ( 17.655, 11.443, -0.386) ( 17.663, 11.452, -0.386) ( 0.05, 0.08, 0.01) 246: torsion ( 0.023, -0.004, 0.922) ( 0.023, -0.004, 0.928) ( 0.00, 0.00, 0.52) 246: oop ( 0.054, -0.057, 0.611) ( 0.054, -0.057, 0.612) ( 0.00, 0.00, 0.05) 246: vdw ( -2.621, -20.472, -1.573) ( -2.621, -20.472, -1.573) ( 0.00, 0.00, 0.00) 246: electro ( 0.104, 0.432, -0.177) ( 0.104, 0.432, -0.177) ( 0.00, 0.00, 0.00) 246: 19 ( -6.706, 41.818, 5.067) ( -6.670, 41.854, 5.074) ( 0.53, 0.09, 0.14) 246: bond ( 14.817, 44.410, 2.107) ( 14.843, 44.438, 2.107) ( 0.18, 0.06, 0.02) 246: angle (-43.553, 13.281, 5.879) (-43.544, 13.290, 5.879) ( 0.02, 0.06, 0.00) 246: torsion ( 0.360, -0.156, 1.756) ( 0.360, -0.156, 1.761) ( 0.00, 0.00, 0.32) 246: oop ( -0.056, 0.054, -0.676) ( -0.056, 0.054, -0.675) ( 0.00, 0.00, 0.05) 246: vdw ( 21.895, -15.986, -3.850) ( 21.895, -15.985, -3.850) ( 0.00, 0.00, 0.00) 246: electro ( -0.168, 0.214, -0.149) ( -0.168, 0.214, -0.149) ( 0.00, 0.00, 0.00) 246: 20 ( 33.861, -14.075, -4.471) ( 33.896, -14.037, -4.464) ( 0.10, 0.27, 0.17) 246: bond (-68.040, 7.618, 7.671) (-68.016, 7.647, 7.672) ( 0.04, 0.38, 0.01) 246: angle ( 76.836, -12.707, -9.348) ( 76.845, -12.699, -9.347) ( 0.01, 0.06, 0.00) 246: torsion ( 0.614, 0.590, 2.084) ( 0.614, 0.590, 2.090) ( 0.00, 0.00, 0.27) 246: oop ( -0.077, 0.050, -0.633) ( -0.077, 0.050, -0.633) ( 0.00, 0.00, 0.04) 246: vdw ( 24.478, -9.518, -4.065) ( 24.478, -9.517, -4.065) ( 0.00, 0.01, 0.00) 246: electro ( 0.052, -0.108, -0.180) ( 0.052, -0.108, -0.180) ( 0.00, 0.00, 0.00) 246: 21 (-75.195, -94.709, -19.957) (-75.167, -94.680, -19.932) ( 0.04, 0.03, 0.13) 246: bond ( 19.062, -134.756, 15.494) ( 19.079, -134.736, 15.511) ( 0.09, 0.02, 0.11) 246: angle (-89.681, 26.976, -66.234) (-89.670, 26.985, -66.227) ( 0.01, 0.03, 0.01) 246: torsion ( -3.611, 9.328, 32.657) ( -3.611, 9.329, 32.658) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.154, 3.733, -1.804) ( -1.154, 3.733, -1.804) ( 0.01, 0.00, 0.00) 246: electro ( 0.189, 0.010, -0.070) ( 0.189, 0.010, -0.070) ( 0.00, 0.00, 0.00) 246: 22 (-43.849, 35.946, 22.482) (-43.823, 35.972, 22.509) ( 0.06, 0.07, 0.12) 246: bond ( -1.607, 16.616, 5.991) ( -1.588, 16.634, 6.010) ( 1.16, 0.11, 0.31) 246: angle (-44.070, -0.727, 18.021) (-44.063, -0.719, 18.029) ( 0.02, 0.57, 0.05) 246: torsion ( 0.893, -0.137, 1.141) ( 0.893, -0.137, 1.141) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.119, 19.447, -1.705) ( 0.119, 19.448, -1.705) ( 0.00, 0.00, 0.00) 246: electro ( 0.815, 0.747, -0.966) ( 0.815, 0.747, -0.966) ( 0.00, 0.00, 0.00) 246: 23 ( 40.128, 62.376, -18.735) ( 40.155, 62.403, -18.709) ( 0.07, 0.04, 0.14) 246: bond ( 7.688, 25.680, -0.842) ( 7.706, 25.698, -0.823) ( 0.23, 0.07, 1.60) 246: angle ( 45.824, 9.442, -7.751) ( 45.832, 9.449, -7.744) ( 0.02, 0.08, 0.09) 246: torsion ( 1.073, -0.468, 3.006) ( 1.073, -0.468, 3.006) ( 0.01, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-15.139, 27.642, -12.904) (-15.139, 27.642, -12.904) ( 0.00, 0.00, 0.00) 246: electro ( 0.683, 0.081, -0.245) ( 0.683, 0.081, -0.245) ( 0.00, 0.00, 0.00) 246: 24 (-35.350, 24.158, -20.842) (-35.322, 24.186, -20.816) ( 0.08, 0.12, 0.12) 246: bond (-17.074, -20.890, 6.795) (-17.055, -20.874, 6.814) ( 0.11, 0.08, 0.28) 246: angle (-34.211, 74.889, -31.291) (-34.202, 74.900, -31.285) ( 0.03, 0.01, 0.02) 246: torsion ( 0.030, -0.597, -2.797) ( 0.030, -0.597, -2.797) ( 0.00, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.941, -29.333, 6.141) ( 15.941, -29.332, 6.141) ( 0.00, 0.00, 0.00) 246: electro ( -0.036, 0.090, 0.311) ( -0.036, 0.090, 0.311) ( 0.00, 0.00, 0.00) 246: 25 ( -4.005, -35.757, 9.757) ( -3.978, -35.729, 9.783) ( 0.68, 0.08, 0.27) 246: bond (-19.308, -21.655, 3.878) (-19.290, -21.638, 3.896) ( 0.09, 0.08, 0.48) 246: angle (-12.970, -44.781, 10.202) (-12.962, -44.772, 10.210) ( 0.07, 0.02, 0.08) 246: torsion ( 0.291, -1.681, -0.670) ( 0.291, -1.681, -0.669) ( 0.00, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 28.060, 32.404, -3.626) ( 28.061, 32.404, -3.626) ( 0.00, 0.00, 0.00) 246: electro ( -0.078, -0.042, -0.027) ( -0.078, -0.042, -0.027) ( 0.00, 0.00, 0.00) 246: 26 (-12.718, 32.035, -17.139) (-12.693, 32.063, -17.112) ( 0.20, 0.09, 0.16) 246: bond ( 26.194, -4.992, -20.042) ( 26.211, -4.974, -20.024) ( 0.06, 0.36, 0.09) 246: angle (-34.739, 37.730, -1.113) (-34.730, 37.740, -1.104) ( 0.02, 0.03, 0.80) 246: torsion ( -1.357, 1.201, 3.532) ( -1.357, 1.201, 3.533) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.664, -2.061, -0.071) ( -2.664, -2.061, -0.071) ( 0.01, 0.00, 0.00) 246: electro ( -0.152, 0.156, 0.554) ( -0.152, 0.156, 0.554) ( 0.00, 0.00, 0.00) 246: 27 (-21.880, -34.632, -0.479) (-21.853, -34.605, -0.453) ( 0.12, 0.08, 1.27) 246: bond (-14.761, -7.627, -1.929) (-14.743, -7.610, -1.910) ( 0.12, 0.23, 0.95) 246: angle (-11.619, -28.651, -4.838) (-11.610, -28.642, -4.830) ( 0.07, 0.03, 0.16) 246: torsion ( 0.246, -1.631, 2.532) ( 0.246, -1.631, 2.532) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.254, 3.276, 3.753) ( 4.254, 3.276, 3.753) ( 0.01, 0.00, 0.00) 246: electro ( -0.001, 0.001, 0.002) ( -0.001, 0.001, 0.002) ( 0.00, 0.00, 0.00) 246: 28 (-68.563, 7.677, 62.614) (-68.536, 7.704, 62.641) ( 0.04, 0.35, 0.04) 246: bond ( -6.862, 14.567, 27.689) ( -6.845, 14.586, 27.706) ( 0.25, 0.13, 0.06) 246: angle (-56.818, -9.228, 33.605) (-56.808, -9.219, 33.614) ( 0.02, 0.09, 0.03) 246: torsion ( -0.326, 6.423, 2.908) ( -0.326, 6.423, 2.908) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.961, -4.071, -1.336) ( -6.960, -4.071, -1.336) ( 0.01, 0.00, 0.00) 246: electro ( 2.404, -0.015, -0.252) ( 2.404, -0.015, -0.252) ( 0.00, 0.00, 0.00) 246: 29 ( 97.566, 39.234, 49.639) ( 97.592, 39.261, 49.667) ( 0.03, 0.07, 0.06) 246: bond ( 38.958, 1.760, -15.397) ( 38.975, 1.780, -15.379) ( 0.04, 1.10, 0.12) 246: angle ( 47.662, 38.092, 64.344) ( 47.671, 38.100, 64.354) ( 0.02, 0.02, 0.01) 246: torsion ( -0.571, -2.671, 1.376) ( -0.571, -2.671, 1.376) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.548, 2.593, 0.651) ( 11.548, 2.593, 0.651) ( 0.00, 0.00, 0.00) 246: electro ( -0.031, -0.541, -1.335) ( -0.031, -0.541, -1.335) ( 0.00, 0.00, 0.00) 246: 30 (-211.241, 2.375, -460.366) (-211.218, 2.392, -460.326) ( 0.01, 0.73, 0.01) 246: bond (-93.984, 105.320, -344.512) (-93.969, 105.332, -344.479) ( 0.02, 0.01, 0.01) 246: angle (-135.067, -96.566, -99.825) (-135.060, -96.561, -99.819) ( 0.01, 0.01, 0.01) 246: torsion ( 3.176, -4.069, 1.071) ( 3.176, -4.069, 1.071) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.760, -1.588, -9.710) ( 11.761, -1.588, -9.710) ( 0.00, 0.00, 0.00) 246: electro ( 2.875, -0.722, -7.390) ( 2.875, -0.723, -7.390) ( 0.00, 0.00, 0.00) 246: 31 ( 84.573, -65.899, 260.818) ( 84.577, -65.890, 260.838) ( 0.00, 0.01, 0.01) 246: bond (-23.042, -129.937, 215.320) (-23.041, -129.929, 215.340) ( 0.01, 0.01, 0.01) 246: angle (104.345, 56.237, 45.097) (104.348, 56.238, 45.097) ( 0.00, 0.00, 0.00) 246: torsion ( -1.582, 2.176, 1.144) ( -1.582, 2.176, 1.144) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.150, 6.735, -1.246) ( 7.150, 6.735, -1.246) ( 0.00, 0.00, 0.00) 246: electro ( -2.298, -1.110, 0.503) ( -2.298, -1.110, 0.503) ( 0.00, 0.00, 0.00) 246: 32 (153.921, 45.857, 101.832) (153.929, 45.858, 101.846) ( 0.01, 0.00, 0.01) 246: bond ( 88.385, 2.775, 131.073) ( 88.390, 2.774, 131.086) ( 0.01, 0.02, 0.01) 246: angle ( 29.465, 35.231, -20.615) ( 29.466, 35.233, -20.614) ( 0.00, 0.00, 0.00) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 40.401, 7.952, -10.988) ( 40.402, 7.952, -10.988) ( 0.00, 0.00, 0.00) 246: electro ( -4.330, -0.101, 2.362) ( -4.330, -0.101, 2.362) ( 0.00, 0.00, 0.00) 246: 33 ( 34.599, 8.773, 17.015) ( 34.601, 8.792, 17.029) ( 0.01, 0.23, 0.09) 246: bond ( -0.931, -0.094, 13.188) ( -0.931, -0.076, 13.198) ( 0.00, 0.17, 0.08) 246: angle ( 37.679, -5.459, 3.706) ( 37.681, -5.457, 3.710) ( 0.01, 0.03, 0.12) 246: torsion ( -2.198, 0.487, -0.359) ( -2.198, 0.487, -0.359) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.106, 13.218, 8.037) ( 6.106, 13.219, 8.037) ( 0.01, 0.00, 0.00) 246: electro ( -6.057, 0.619, -7.557) ( -6.057, 0.619, -7.557) ( 0.00, 0.00, 0.00) 246: 34 ( 33.130, 5.463, -20.134) ( 33.150, 5.466, -20.118) ( 0.06, 0.05, 0.08) 246: bond ( 36.819, 7.564, -22.250) ( 36.835, 7.564, -22.238) ( 0.04, 0.01, 0.06) 246: angle ( 20.113, 0.836, -26.169) ( 20.115, 0.838, -26.166) ( 0.01, 0.17, 0.01) 246: torsion ( 0.873, -4.115, -0.376) ( 0.873, -4.115, -0.376) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-19.554, 7.633, 28.136) (-19.553, 7.633, 28.136) ( 0.01, 0.00, 0.00) 246: electro ( -5.121, -6.454, 0.526) ( -5.121, -6.454, 0.526) ( 0.00, 0.00, 0.00) 246: 35 ( -1.397, -2.301, -2.598) ( -1.382, -2.298, -2.596) ( 1.02, 0.14, 0.07) 246: bond ( -0.207, 0.003, 0.020) ( -0.193, 0.003, 0.021) ( 0.30, 0.00, 0.00) 246: angle ( -0.154, -3.078, -1.048) ( -0.154, -3.075, -1.048) ( 0.00, 0.10, 0.03) 246: torsion ( -0.177, 0.616, -1.738) ( -0.177, 0.616, -1.737) ( 0.00, 0.01, 0.07) 246: oop ( -0.010, 0.032, -0.094) ( -0.010, 0.032, -0.094) ( 0.00, 0.00, 0.00) 246: vdw ( -0.430, 0.011, 0.053) ( -0.430, 0.011, 0.053) ( 0.00, 0.00, 0.00) 246: electro ( -0.419, 0.115, 0.210) ( -0.419, 0.115, 0.210) ( 0.00, 0.00, 0.00) 246: 36 ( -3.638, -2.095, 2.460) ( -3.633, -2.084, 2.463) ( 0.16, 0.52, 0.11) 246: bond ( -0.077, 0.125, 0.050) ( -0.074, 0.135, 0.052) ( 0.02, 0.13, 0.01) 246: angle ( -4.012, -2.038, -0.376) ( -4.009, -2.037, -0.376) ( 0.07, 0.03, 0.00) 246: torsion ( 0.205, -0.846, 2.500) ( 0.205, -0.846, 2.501) ( 0.00, 0.01, 0.05) 246: oop ( -0.015, 0.069, -0.201) ( -0.015, 0.069, -0.201) ( 0.00, 0.00, 0.00) 246: vdw ( -0.199, 0.358, 0.149) ( -0.199, 0.358, 0.149) ( 0.00, 0.00, 0.00) 246: electro ( 0.459, 0.237, 0.338) ( 0.459, 0.237, 0.338) ( 0.00, 0.00, 0.00) 246: 37 ( -2.211, -0.190, -2.679) ( -2.204, -0.179, -2.676) ( 0.31, 0.20, 0.09) 246: bond ( 0.399, 0.635, 0.185) ( 0.403, 0.645, 0.186) ( 0.15, 0.62, 0.02) 246: angle ( 13.594, -7.458, -3.603) ( 13.596, -7.457, -3.603) ( 0.02, 0.01, 0.01) 246: torsion ( 0.415, -1.567, 4.535) ( 0.415, -1.567, 4.536) ( 0.00, 0.01, 0.03) 246: oop ( 0.038, -0.140, 0.405) ( 0.038, -0.140, 0.406) ( 0.00, 0.00, 0.00) 246: vdw (-17.930, 8.881, -5.857) (-17.930, 8.881, -5.856) ( 0.00, 0.00, 0.00) 246: electro ( 1.275, -0.541, 1.656) ( 1.275, -0.541, 1.656) ( 0.00, 0.00, 0.00) 246: 38 ( 9.311, 1.352, -6.637) ( 9.316, 1.363, -6.634) ( 0.06, 0.81, 0.04) 246: bond ( 1.512, -2.888, -1.076) ( 1.515, -2.878, -1.074) ( 0.19, 0.35, 0.13) 246: angle ( 10.740, 5.305, 0.937) ( 10.743, 5.306, 0.937) ( 0.03, 0.01, 0.00) 246: torsion ( -0.305, 1.578, -4.657) ( -0.305, 1.578, -4.656) ( 0.00, 0.01, 0.03) 246: oop ( -0.137, 0.409, -1.289) ( -0.137, 0.409, -1.289) ( 0.00, 0.00, 0.01) 246: vdw ( -1.519, -2.932, -0.753) ( -1.519, -2.932, -0.753) ( 0.00, 0.00, 0.00) 246: electro ( -0.980, -0.120, 0.202) ( -0.980, -0.120, 0.202) ( 0.00, 0.00, 0.00) 246: 39 ( 1.298, -0.194, -7.079) ( 1.305, -0.183, -7.077) ( 0.51, 0.21, 0.03) 246: bond ( -0.224, -0.345, -0.086) ( -0.220, -0.335, -0.086) ( 0.09, 0.33, 0.01) 246: angle ( 2.452, -1.417, -0.765) ( 2.455, -1.417, -0.765) ( 0.10, 0.06, 0.02) 246: torsion ( -0.666, 1.960, -5.949) ( -0.666, 1.960, -5.948) ( 0.00, 0.01, 0.02) 246: oop ( -0.029, 0.088, -0.271) ( -0.029, 0.088, -0.271) ( 0.00, 0.00, 0.00) 246: vdw ( -0.201, -0.365, -0.080) ( -0.201, -0.365, -0.080) ( 0.00, 0.00, 0.00) 246: electro ( -0.034, -0.115, 0.073) ( -0.034, -0.115, 0.073) ( 0.00, 0.00, 0.00) 246: 40 (-27.304, 17.741, -19.481) (-27.298, 17.750, -19.474) ( 0.02, 0.05, 0.04) 246: bond ( -4.047, 6.668, 5.962) ( -4.044, 6.676, 5.968) ( 0.07, 0.12, 0.11) 246: angle (-32.259, -8.720, -12.106) (-32.256, -8.719, -12.106) ( 0.01, 0.00, 0.00) 246: torsion ( 6.889, 17.653, -15.079) ( 6.889, 17.653, -15.078) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.215, -0.181, 0.385) ( 0.215, -0.181, 0.385) ( 0.00, 0.00, 0.00) 246: electro ( 1.899, 2.322, 1.356) ( 1.899, 2.322, 1.356) ( 0.00, 0.00, 0.00) 246: 41 (-10.604, -14.059, 10.085) (-10.592, -14.053, 10.085) ( 0.11, 0.05, 0.01) 246: bond ( 13.925, -8.026, 2.285) ( 13.936, -8.022, 2.285) ( 0.08, 0.04, 0.01) 246: angle ( -0.807, -1.358, 0.155) ( -0.806, -1.357, 0.156) ( 0.04, 0.10, 0.00) 246: torsion ( 0.151, -0.329, -2.076) ( 0.151, -0.329, -2.076) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-22.770, -3.334, 8.228) (-22.769, -3.333, 8.228) ( 0.00, 0.04, 0.00) 246: electro ( -1.103, -1.013, 1.492) ( -1.103, -1.013, 1.492) ( 0.00, 0.00, 0.00) 246: 42 ( 0.370, 6.728, -6.496) ( 0.381, 6.735, -6.494) ( 0.40, 0.11, 0.03) 246: bond (-12.221, 8.165, 2.759) (-12.211, 8.170, 2.760) ( 0.08, 0.05, 0.02) 246: angle ( 12.308, 18.327, 0.205) ( 12.309, 18.329, 0.205) ( 0.01, 0.01, 0.00) 246: torsion ( -2.872, 2.247, -19.362) ( -2.872, 2.247, -19.361) ( 0.00, 0.00, 0.01) 246: oop ( -0.023, 0.017, -0.155) ( -0.023, 0.017, -0.154) ( 0.00, 0.00, 0.00) 246: vdw ( 3.920, -22.664, 8.579) ( 3.920, -22.664, 8.579) ( 0.00, 0.00, 0.00) 246: electro ( -0.741, 0.636, 1.477) ( -0.741, 0.636, 1.477) ( 0.00, 0.00, 0.00) 246: 43 ( -2.306, 1.427, 5.607) ( -2.294, 1.432, 5.609) ( 0.55, 0.36, 0.03) 246: bond ( -0.821, -0.350, 0.047) ( -0.809, -0.347, 0.047) ( 1.00, 0.08, 0.00) 246: angle ( -1.083, 2.567, 0.368) ( -1.083, 2.570, 0.368) ( 0.05, 0.11, 0.00) 246: torsion ( 0.510, -0.522, 4.938) ( 0.510, -0.522, 4.939) ( 0.00, 0.00, 0.03) 246: oop ( -0.007, 0.007, -0.067) ( -0.007, 0.007, -0.067) ( 0.00, 0.00, 0.00) 246: vdw ( -0.522, -0.099, -0.057) ( -0.522, -0.099, -0.057) ( 0.00, 0.00, 0.00) 246: electro ( -0.384, -0.177, 0.379) ( -0.384, -0.177, 0.379) ( 0.00, 0.00, 0.00) 246: 44 ( -5.986, -2.975, 2.681) ( -5.983, -2.961, 2.682) ( 0.06, 0.48, 0.06) 246: bond ( -0.296, -2.388, -0.213) ( -0.295, -2.374, -0.213) ( 0.01, 0.59, 0.00) 246: angle ( -5.715, 0.653, 0.641) ( -5.711, 0.653, 0.641) ( 0.06, 0.00, 0.00) 246: torsion ( 0.220, -0.241, 2.378) ( 0.220, -0.241, 2.380) ( 0.00, 0.00, 0.06) 246: oop ( -0.015, 0.016, -0.163) ( -0.015, 0.016, -0.163) ( 0.00, 0.00, 0.00) 246: vdw ( -0.067, -0.429, -0.052) ( -0.067, -0.429, -0.052) ( 0.00, 0.00, 0.00) 246: electro ( -0.113, -0.587, 0.089) ( -0.113, -0.587, 0.089) ( 0.00, 0.00, 0.00) 246: 45 ( -4.994, -6.103, -3.487) ( -4.984, -6.096, -3.486) ( 0.21, 0.12, 0.05) 246: bond ( -0.789, 0.563, 0.120) ( -0.780, 0.568, 0.120) ( 0.73, 0.28, 0.00) 246: angle ( -4.396, -6.013, -0.114) ( -4.395, -6.011, -0.114) ( 0.03, 0.04, 0.00) 246: torsion ( -0.359, 0.325, -3.865) ( -0.359, 0.325, -3.864) ( 0.00, 0.00, 0.04) 246: oop ( 0.031, -0.024, 0.318) ( 0.031, -0.024, 0.318) ( 0.00, 0.00, 0.00) 246: vdw ( 0.303, -0.582, -0.053) ( 0.303, -0.582, -0.053) ( 0.00, 0.00, 0.00) 246: electro ( 0.216, -0.371, 0.107) ( 0.216, -0.371, 0.107) ( 0.00, 0.00, 0.00) 246: 46 ( -7.361, -5.194, -4.599) ( -7.348, -5.189, -4.597) ( 0.18, 0.11, 0.03) 246: bond ( 2.238, 0.795, -0.211) ( 2.250, 0.797, -0.210) ( 0.57, 0.13, 0.00) 246: angle (-10.695, 31.175, 3.704) (-10.695, 31.178, 3.704) ( 0.00, 0.01, 0.00) 246: torsion ( -0.176, 0.042, -1.728) ( -0.176, 0.042, -1.727) ( 0.00, 0.00, 0.08) 246: oop ( 0.041, -0.027, 0.336) ( 0.041, -0.027, 0.336) ( 0.00, 0.00, 0.00) 246: vdw ( 1.682, -36.672, -6.719) ( 1.682, -36.671, -6.719) ( 0.00, 0.00, 0.00) 246: electro ( -0.450, -0.507, 0.018) ( -0.450, -0.507, 0.018) ( 0.00, 0.00, 0.00) 246: 47 ( 4.005, 15.631, 18.729) ( 4.010, 15.635, 18.741) ( 0.12, 0.02, 0.06) 246: bond ( 9.903, 3.121, 20.511) ( 9.906, 3.121, 20.522) ( 0.03, 0.01, 0.05) 246: angle ( -5.970, 10.337, 1.308) ( -5.968, 10.340, 1.308) ( 0.03, 0.03, 0.04) 246: torsion ( 0.647, 3.917, -0.908) ( 0.647, 3.917, -0.908) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.318, -1.545, -2.238) ( -0.318, -1.545, -2.238) ( 0.00, 0.00, 0.00) 246: electro ( -0.257, -0.199, 0.056) ( -0.257, -0.199, 0.056) ( 0.00, 0.00, 0.00) 246: 48 ( 9.842, 10.206, -5.039) ( 9.854, 10.212, -5.036) ( 0.12, 0.05, 0.05) 246: bond ( -2.986, -1.468, -0.385) ( -2.974, -1.465, -0.385) ( 0.38, 0.18, 0.01) 246: angle ( 10.696, -22.969, 4.762) ( 10.696, -22.967, 4.764) ( 0.00, 0.01, 0.05) 246: torsion ( 1.009, -2.897, 3.227) ( 1.009, -2.897, 3.227) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.209, 38.024, -13.364) ( 1.209, 38.025, -13.364) ( 0.00, 0.00, 0.00) 246: electro ( -0.087, -0.483, 0.722) ( -0.087, -0.483, 0.722) ( 0.00, 0.00, 0.00) 246: 49 ( 4.853, -4.015, -5.505) ( 4.856, -4.013, -5.491) ( 0.07, 0.05, 0.24) 246: bond ( -1.510, 0.203, -5.553) ( -1.509, 0.203, -5.539) ( 0.07, 0.00, 0.24) 246: angle ( 5.932, -9.411, -1.962) ( 5.934, -9.409, -1.962) ( 0.04, 0.02, 0.01) 246: torsion ( 1.808, 3.507, -0.364) ( 1.808, 3.507, -0.364) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.168, 2.278, 2.124) ( -1.168, 2.278, 2.124) ( 0.00, 0.00, 0.00) 246: electro ( -0.210, -0.592, 0.251) ( -0.210, -0.592, 0.251) ( 0.00, 0.00, 0.00) 246: 50 ( 6.321, -10.163, 5.748) ( 6.324, -10.150, 5.751) ( 0.05, 0.13, 0.05) 246: bond ( 2.117, -12.995, 3.296) ( 2.118, -12.982, 3.297) ( 0.02, 0.10, 0.03) 246: angle ( 23.690, 2.886, -3.858) ( 23.692, 2.886, -3.856) ( 0.01, 0.01, 0.06) 246: torsion ( -2.667, -1.040, -2.383) ( -2.667, -1.040, -2.383) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-16.674, 1.224, 8.402) (-16.674, 1.224, 8.402) ( 0.00, 0.00, 0.00) 246: electro ( -0.144, -0.238, 0.291) ( -0.144, -0.238, 0.291) ( 0.00, 0.00, 0.00) 246: 51 (-11.159, 0.824, 1.383) (-11.152, 0.828, 1.391) ( 0.07, 0.31, 0.61) 246: bond ( 1.143, -0.477, -1.327) ( 1.148, -0.476, -1.320) ( 0.50, 0.05, 0.56) 246: angle ( 5.083, -23.043, 12.744) ( 5.085, -23.041, 12.745) ( 0.03, 0.01, 0.01) 246: torsion ( 1.056, -0.829, 1.218) ( 1.056, -0.829, 1.218) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-18.079, 25.401, -11.494) (-18.079, 25.401, -11.494) ( 0.00, 0.00, 0.00) 246: electro ( -0.361, -0.226, 0.242) ( -0.361, -0.226, 0.242) ( 0.00, 0.00, 0.00) 246: 52 ( 1.887, -12.873, 2.635) ( 1.891, -12.862, 2.638) ( 0.25, 0.09, 0.13) 246: bond ( 5.865, -12.571, 4.407) ( 5.867, -12.561, 4.409) ( 0.04, 0.08, 0.03) 246: angle (-16.261, -5.126, 7.034) (-16.259, -5.126, 7.035) ( 0.01, 0.01, 0.03) 246: torsion ( 0.084, -0.277, -0.902) ( 0.084, -0.277, -0.902) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 12.154, 5.201, -8.000) ( 12.154, 5.201, -7.999) ( 0.00, 0.00, 0.00) 246: electro ( 0.045, -0.099, 0.095) ( 0.045, -0.099, 0.095) ( 0.00, 0.00, 0.00) 246: 53 ( -4.015, -6.216, -4.357) ( -4.010, -6.213, -4.346) ( 0.14, 0.05, 0.25) 246: bond ( -2.836, -1.117, -4.722) ( -2.832, -1.116, -4.712) ( 0.13, 0.05, 0.21) 246: angle ( 3.989, -18.137, 1.897) ( 3.991, -18.135, 1.898) ( 0.04, 0.01, 0.04) 246: torsion ( -0.395, 0.435, 0.134) ( -0.395, 0.435, 0.134) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.529, 12.962, -1.841) ( -4.529, 12.962, -1.841) ( 0.00, 0.00, 0.00) 246: electro ( -0.244, -0.358, 0.175) ( -0.244, -0.358, 0.175) ( 0.00, 0.00, 0.00) 246: 54 ( 22.763, 4.803, 12.149) ( 22.766, 4.808, 12.161) ( 0.01, 0.10, 0.10) 246: bond ( 0.180, 1.829, -4.169) ( 0.180, 1.831, -4.157) ( 0.00, 0.12, 0.28) 246: angle ( 0.722, 24.102, 10.649) ( 0.724, 24.104, 10.649) ( 0.19, 0.01, 0.00) 246: torsion ( 0.581, 0.985, 0.459) ( 0.581, 0.985, 0.459) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 21.197, -22.786, 4.730) ( 21.197, -22.785, 4.730) ( 0.00, 0.00, 0.00) 246: electro ( 0.083, 0.673, 0.480) ( 0.083, 0.673, 0.480) ( 0.00, 0.00, 0.00) 246: 55 ( 21.127, 4.033, -4.874) ( 21.130, 4.041, -4.866) ( 0.01, 0.21, 0.16) 246: bond ( 0.015, -0.237, -0.235) ( 0.015, -0.230, -0.228) ( 0.00, 0.17, 0.16) 246: angle ( 17.782, 11.471, -10.444) ( 17.784, 11.472, -10.444) ( 0.01, 0.01, 0.01) 246: torsion ( -0.521, -0.663, 0.636) ( -0.521, -0.663, 0.636) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.327, -6.987, 3.715) ( 2.327, -6.987, 3.715) ( 0.01, 0.00, 0.00) 246: electro ( 1.525, 0.449, 1.454) ( 1.525, 0.449, 1.454) ( 0.00, 0.00, 0.00) 246: 56 ( 3.908, 1.796, -13.266) ( 3.911, 1.802, -13.254) ( 0.08, 0.30, 0.09) 246: bond ( 0.874, 8.800, -15.941) ( 0.874, 8.804, -15.930) ( 0.01, 0.04, 0.07) 246: angle ( -5.575, -7.591, -4.500) ( -5.572, -7.589, -4.500) ( 0.04, 0.02, 0.01) 246: torsion ( 1.423, -0.373, -0.128) ( 1.423, -0.373, -0.128) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.032, 0.080, 6.647) ( 7.033, 0.080, 6.647) ( 0.01, 0.00, 0.00) 246: electro ( 0.153, 0.879, 0.657) ( 0.153, 0.879, 0.657) ( 0.00, 0.00, 0.00) 246: 57 ( -0.993, 9.172, 6.879) ( -0.990, 9.180, 6.888) ( 0.32, 0.09, 0.12) 246: bond ( -0.691, 10.301, 11.010) ( -0.691, 10.308, 11.018) ( 0.01, 0.06, 0.07) 246: angle ( 1.902, -2.517, 2.472) ( 1.905, -2.516, 2.473) ( 0.13, 0.04, 0.04) 246: torsion ( -1.228, 1.073, -1.081) ( -1.228, 1.073, -1.081) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.546, 0.031, -5.692) ( -0.545, 0.031, -5.692) ( 0.03, 0.00, 0.00) 246: electro ( -0.430, 0.284, 0.170) ( -0.430, 0.284, 0.170) ( 0.00, 0.00, 0.00) 246: 58 ( -3.180, -10.598, 1.768) ( -3.177, -10.591, 1.778) ( 0.08, 0.07, 0.56) 246: bond ( -0.166, -6.219, 7.992) ( -0.166, -6.213, 8.001) ( 0.00, 0.09, 0.11) 246: angle ( -4.819, -4.069, -3.260) ( -4.816, -4.067, -3.259) ( 0.05, 0.04, 0.03) 246: torsion ( 1.374, -1.374, -1.038) ( 1.374, -1.374, -1.038) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.903, 1.531, -0.692) ( 0.903, 1.531, -0.692) ( 0.01, 0.00, 0.00) 246: electro ( -0.471, -0.467, -1.234) ( -0.471, -0.467, -1.234) ( 0.00, 0.00, 0.00) 246: 59 ( -1.672, -1.065, -14.649) ( -1.669, -1.057, -14.640) ( 0.19, 0.73, 0.06) 246: bond ( 1.255, 11.287, -12.325) ( 1.255, 11.294, -12.318) ( 0.01, 0.06, 0.06) 246: angle ( -0.945, 0.841, 0.675) ( -0.942, 0.842, 0.676) ( 0.24, 0.09, 0.06) 246: torsion ( 2.095, -1.868, -1.500) ( 2.095, -1.868, -1.500) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.139, -11.853, -2.429) ( -4.138, -11.853, -2.428) ( 0.01, 0.00, 0.00) 246: electro ( 0.062, 0.529, 0.929) ( 0.062, 0.529, 0.929) ( 0.00, 0.00, 0.00) 246: 60 ( 4.180, 0.851, 15.801) ( 4.183, 0.856, 15.812) ( 0.08, 0.44, 0.07) 246: bond ( 1.295, 8.702, 15.115) ( 1.295, 8.705, 15.125) ( 0.01, 0.04, 0.07) 246: angle ( 15.182, -5.824, 2.050) ( 15.184, -5.823, 2.051) ( 0.02, 0.03, 0.02) 246: torsion ( -1.577, 2.708, -1.424) ( -1.577, 2.708, -1.424) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-10.178, -4.507, -0.246) (-10.177, -4.507, -0.246) ( 0.01, 0.00, 0.00) 246: electro ( -0.543, -0.228, 0.305) ( -0.543, -0.228, 0.305) ( 0.00, 0.00, 0.00) 246: 61 ( -3.607, -11.430, -21.611) ( -3.604, -11.416, -21.608) ( 0.08, 0.11, 0.02) 246: bond ( 0.549, -8.292, 2.402) ( 0.549, -8.280, 2.403) ( 0.01, 0.16, 0.05) 246: angle ( -2.924, -5.064, -16.780) ( -2.921, -5.064, -16.778) ( 0.08, 0.00, 0.01) 246: torsion ( -0.304, -2.407, -8.223) ( -0.304, -2.407, -8.223) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.536, 3.527, 1.222) ( -1.536, 3.527, 1.222) ( 0.02, 0.00, 0.00) 246: electro ( 0.607, 0.806, -0.231) ( 0.607, 0.806, -0.231) ( 0.00, 0.00, 0.00) 246: 62 (-13.552, 3.271, -1.933) (-13.548, 3.282, -1.929) ( 0.02, 0.35, 0.23) 246: bond ( -3.163, 10.307, -4.939) ( -3.162, 10.318, -4.937) ( 0.03, 0.10, 0.05) 246: angle ( -7.456, 1.314, 7.520) ( -7.454, 1.314, 7.522) ( 0.03, 0.04, 0.03) 246: torsion ( -2.471, -0.439, 0.665) ( -2.471, -0.439, 0.665) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.193, -8.816, -5.036) ( -1.193, -8.816, -5.036) ( 0.01, 0.00, 0.00) 246: electro ( 0.732, 0.904, -0.144) ( 0.732, 0.904, -0.144) ( 0.00, 0.00, 0.00) 246: 63 ( -1.642, 0.072, 7.768) ( -1.638, 0.075, 7.781) ( 0.26, 0.02, 0.16) 246: bond ( 3.501, 1.811, 9.381) ( 3.502, 1.811, 9.393) ( 0.05, 0.03, 0.13) 246: angle (-11.516, 2.354, 3.839) (-11.514, 2.356, 3.839) ( 0.02, 0.09, 0.01) 246: torsion ( 1.522, 1.177, -0.795) ( 1.522, 1.177, -0.795) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.241, -6.128, -4.764) ( 3.241, -6.128, -4.764) ( 0.01, 0.00, 0.00) 246: electro ( 1.610, 0.859, 0.107) ( 1.610, 0.859, 0.107) ( 0.00, 0.00, 0.00) 246: 64 ( 3.493, 9.960, 4.207) ( -nan, -nan, -nan) ( nan, nan, nan) 246: bond ( 0.723, 7.398, -1.973) ( 0.723, 7.412, -1.972) ( 0.01, 0.19, 0.05) 246: angle ( -0.023, 0.127, 0.468) ( -0.023, 0.127, 0.470) ( 0.00, 0.00, 0.09) 246: torsion ( 1.495, -0.118, 0.105) ( 1.495, -0.118, 0.105) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( -nan, -nan, -nan) ( nan, nan, nan) 246: electro ( 1.298, 2.553, 5.608) ( 1.298, 2.553, 5.608) ( 0.00, 0.00, 0.00) 246: 65 (-32.705, 0.634, 27.276) ( -nan, -nan, -nan) ( nan, nan, nan) 246: bond (-43.371, -7.007, 0.973) (-43.356, -7.006, 0.974) ( 0.03, 0.01, 0.02) 246: angle ( 0.668, -1.382, 19.777) ( 0.668, -1.382, 19.779) ( 0.00, 0.00, 0.01) 246: torsion ( -0.829, 5.186, 0.390) ( -0.829, 5.186, 0.390) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( -nan, -nan, -nan) ( nan, nan, nan) 246: electro ( 10.828, 3.837, 6.135) ( 10.828, 3.837, 6.135) ( 0.00, 0.00, 0.00) 246: ok 14 # gradients 246: ok 15 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (-26.341, 179.695, 84.974) (-26.307, 179.722, 84.987) ( 0.13, 0.02, 0.02) 246: bond (-80.184, 67.240, 27.668) (-80.158, 67.259, 27.676) ( 0.03, 0.03, 0.03) 246: angle ( 50.759, 104.743, 70.672) ( 50.767, 104.749, 70.675) ( 0.02, 0.01, 0.00) 246: torsion ( 2.429, 7.968, -13.505) ( 2.429, 7.969, -13.502) ( 0.00, 0.01, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.643, -0.252, 0.142) ( 0.643, -0.252, 0.142) ( 0.00, 0.00, 0.00) 246: electro ( 0.012, -0.003, -0.004) ( 0.012, -0.003, -0.004) ( 0.00, 0.00, 0.00) 246: 2 (-221.600, -93.476, -82.982) (-221.567, -93.449, -82.969) ( 0.02, 0.03, 0.02) 246: bond (-162.222, -46.795, -64.231) (-162.197, -46.775, -64.224) ( 0.02, 0.04, 0.01) 246: angle (-55.886, -36.407, -31.703) (-55.878, -36.401, -31.700) ( 0.01, 0.02, 0.01) 246: torsion ( -3.084, -8.383, 14.257) ( -3.084, -8.381, 14.262) ( 0.01, 0.02, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.426, -1.691, -1.215) ( -0.426, -1.691, -1.215) ( 0.00, 0.00, 0.00) 246: electro ( 0.018, -0.201, -0.091) ( 0.018, -0.201, -0.091) ( 0.00, 0.00, 0.00) 246: 3 (733.756, -926.168, -450.739) (733.785, -926.141, -450.725) ( 0.00, 0.00, 0.00) 246: bond (715.451, -934.338, -440.862) (715.477, -934.316, -440.850) ( 0.00, 0.00, 0.00) 246: angle ( 16.605, -5.824, 12.516) ( 16.607, -5.819, 12.517) ( 0.02, 0.08, 0.01) 246: torsion ( 4.699, 13.992, -22.724) ( 4.699, 13.993, -22.722) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.952, 0.158, 0.563) ( -2.951, 0.158, 0.563) ( 0.00, 0.00, 0.00) 246: electro ( -0.047, -0.157, -0.233) ( -0.047, -0.157, -0.233) ( 0.00, 0.00, 0.00) 246: 4 (-544.374, 1014.483, 533.741) (-544.344, 1014.503, 533.751) ( 0.01, 0.00, 0.00) 246: bond (-540.835, 1016.531, 533.608) (-540.805, 1016.551, 533.618) ( 0.01, 0.00, 0.00) 246: angle ( -0.021, -0.029, -0.009) ( -0.021, -0.029, -0.009) ( 0.00, 0.00, 0.00) 246: torsion ( -1.023, -3.191, 1.716) ( -1.023, -3.190, 1.716) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.669, 1.628, -1.464) ( -1.669, 1.628, -1.463) ( 0.00, 0.01, 0.00) 246: electro ( -0.826, -0.456, -0.110) ( -0.826, -0.456, -0.110) ( 0.00, 0.00, 0.00) 246: 5 (-93.744, -300.514, -176.809) (-93.716, -300.491, -176.798) ( 0.03, 0.01, 0.01) 246: bond ( 6.436, -205.333, -129.111) ( 6.461, -205.313, -129.103) ( 0.38, 0.01, 0.01) 246: angle (-90.395, -87.897, -67.119) (-90.392, -87.894, -67.117) ( 0.00, 0.00, 0.00) 246: torsion ( -3.711, -12.855, 20.305) ( -3.711, -12.855, 20.306) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.999, 3.743, -2.154) ( -4.999, 3.743, -2.154) ( 0.00, 0.00, 0.00) 246: electro ( -1.075, 1.829, 1.270) ( -1.075, 1.828, 1.270) ( 0.00, 0.00, 0.00) 246: 6 (488.052, -1161.301, 137.157) (488.083, -1161.275, 137.161) ( 0.01, 0.00, 0.00) 246: bond (484.183, -1164.859, 131.653) (484.214, -1164.833, 131.657) ( 0.01, 0.00, 0.00) 246: angle ( 0.022, 0.028, 0.008) ( 0.022, 0.028, 0.008) ( 0.00, 0.00, 0.00) 246: torsion ( 1.048, 3.836, 6.817) ( 1.048, 3.836, 6.818) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.975, -0.747, -1.547) ( 1.975, -0.747, -1.547) ( 0.00, 0.01, 0.00) 246: electro ( 0.824, 0.441, 0.225) ( 0.824, 0.441, 0.225) ( 0.00, 0.00, 0.00) 246: 7 (120.329, 342.533, -45.999) (120.358, 342.564, -45.996) ( 0.02, 0.01, 0.01) 246: bond ( 8.785, 239.921, -25.604) ( 8.810, 239.948, -25.604) ( 0.29, 0.01, 0.00) 246: angle (105.569, 108.819, -18.888) (105.572, 108.823, -18.887) ( 0.00, 0.00, 0.00) 246: torsion ( -0.854, -1.117, 0.334) ( -0.854, -1.116, 0.336) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.877, -2.849, -2.436) ( 5.877, -2.848, -2.436) ( 0.00, 0.00, 0.00) 246: electro ( 0.952, -2.242, 0.595) ( 0.952, -2.242, 0.595) ( 0.00, 0.00, 0.00) 246: 8 ( 9.605, -199.227, 26.960) ( 9.640, -199.192, 26.965) ( 0.37, 0.02, 0.02) 246: bond ( 76.676, -75.909, 3.494) ( 76.703, -75.882, 3.494) ( 0.04, 0.04, 0.00) 246: angle (-66.537, -124.364, 14.394) (-66.528, -124.356, 14.394) ( 0.01, 0.01, 0.00) 246: torsion ( 0.153, 0.851, 8.951) ( 0.153, 0.851, 8.955) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.677, 0.189, 0.125) ( -0.677, 0.189, 0.125) ( 0.00, 0.00, 0.00) 246: electro ( -0.011, 0.005, -0.004) ( -0.011, 0.005, -0.004) ( 0.00, 0.00, 0.00) 246: 9 (234.083, 110.808, -5.687) (234.117, 110.843, -5.681) ( 0.01, 0.03, 0.09) 246: bond (168.822, 63.419, -12.849) (168.848, 63.446, -12.850) ( 0.02, 0.04, 0.00) 246: angle ( 64.031, 43.820, -7.539) ( 64.039, 43.829, -7.540) ( 0.01, 0.02, 0.00) 246: torsion ( 0.607, 1.401, 15.070) ( 0.607, 1.401, 15.076) ( 0.00, 0.00, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.642, 1.953, -0.380) ( 0.642, 1.953, -0.380) ( 0.00, 0.00, 0.00) 246: electro ( -0.018, 0.214, 0.012) ( -0.018, 0.214, 0.012) ( 0.00, 0.00, 0.00) 246: 10 (-703.642, 1063.270, -121.206) (-703.612, 1063.304, -121.199) ( 0.00, 0.00, 0.01) 246: bond (-668.979, 1057.194, -118.164) (-668.952, 1057.223, -118.160) ( 0.00, 0.00, 0.00) 246: angle (-36.514, 9.643, 24.582) (-36.512, 9.649, 24.582) ( 0.01, 0.06, 0.00) 246: torsion ( -0.835, -3.339, -28.417) ( -0.835, -3.339, -28.415) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.621, -0.462, 0.922) ( 2.621, -0.462, 0.922) ( 0.00, 0.00, 0.00) 246: electro ( 0.065, 0.232, -0.128) ( 0.065, 0.232, -0.128) ( 0.00, 0.00, 0.00) 246: 11 (-92.037, -219.425, 15.503) (-92.011, -219.395, 15.528) ( 0.03, 0.01, 0.16) 246: bond (-44.807, -79.240, 7.516) (-44.789, -79.219, 7.535) ( 0.04, 0.03, 0.25) 246: angle (-49.035, -135.591, 4.959) (-49.028, -135.582, 4.965) ( 0.02, 0.01, 0.11) 246: torsion ( 0.089, 0.165, 2.005) ( 0.089, 0.165, 2.006) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.297, -4.237, 1.078) ( 1.297, -4.237, 1.078) ( 0.01, 0.00, 0.00) 246: electro ( 0.420, -0.522, -0.056) ( 0.420, -0.522, -0.056) ( 0.00, 0.00, 0.00) 246: 12 ( -8.510, 24.281, -8.300) ( -8.498, 24.288, -8.299) ( 0.14, 0.03, 0.01) 246: bond ( 3.190, 1.811, -0.170) ( 3.201, 1.815, -0.170) ( 0.35, 0.20, 0.00) 246: angle (-13.096, 23.042, -0.548) (-13.096, 23.044, -0.548) ( 0.01, 0.01, 0.01) 246: torsion ( -0.096, -0.535, -7.539) ( -0.096, -0.535, -7.538) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.157, 0.114, 0.005) ( -0.157, 0.114, 0.005) ( 0.00, 0.00, 0.00) 246: electro ( 1.650, -0.151, -0.048) ( 1.650, -0.151, -0.048) ( 0.00, 0.00, 0.00) 246: 13 (-29.862, -44.197, 2.041) (-29.853, -44.188, 2.043) ( 0.03, 0.02, 0.08) 246: bond ( 5.580, -5.166, 0.418) ( 5.588, -5.160, 0.418) ( 0.14, 0.13, 0.00) 246: angle (-36.346, -38.897, 5.727) (-36.345, -38.895, 5.727) ( 0.00, 0.01, 0.00) 246: torsion ( -0.092, -0.424, -4.005) ( -0.092, -0.424, -4.003) ( 0.00, 0.00, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.083, 0.130, -0.072) ( 1.083, 0.130, -0.072) ( 0.00, 0.00, 0.00) 246: electro ( -0.087, 0.160, -0.027) ( -0.087, 0.160, -0.027) ( 0.00, 0.00, 0.00) 246: 14 ( 94.864, 200.588, 114.433) ( 94.890, 200.617, 114.459) ( 0.03, 0.01, 0.02) 246: bond ( 41.007, 67.471, 46.997) ( 41.024, 67.492, 47.016) ( 0.04, 0.03, 0.04) 246: angle ( 56.551, 129.171, 64.070) ( 56.559, 129.179, 64.077) ( 0.01, 0.01, 0.01) 246: torsion ( -0.117, -0.306, 0.514) ( -0.117, -0.306, 0.514) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.106, 3.726, 2.744) ( -2.106, 3.726, 2.744) ( 0.00, 0.00, 0.00) 246: electro ( -0.472, 0.526, 0.108) ( -0.472, 0.526, 0.108) ( 0.00, 0.00, 0.00) 246: 15 ( 11.332, -23.890, -12.754) ( 11.343, -23.885, -12.750) ( 0.10, 0.02, 0.03) 246: bond ( -2.993, -1.390, -1.422) ( -2.983, -1.388, -1.420) ( 0.34, 0.16, 0.16) 246: angle ( 15.978, -21.946, -12.114) ( 15.979, -21.944, -12.114) ( 0.01, 0.01, 0.00) 246: torsion ( -0.194, -0.653, 1.044) ( -0.194, -0.652, 1.045) ( 0.00, 0.02, 0.09) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.155, -0.116, -0.022) ( 0.155, -0.116, -0.022) ( 0.00, 0.00, 0.00) 246: electro ( -1.614, 0.215, -0.241) ( -1.614, 0.215, -0.241) ( 0.00, 0.00, 0.00) 246: 16 ( 26.763, 36.848, 27.200) ( 26.773, 36.856, 27.202) ( 0.04, 0.02, 0.01) 246: bond ( -5.931, 4.794, 1.716) ( -5.922, 4.800, 1.717) ( 0.14, 0.11, 0.04) 246: angle ( 33.396, 31.558, 26.977) ( 33.398, 31.559, 26.977) ( 0.00, 0.00, 0.00) 246: torsion ( 0.258, 0.709, -1.097) ( 0.258, 0.710, -1.095) ( 0.00, 0.03, 0.11) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.068, -0.086, -0.304) ( -1.068, -0.086, -0.304) ( 0.00, 0.00, 0.00) 246: electro ( 0.107, -0.127, -0.093) ( 0.107, -0.127, -0.093) ( 0.00, 0.00, 0.00) 246: 17 ( 39.771, 101.216, 64.066) ( 39.773, 101.229, 64.071) ( 0.01, 0.01, 0.01) 246: bond (-11.976, 98.669, 56.715) (-11.975, 98.681, 56.720) ( 0.01, 0.01, 0.01) 246: angle ( 48.261, 1.230, 8.049) ( 48.263, 1.230, 8.049) ( 0.00, 0.00, 0.00) 246: torsion ( 0.146, 0.573, -0.966) ( 0.146, 0.573, -0.965) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.339, 0.040, 0.283) ( 0.339, 0.040, 0.283) ( 0.00, 0.00, 0.00) 246: electro ( 3.000, 0.705, -0.016) ( 3.000, 0.705, -0.016) ( 0.00, 0.00, 0.00) 246: 18 (-53.140, -113.275, 31.092) (-53.138, -113.259, 31.093) ( 0.00, 0.01, 0.00) 246: bond ( 4.991, -112.248, 19.822) ( 4.991, -112.231, 19.823) ( 0.01, 0.01, 0.01) 246: angle (-55.366, -1.628, 4.725) (-55.364, -1.628, 4.725) ( 0.00, 0.00, 0.00) 246: torsion ( 0.578, 1.299, 7.208) ( 0.578, 1.299, 7.209) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.375, -0.137, 0.175) ( -0.375, -0.137, 0.175) ( 0.00, 0.00, 0.00) 246: electro ( -2.967, -0.562, -0.839) ( -2.967, -0.562, -0.839) ( 0.00, 0.00, 0.00) 246: 19 (-37.239, -77.614, -48.643) (-37.232, -77.608, -48.638) ( 0.02, 0.01, 0.01) 246: bond ( 30.052, -29.778, -24.026) ( 30.058, -29.773, -24.023) ( 0.02, 0.02, 0.02) 246: angle (-68.561, -48.606, -25.545) (-68.559, -48.605, -25.544) ( 0.00, 0.00, 0.00) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.009, 1.029, 1.006) ( 1.009, 1.029, 1.006) ( 0.00, 0.00, 0.00) 246: electro ( 0.260, -0.259, -0.078) ( 0.260, -0.259, -0.078) ( 0.00, 0.00, 0.00) 246: 20 (-37.541, -23.181, -49.158) (-37.534, -23.177, -49.150) ( 0.02, 0.02, 0.02) 246: bond (-33.425, 15.800, -36.942) (-33.419, 15.801, -36.934) ( 0.02, 0.01, 0.02) 246: angle ( -4.258, -39.416, -13.011) ( -4.257, -39.414, -13.010) ( 0.02, 0.01, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.023, 0.938, 1.148) ( -0.023, 0.938, 1.148) ( 0.00, 0.00, 0.00) 246: electro ( 0.165, -0.503, -0.353) ( 0.165, -0.503, -0.353) ( 0.00, 0.00, 0.00) 246: 21 (-29.750, -59.500, -4.073) (-29.744, -59.493, -4.066) ( 0.02, 0.01, 0.16) 246: bond (-27.296, -32.763, 28.653) (-27.292, -32.757, 28.657) ( 0.02, 0.02, 0.02) 246: angle ( -2.475, -26.642, -32.810) ( -2.474, -26.640, -32.808) ( 0.05, 0.00, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.103, 0.375, 0.081) ( 0.103, 0.375, 0.081) ( 0.00, 0.00, 0.00) 246: electro ( -0.081, -0.470, 0.003) ( -0.081, -0.470, 0.003) ( 0.00, 0.00, 0.00) 246: 22 ( 44.369, 65.787, -26.990) ( 44.381, 65.790, -26.986) ( 0.03, 0.00, 0.02) 246: bond ( 46.695, 0.174, -23.767) ( 46.707, 0.175, -23.764) ( 0.02, 0.00, 0.01) 246: angle ( -2.385, 67.344, -4.194) ( -2.385, 67.346, -4.193) ( 0.02, 0.00, 0.03) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.121, -2.368, 1.004) ( 0.121, -2.368, 1.004) ( 0.00, 0.00, 0.00) 246: electro ( -0.061, 0.637, -0.033) ( -0.061, 0.637, -0.033) ( 0.00, 0.00, 0.00) 246: 23 ( 33.513, 33.559, 34.875) ( 33.516, 33.564, 34.886) ( 0.01, 0.01, 0.03) 246: bond ( 9.700, 21.267, 45.550) ( 9.701, 21.270, 45.562) ( 0.01, 0.01, 0.02) 246: angle ( 24.199, 11.941, -10.729) ( 24.201, 11.943, -10.728) ( 0.01, 0.02, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.403, -0.036, -0.098) ( -0.403, -0.036, -0.098) ( 0.00, 0.00, 0.00) 246: electro ( 0.017, 0.387, 0.151) ( 0.017, 0.387, 0.151) ( 0.00, 0.00, 0.00) 246: 24 ( 40.893, 68.265, -38.893) ( 40.898, 68.273, -38.888) ( 0.01, 0.01, 0.01) 246: bond (-23.294, 33.180, -26.795) (-23.290, 33.187, -26.791) ( 0.01, 0.02, 0.02) 246: angle ( 65.430, 35.828, -12.500) ( 65.432, 35.829, -12.499) ( 0.00, 0.00, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.012, -1.043, 0.412) ( -1.012, -1.043, 0.412) ( 0.00, 0.00, 0.00) 246: electro ( -0.231, 0.300, -0.010) ( -0.231, 0.300, -0.010) ( 0.00, 0.00, 0.00) 246: ok 16 # gradients 246: ok 17 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (280.385, 79.113, -45.579) (280.423, 79.148, -45.561) ( 0.01, 0.04, 0.04) 246: bond (269.764, 65.096, -61.045) (269.793, 65.121, -61.035) ( 0.01, 0.04, 0.02) 246: angle ( -0.386, 0.172, -0.097) ( -0.379, 0.180, -0.092) ( 0.28, 0.15, 0.05) 246: torsion ( -0.078, 0.077, 0.128) ( -0.077, 0.078, 0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.087, 13.768, 15.435) ( 11.087, 13.769, 15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 2 ( -0.039, 251.973, -153.609) ( -0.000, 252.014, -153.597) ( 0.15, 0.02, 0.01) 246: bond ( -0.027, 231.339, -164.452) ( 0.000, 231.370, -164.446) ( 0.07, 0.01, 0.00) 246: angle ( -0.010, 0.062, -0.251) ( -0.000, 0.070, -0.248) ( 0.01, 0.05, 0.09) 246: torsion ( -0.001, -0.029, -0.095) ( -0.000, -0.028, -0.091) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.001, 20.601, 11.189) ( 0.000, 20.601, 11.189) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 3 ( -0.039, -252.054, -153.609) ( 0.000, -252.014, -153.597) ( 0.15, 0.02, 0.01) 246: bond ( -0.027, -231.402, -164.452) ( 0.000, -231.370, -164.446) ( 0.07, 0.01, 0.00) 246: angle ( -0.010, -0.078, -0.251) ( -0.000, -0.070, -0.248) ( 0.01, 0.06, 0.09) 246: torsion ( -0.001, 0.027, -0.095) ( 0.000, 0.028, -0.091) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.001, -20.602, 11.189) ( 0.000, -20.601, 11.189) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 4 (280.385, -79.182, -45.579) (280.423, -79.148, -45.561) ( 0.01, 0.04, 0.04) 246: bond (269.764, -65.145, -61.045) (269.793, -65.121, -61.035) ( 0.01, 0.04, 0.02) 246: angle ( -0.386, -0.189, -0.097) ( -0.379, -0.180, -0.092) ( 0.28, 0.16, 0.05) 246: torsion ( -0.078, -0.079, 0.128) ( -0.077, -0.078, 0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.087, -13.769, 15.435) ( 11.087, -13.769, 15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 5 (-127.758, 175.179, -201.805) (-127.730, 175.217, -201.780) ( 0.02, 0.02, 0.01) 246: bond (-105.528, 167.839, -204.493) (-105.508, 167.867, -204.477) ( 0.02, 0.02, 0.01) 246: angle ( -0.037, 0.417, 0.081) ( -0.030, 0.425, 0.086) ( 0.03, 0.36, 0.04) 246: torsion ( 0.072, 0.059, -0.086) ( 0.074, 0.061, -0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-22.266, 6.864, 2.694) (-22.266, 6.864, 2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 6 (-127.758, -175.256, -201.805) (-127.730, -175.217, -201.780) ( 0.02, 0.02, 0.01) 246: bond (-105.528, -167.895, -204.493) (-105.508, -167.867, -204.477) ( 0.02, 0.02, 0.01) 246: angle ( -0.037, -0.434, 0.081) ( -0.030, -0.425, 0.086) ( 0.03, 0.38, 0.04) 246: torsion ( 0.072, -0.062, -0.086) ( 0.074, -0.061, -0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-22.266, -6.865, 2.694) (-22.266, -6.864, 2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 7 (-280.461, 79.113, -45.579) (-280.423, 79.148, -45.561) ( 0.01, 0.04, 0.04) 246: bond (-269.822, 65.096, -61.045) (-269.793, 65.121, -61.035) ( 0.01, 0.04, 0.02) 246: angle ( 0.372, 0.172, -0.097) ( 0.379, 0.180, -0.092) ( 0.27, 0.15, 0.05) 246: torsion ( 0.076, 0.077, 0.128) ( 0.077, 0.078, 0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.087, 13.768, 15.435) (-11.087, 13.769, 15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 8 (-280.461, -79.182, -45.579) (-280.423, -79.148, -45.561) ( 0.01, 0.04, 0.04) 246: bond (-269.822, -65.145, -61.045) (-269.793, -65.121, -61.035) ( 0.01, 0.04, 0.02) 246: angle ( 0.372, -0.189, -0.097) ( 0.379, -0.180, -0.092) ( 0.27, 0.16, 0.05) 246: torsion ( 0.076, -0.079, 0.128) ( 0.077, -0.078, 0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.087, -13.769, 15.435) (-11.087, -13.769, 15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 9 (175.179, 201.756, 127.701) (175.217, 201.780, 127.730) ( 0.02, 0.01, 0.02) 246: bond (167.839, 204.461, 105.488) (167.867, 204.477, 105.508) ( 0.02, 0.01, 0.02) 246: angle ( 0.417, -0.092, 0.023) ( 0.425, -0.086, 0.030) ( 0.36, 0.05, 0.02) 246: torsion ( 0.059, 0.081, -0.075) ( 0.061, 0.083, -0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.864, -2.694, 22.265) ( 6.864, -2.694, 22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 10 ( 45.542, 280.385, 79.113) ( 45.561, 280.423, 79.148) ( 0.04, 0.01, 0.04) 246: bond ( 61.024, 269.764, 65.096) ( 61.035, 269.793, 65.121) ( 0.02, 0.01, 0.04) 246: angle ( 0.087, -0.386, 0.172) ( 0.092, -0.379, 0.180) ( 0.05, 0.28, 0.15) 246: torsion ( -0.134, -0.078, 0.077) ( -0.131, -0.077, 0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-15.435, 11.087, 13.768) (-15.435, 11.087, 13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 11 ( 45.542, -280.461, 79.113) ( 45.561, -280.423, 79.148) ( 0.04, 0.01, 0.04) 246: bond ( 61.024, -269.822, 65.096) ( 61.035, -269.793, 65.121) ( 0.02, 0.01, 0.04) 246: angle ( 0.087, 0.372, 0.172) ( 0.092, 0.379, 0.180) ( 0.05, 0.27, 0.15) 246: torsion ( -0.134, 0.076, 0.077) ( -0.131, 0.077, 0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-15.435, -11.087, 13.768) (-15.435, -11.087, 13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 12 (175.179, -201.805, 127.701) (175.217, -201.780, 127.730) ( 0.02, 0.01, 0.02) 246: bond (167.839, -204.493, 105.488) (167.867, -204.477, 105.508) ( 0.02, 0.01, 0.02) 246: angle ( 0.417, 0.081, 0.023) ( 0.425, 0.086, 0.030) ( 0.36, 0.04, 0.02) 246: torsion ( 0.059, -0.086, -0.075) ( 0.061, -0.083, -0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.864, 2.694, 22.265) ( 6.864, 2.694, 22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 13 (201.756, -127.758, -175.256) (201.780, -127.730, -175.217) ( 0.01, 0.02, 0.02) 246: bond (204.461, -105.528, -167.895) (204.477, -105.508, -167.867) ( 0.01, 0.02, 0.02) 246: angle ( -0.092, -0.037, -0.434) ( -0.086, -0.030, -0.425) ( 0.05, 0.03, 0.38) 246: torsion ( 0.081, 0.072, -0.062) ( 0.083, 0.074, -0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.694, -22.266, -6.865) ( -2.694, -22.266, -6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 14 (-79.182, 45.542, -280.461) (-79.148, 45.561, -280.423) ( 0.04, 0.04, 0.01) 246: bond (-65.145, 61.024, -269.822) (-65.121, 61.035, -269.793) ( 0.04, 0.02, 0.01) 246: angle ( -0.189, 0.087, 0.372) ( -0.180, 0.092, 0.379) ( 0.16, 0.05, 0.27) 246: torsion ( -0.079, -0.134, 0.076) ( -0.078, -0.131, 0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-13.769, -15.435, -11.087) (-13.769, -15.435, -11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 15 (201.756, -127.758, 175.179) (201.780, -127.730, 175.217) ( 0.01, 0.02, 0.02) 246: bond (204.461, -105.528, 167.839) (204.477, -105.508, 167.867) ( 0.01, 0.02, 0.02) 246: angle ( -0.092, -0.037, 0.417) ( -0.086, -0.030, 0.425) ( 0.05, 0.03, 0.36) 246: torsion ( 0.081, 0.072, 0.059) ( 0.083, 0.074, 0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.694, -22.266, 6.864) ( -2.694, -22.266, 6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 16 (-252.054, 153.584, -0.039) (-252.014, 153.597, -0.000) ( 0.02, 0.01, 0.15) 246: bond (-231.402, 164.441, -0.027) (-231.370, 164.446, 0.000) ( 0.01, 0.00, 0.07) 246: angle ( -0.078, 0.245, -0.010) ( -0.070, 0.248, 0.000) ( 0.06, 0.08, 0.01) 246: torsion ( 0.027, 0.087, -0.001) ( 0.028, 0.091, -0.000) ( 0.00, 0.03, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-20.602, -11.189, -0.001) (-20.601, -11.189, -0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 17 (127.701, -175.256, -201.805) (127.730, -175.217, -201.780) ( 0.02, 0.02, 0.01) 246: bond (105.488, -167.895, -204.493) (105.508, -167.867, -204.477) ( 0.02, 0.02, 0.01) 246: angle ( 0.023, -0.434, 0.081) ( 0.030, -0.425, 0.086) ( 0.02, 0.38, 0.04) 246: torsion ( -0.075, -0.062, -0.086) ( -0.074, -0.061, -0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 22.265, -6.865, 2.694) ( 22.266, -6.864, 2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 18 (-175.256, 201.756, 127.701) (-175.217, 201.780, 127.730) ( 0.02, 0.01, 0.02) 246: bond (-167.895, 204.461, 105.488) (-167.867, 204.477, 105.508) ( 0.02, 0.01, 0.02) 246: angle ( -0.434, -0.092, 0.023) ( -0.425, -0.086, 0.030) ( 0.38, 0.05, 0.02) 246: torsion ( -0.062, 0.081, -0.075) ( -0.061, 0.083, -0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.865, -2.694, 22.265) ( -6.864, -2.694, 22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 19 (-79.182, 45.542, 280.385) (-79.148, 45.561, 280.423) ( 0.04, 0.04, 0.01) 246: bond (-65.145, 61.024, 269.764) (-65.121, 61.035, 269.793) ( 0.04, 0.02, 0.01) 246: angle ( -0.189, 0.087, -0.386) ( -0.180, 0.092, -0.379) ( 0.16, 0.05, 0.28) 246: torsion ( -0.079, -0.134, -0.078) ( -0.078, -0.131, -0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-13.769, -15.435, 11.087) (-13.769, -15.435, 11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 20 ( 79.113, 45.542, -280.461) ( 79.148, 45.561, -280.423) ( 0.04, 0.04, 0.01) 246: bond ( 65.096, 61.024, -269.822) ( 65.121, 61.035, -269.793) ( 0.04, 0.02, 0.01) 246: angle ( 0.172, 0.087, 0.372) ( 0.180, 0.092, 0.379) ( 0.15, 0.05, 0.27) 246: torsion ( 0.077, -0.134, 0.076) ( 0.078, -0.131, 0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.768, -15.435, -11.087) ( 13.769, -15.435, -11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 21 (127.701, 175.179, -201.805) (127.730, 175.217, -201.780) ( 0.02, 0.02, 0.01) 246: bond (105.488, 167.839, -204.493) (105.508, 167.867, -204.477) ( 0.02, 0.02, 0.01) 246: angle ( 0.023, 0.417, 0.081) ( 0.030, 0.425, 0.086) ( 0.02, 0.36, 0.04) 246: torsion ( -0.075, 0.059, -0.086) ( -0.074, 0.061, -0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 22.265, 6.864, 2.694) ( 22.266, 6.864, 2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 22 (153.584, -0.039, 251.973) (153.597, 0.000, 252.014) ( 0.01, 0.15, 0.02) 246: bond (164.441, -0.027, 231.339) (164.446, 0.000, 231.370) ( 0.00, 0.07, 0.01) 246: angle ( 0.245, -0.010, 0.062) ( 0.248, -0.000, 0.070) ( 0.08, 0.01, 0.05) 246: torsion ( 0.087, -0.001, -0.029) ( 0.091, 0.000, -0.028) ( 0.03, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.189, -0.001, 20.601) (-11.189, 0.000, 20.601) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 23 (201.756, 127.701, -175.256) (201.780, 127.730, -175.217) ( 0.01, 0.02, 0.02) 246: bond (204.461, 105.488, -167.895) (204.477, 105.508, -167.867) ( 0.01, 0.02, 0.02) 246: angle ( -0.092, 0.023, -0.434) ( -0.086, 0.030, -0.425) ( 0.05, 0.02, 0.38) 246: torsion ( 0.081, -0.075, -0.062) ( 0.083, -0.074, -0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.694, 22.265, -6.865) ( -2.694, 22.266, -6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 24 (-45.579, -280.461, 79.113) (-45.561, -280.423, 79.148) ( 0.04, 0.01, 0.04) 246: bond (-61.045, -269.822, 65.096) (-61.035, -269.793, 65.121) ( 0.02, 0.01, 0.04) 246: angle ( -0.097, 0.372, 0.172) ( -0.092, 0.379, 0.180) ( 0.05, 0.27, 0.15) 246: torsion ( 0.128, 0.076, 0.077) ( 0.131, 0.077, 0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.435, -11.087, 13.768) ( 15.435, -11.087, 13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 25 (-79.182, -45.579, -280.461) (-79.148, -45.561, -280.423) ( 0.04, 0.04, 0.01) 246: bond (-65.145, -61.045, -269.822) (-65.121, -61.035, -269.793) ( 0.04, 0.02, 0.01) 246: angle ( -0.189, -0.097, 0.372) ( -0.180, -0.092, 0.379) ( 0.16, 0.05, 0.27) 246: torsion ( -0.079, 0.128, 0.076) ( -0.078, 0.131, 0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-13.769, 15.435, -11.087) (-13.769, 15.435, -11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 26 (-175.256, -201.805, 127.701) (-175.217, -201.780, 127.730) ( 0.02, 0.01, 0.02) 246: bond (-167.895, -204.493, 105.488) (-167.867, -204.477, 105.508) ( 0.02, 0.01, 0.02) 246: angle ( -0.434, 0.081, 0.023) ( -0.425, 0.086, 0.030) ( 0.38, 0.04, 0.02) 246: torsion ( -0.062, -0.086, -0.075) ( -0.061, -0.083, -0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.865, 2.694, 22.265) ( -6.864, 2.694, 22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 27 (201.756, 127.701, 175.179) (201.780, 127.730, 175.217) ( 0.01, 0.02, 0.02) 246: bond (204.461, 105.488, 167.839) (204.477, 105.508, 167.867) ( 0.01, 0.02, 0.02) 246: angle ( -0.092, 0.023, 0.417) ( -0.086, 0.030, 0.425) ( 0.05, 0.02, 0.36) 246: torsion ( 0.081, -0.075, 0.059) ( 0.083, -0.074, 0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.694, 22.265, 6.864) ( -2.694, 22.266, 6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 28 (-252.054, -153.609, -0.039) (-252.014, -153.597, 0.000) ( 0.02, 0.01, 0.15) 246: bond (-231.402, -164.452, -0.027) (-231.370, -164.446, 0.000) ( 0.01, 0.00, 0.07) 246: angle ( -0.078, -0.251, -0.010) ( -0.070, -0.248, 0.000) ( 0.06, 0.09, 0.01) 246: torsion ( 0.027, -0.095, -0.001) ( 0.028, -0.091, 0.000) ( 0.00, 0.03, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-20.602, 11.189, -0.001) (-20.601, 11.189, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 29 ( 79.113, -45.579, -280.461) ( 79.148, -45.561, -280.423) ( 0.04, 0.04, 0.01) 246: bond ( 65.096, -61.045, -269.822) ( 65.121, -61.035, -269.793) ( 0.04, 0.02, 0.01) 246: angle ( 0.172, -0.097, 0.372) ( 0.180, -0.092, 0.379) ( 0.15, 0.05, 0.27) 246: torsion ( 0.077, 0.128, 0.076) ( 0.078, 0.131, 0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.768, 15.435, -11.087) ( 13.769, 15.435, -11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 30 (251.973, 153.584, -0.039) (252.014, 153.597, 0.000) ( 0.02, 0.01, 0.15) 246: bond (231.339, 164.441, -0.027) (231.370, 164.446, 0.000) ( 0.01, 0.00, 0.07) 246: angle ( 0.062, 0.245, -0.010) ( 0.070, 0.248, 0.000) ( 0.05, 0.08, 0.01) 246: torsion ( -0.029, 0.087, -0.001) ( -0.028, 0.091, 0.000) ( 0.00, 0.03, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 20.601, -11.189, -0.001) ( 20.601, -11.189, -0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 31 (153.584, -0.039, -252.054) (153.597, -0.000, -252.014) ( 0.01, 0.15, 0.02) 246: bond (164.441, -0.027, -231.402) (164.446, 0.000, -231.370) ( 0.00, 0.07, 0.01) 246: angle ( 0.245, -0.010, -0.078) ( 0.248, 0.000, -0.070) ( 0.08, 0.01, 0.06) 246: torsion ( 0.087, -0.001, 0.027) ( 0.091, -0.000, 0.028) ( 0.03, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.189, -0.001, -20.602) (-11.189, -0.000, -20.601) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 32 (-45.579, 280.385, 79.113) (-45.561, 280.423, 79.148) ( 0.04, 0.01, 0.04) 246: bond (-61.045, 269.764, 65.096) (-61.035, 269.793, 65.121) ( 0.02, 0.01, 0.04) 246: angle ( -0.097, -0.386, 0.172) ( -0.092, -0.379, 0.180) ( 0.05, 0.28, 0.15) 246: torsion ( 0.128, -0.078, 0.077) ( 0.131, -0.077, 0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.435, 11.087, 13.768) ( 15.435, 11.087, 13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 33 (-79.182, -45.579, 280.385) (-79.148, -45.561, 280.423) ( 0.04, 0.04, 0.01) 246: bond (-65.145, -61.045, 269.764) (-65.121, -61.035, 269.793) ( 0.04, 0.02, 0.01) 246: angle ( -0.189, -0.097, -0.386) ( -0.180, -0.092, -0.379) ( 0.16, 0.05, 0.28) 246: torsion ( -0.079, 0.128, -0.078) ( -0.078, 0.131, -0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-13.769, 15.435, 11.087) (-13.769, 15.435, 11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 34 (251.973, -153.609, -0.039) (252.014, -153.597, -0.000) ( 0.02, 0.01, 0.15) 246: bond (231.339, -164.452, -0.027) (231.370, -164.446, 0.000) ( 0.01, 0.00, 0.07) 246: angle ( 0.062, -0.251, -0.010) ( 0.070, -0.248, 0.000) ( 0.05, 0.09, 0.01) 246: torsion ( -0.029, -0.095, -0.001) ( -0.028, -0.091, -0.000) ( 0.00, 0.03, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 20.601, 11.189, -0.001) ( 20.601, 11.189, -0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 35 (-201.805, 127.701, -175.256) (-201.780, 127.730, -175.217) ( 0.01, 0.02, 0.02) 246: bond (-204.493, 105.488, -167.895) (-204.477, 105.508, -167.867) ( 0.01, 0.02, 0.02) 246: angle ( 0.081, 0.023, -0.434) ( 0.086, 0.030, -0.425) ( 0.04, 0.02, 0.38) 246: torsion ( -0.086, -0.075, -0.062) ( -0.083, -0.074, -0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.694, 22.265, -6.865) ( 2.694, 22.266, -6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 36 (-201.805, 127.701, 175.179) (-201.780, 127.730, 175.217) ( 0.01, 0.02, 0.02) 246: bond (-204.493, 105.488, 167.839) (-204.477, 105.508, 167.867) ( 0.01, 0.02, 0.02) 246: angle ( 0.081, 0.023, 0.417) ( 0.086, 0.030, 0.425) ( 0.04, 0.02, 0.36) 246: torsion ( -0.086, -0.075, 0.059) ( -0.083, -0.074, 0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.694, 22.265, 6.864) ( 2.694, 22.266, 6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 37 (-153.609, -0.039, 251.973) (-153.597, -0.000, 252.014) ( 0.01, 0.15, 0.02) 246: bond (-164.452, -0.027, 231.339) (-164.446, 0.000, 231.370) ( 0.00, 0.07, 0.01) 246: angle ( -0.251, -0.010, 0.062) ( -0.248, 0.000, 0.070) ( 0.09, 0.01, 0.05) 246: torsion ( -0.095, -0.001, -0.029) ( -0.091, -0.000, -0.028) ( 0.03, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.189, -0.001, 20.601) ( 11.189, -0.000, 20.601) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 38 (-201.805, -127.758, -175.256) (-201.780, -127.730, -175.217) ( 0.01, 0.02, 0.02) 246: bond (-204.493, -105.528, -167.895) (-204.477, -105.508, -167.867) ( 0.01, 0.02, 0.02) 246: angle ( 0.081, -0.037, -0.434) ( 0.086, -0.030, -0.425) ( 0.04, 0.03, 0.38) 246: torsion ( -0.086, 0.072, -0.062) ( -0.083, 0.074, -0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.694, -22.266, -6.865) ( 2.694, -22.266, -6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 39 (-201.805, -127.758, 175.179) (-201.780, -127.730, 175.217) ( 0.01, 0.02, 0.02) 246: bond (-204.493, -105.528, 167.839) (-204.477, -105.508, 167.867) ( 0.01, 0.02, 0.02) 246: angle ( 0.081, -0.037, 0.417) ( 0.086, -0.030, 0.425) ( 0.04, 0.03, 0.36) 246: torsion ( -0.086, 0.072, 0.059) ( -0.083, 0.074, 0.061) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.694, -22.266, 6.864) ( 2.694, -22.266, 6.864) ( 0.01, 0.00, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 40 ( 79.113, -45.579, 280.385) ( 79.148, -45.561, 280.423) ( 0.04, 0.04, 0.01) 246: bond ( 65.096, -61.045, 269.764) ( 65.121, -61.035, 269.793) ( 0.04, 0.02, 0.01) 246: angle ( 0.172, -0.097, -0.386) ( 0.180, -0.092, -0.379) ( 0.15, 0.05, 0.28) 246: torsion ( 0.077, 0.128, -0.078) ( 0.078, 0.131, -0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.768, 15.435, 11.087) ( 13.769, 15.435, 11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 41 (-175.256, -201.805, -127.758) (-175.217, -201.780, -127.730) ( 0.02, 0.01, 0.02) 246: bond (-167.895, -204.493, -105.528) (-167.867, -204.477, -105.508) ( 0.02, 0.01, 0.02) 246: angle ( -0.434, 0.081, -0.037) ( -0.425, 0.086, -0.030) ( 0.38, 0.04, 0.03) 246: torsion ( -0.062, -0.086, 0.072) ( -0.061, -0.083, 0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.865, 2.694, -22.266) ( -6.864, 2.694, -22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 42 (-280.461, 79.113, 45.542) (-280.423, 79.148, 45.561) ( 0.01, 0.04, 0.04) 246: bond (-269.822, 65.096, 61.024) (-269.793, 65.121, 61.035) ( 0.01, 0.04, 0.02) 246: angle ( 0.372, 0.172, 0.087) ( 0.379, 0.180, 0.092) ( 0.27, 0.15, 0.05) 246: torsion ( 0.076, 0.077, -0.134) ( 0.077, 0.078, -0.131) ( 0.01, 0.01, 0.04) 241: ok 999 # number of heavy atoms match 241: ok 1000 # number of heavy atoms match 241: ok 1001 # number of heavy atoms match 241: ok 1002 # number of heavy atoms match 241: ok 1003 # number of heavy atoms match 241: ok 1004 # number of heavy atoms match 241: ok 1005 # number of heavy atoms match 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.087, 13.768, -15.435) (-11.087, 13.769, -15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 43 (175.179, -201.805, -127.758) (175.217, -201.780, -127.730) ( 0.02, 0.01, 0.02) 246: bond (167.839, -204.493, -105.528) (167.867, -204.477, -105.508) ( 0.02, 0.01, 0.02) 246: angle ( 0.417, 0.081, -0.037) ( 0.425, 0.086, -0.030) ( 0.36, 0.04, 0.03) 246: torsion ( 0.059, -0.086, 0.072) ( 0.061, -0.083, 0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.864, 2.694, -22.266) ( 6.864, 2.694, -22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 44 ( 45.542, 280.385, -79.182) ( 45.561, 280.423, -79.148) ( 0.04, 0.01, 0.04) 246: bond ( 61.024, 269.764, -65.145) ( 61.035, 269.793, -65.121) ( 0.02, 0.01, 0.04) 246: angle ( 0.087, -0.386, -0.189) ( 0.092, -0.379, -0.180) ( 0.05, 0.28, 0.16) 246: torsion ( -0.134, -0.078, -0.079) ( -0.131, -0.077, -0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-15.435, 11.087, -13.769) (-15.435, 11.087, -13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 45 (-45.579, 280.385, -79.182) (-45.561, 280.423, -79.148) ( 0.04, 0.01, 0.04) 246: bond (-61.045, 269.764, -65.145) (-61.035, 269.793, -65.121) ( 0.02, 0.01, 0.04) 246: angle ( -0.097, -0.386, -0.189) ( -0.092, -0.379, -0.180) ( 0.05, 0.28, 0.16) 246: torsion ( 0.128, -0.078, -0.079) ( 0.131, -0.077, -0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.435, 11.087, -13.769) ( 15.435, 11.087, -13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 46 ( 45.542, -280.461, -79.182) ( 45.561, -280.423, -79.148) ( 0.04, 0.01, 0.04) 246: bond ( 61.024, -269.822, -65.145) ( 61.035, -269.793, -65.121) ( 0.02, 0.01, 0.04) 246: angle ( 0.087, 0.372, -0.189) ( 0.092, 0.379, -0.180) ( 0.05, 0.27, 0.16) 246: torsion ( -0.134, 0.076, -0.079) ( -0.131, 0.077, -0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-15.435, -11.087, -13.769) (-15.435, -11.087, -13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 47 (-127.758, -175.256, 201.756) (-127.730, -175.217, 201.780) ( 0.02, 0.02, 0.01) 246: bond (-105.528, -167.895, 204.461) (-105.508, -167.867, 204.477) ( 0.02, 0.02, 0.01) 246: angle ( -0.037, -0.434, -0.092) ( -0.030, -0.425, -0.086) ( 0.03, 0.38, 0.05) 246: torsion ( 0.072, -0.062, 0.081) ( 0.074, -0.061, 0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-22.266, -6.865, -2.694) (-22.266, -6.864, -2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 48 (-153.609, -0.039, -252.054) (-153.597, 0.000, -252.014) ( 0.01, 0.15, 0.02) 246: bond (-164.452, -0.027, -231.402) (-164.446, 0.000, -231.370) ( 0.00, 0.07, 0.01) 246: angle ( -0.251, -0.010, -0.078) ( -0.248, 0.000, -0.070) ( 0.09, 0.01, 0.06) 246: torsion ( -0.095, -0.001, 0.027) ( -0.091, 0.000, 0.028) ( 0.03, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.189, -0.001, -20.602) ( 11.189, 0.000, -20.601) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 49 ( 79.113, 45.542, 280.385) ( 79.148, 45.561, 280.423) ( 0.04, 0.04, 0.01) 246: bond ( 65.096, 61.024, 269.764) ( 65.121, 61.035, 269.793) ( 0.04, 0.02, 0.01) 246: angle ( 0.172, 0.087, -0.386) ( 0.180, 0.092, -0.379) ( 0.15, 0.05, 0.28) 246: torsion ( 0.077, -0.134, -0.078) ( 0.078, -0.131, -0.077) ( 0.01, 0.04, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.768, -15.435, 11.087) ( 13.769, -15.435, 11.087) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 50 (-175.256, 201.756, -127.758) (-175.217, 201.780, -127.730) ( 0.02, 0.01, 0.02) 246: bond (-167.895, 204.461, -105.528) (-167.867, 204.477, -105.508) ( 0.02, 0.01, 0.02) 246: angle ( -0.434, -0.092, -0.037) ( -0.425, -0.086, -0.030) ( 0.38, 0.05, 0.03) 246: torsion ( -0.062, 0.081, 0.072) ( -0.061, 0.083, 0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.865, -2.694, -22.266) ( -6.864, -2.694, -22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 51 (-45.579, -280.461, -79.182) (-45.561, -280.423, -79.148) ( 0.04, 0.01, 0.04) 246: bond (-61.045, -269.822, -65.145) (-61.035, -269.793, -65.121) ( 0.02, 0.01, 0.04) 246: angle ( -0.097, 0.372, -0.189) ( -0.092, 0.379, -0.180) ( 0.05, 0.27, 0.16) 246: torsion ( 0.128, 0.076, -0.079) ( 0.131, 0.077, -0.078) ( 0.04, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.435, -11.087, -13.769) ( 15.435, -11.087, -13.769) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 52 (127.701, -175.256, 201.756) (127.730, -175.217, 201.780) ( 0.02, 0.02, 0.01) 246: bond (105.488, -167.895, 204.461) (105.508, -167.867, 204.477) ( 0.02, 0.02, 0.01) 246: angle ( 0.023, -0.434, -0.092) ( 0.030, -0.425, -0.086) ( 0.02, 0.38, 0.05) 246: torsion ( -0.075, -0.062, 0.081) ( -0.074, -0.061, 0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 22.265, -6.865, -2.694) ( 22.266, -6.864, -2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 53 (280.385, 79.113, 45.542) (280.423, 79.148, 45.561) ( 0.01, 0.04, 0.04) 246: bond (269.764, 65.096, 61.024) (269.793, 65.121, 61.035) ( 0.01, 0.04, 0.02) 246: angle ( -0.386, 0.172, 0.087) ( -0.379, 0.180, 0.092) ( 0.28, 0.15, 0.05) 246: torsion ( -0.078, 0.077, -0.134) ( -0.077, 0.078, -0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.087, 13.768, -15.435) ( 11.087, 13.769, -15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 54 ( -0.039, 251.973, 153.584) ( 0.000, 252.014, 153.597) ( 0.15, 0.02, 0.01) 246: bond ( -0.027, 231.339, 164.441) ( 0.000, 231.370, 164.446) ( 0.07, 0.01, 0.00) 246: angle ( -0.010, 0.062, 0.245) ( 0.000, 0.070, 0.248) ( 0.01, 0.05, 0.08) 246: torsion ( -0.001, -0.029, 0.087) ( 0.000, -0.028, 0.091) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.001, 20.601, -11.189) ( 0.000, 20.601, -11.189) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 55 (127.701, 175.179, 201.756) (127.730, 175.217, 201.780) ( 0.02, 0.02, 0.01) 246: bond (105.488, 167.839, 204.461) (105.508, 167.867, 204.477) ( 0.02, 0.02, 0.01) 241/333 Test #241: origtest_cansmi_1 ................................................................................... Passed 1.30 sec test 247 Start 247: origtest_ffghemical_1 247: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffghemical" "1" 247: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 247: Environment variables: 247: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 247: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 247: Test timeout computed to be: 1500 247: # Testing Ghemical Force Field... 246: angle ( 0.023, 0.417, -0.092) ( 0.030, 0.425, -0.086) ( 0.02, 0.36, 0.05) 246: torsion ( -0.075, 0.059, 0.081) ( -0.074, 0.061, 0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 22.265, 6.864, -2.694) ( 22.266, 6.864, -2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 56 (-127.758, 175.179, 201.756) (-127.730, 175.217, 201.780) ( 0.02, 0.02, 0.01) 246: bond (-105.528, 167.839, 204.461) (-105.508, 167.867, 204.477) ( 0.02, 0.02, 0.01) 246: angle ( -0.037, 0.417, -0.092) ( -0.030, 0.425, -0.086) ( 0.03, 0.36, 0.05) 246: torsion ( 0.072, 0.059, 0.081) ( 0.074, 0.061, 0.083) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-22.266, 6.864, -2.694) (-22.266, 6.864, -2.694) ( 0.00, 0.01, 0.01) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 57 (175.179, 201.756, -127.758) (175.217, 201.780, -127.730) ( 0.02, 0.01, 0.02) 246: bond (167.839, 204.461, -105.528) (167.867, 204.477, -105.508) ( 0.02, 0.01, 0.02) 246: angle ( 0.417, -0.092, -0.037) ( 0.425, -0.086, -0.030) ( 0.36, 0.05, 0.03) 246: torsion ( 0.059, 0.081, 0.072) ( 0.061, 0.083, 0.074) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.864, -2.694, -22.266) ( 6.864, -2.694, -22.266) ( 0.01, 0.01, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 58 (-280.461, -79.182, 45.542) (-280.423, -79.148, 45.561) ( 0.01, 0.04, 0.04) 246: bond (-269.822, -65.145, 61.024) (-269.793, -65.121, 61.035) ( 0.01, 0.04, 0.02) 246: angle ( 0.372, -0.189, 0.087) ( 0.379, -0.180, 0.092) ( 0.27, 0.16, 0.05) 246: torsion ( 0.076, -0.079, -0.134) ( 0.077, -0.078, -0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.087, -13.769, -15.435) (-11.087, -13.769, -15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 59 (280.385, -79.182, 45.542) (280.423, -79.148, 45.561) ( 0.01, 0.04, 0.04) 246: bond (269.764, -65.145, 61.024) (269.793, -65.121, 61.035) ( 0.01, 0.04, 0.02) 246: angle ( -0.386, -0.189, 0.087) ( -0.379, -0.180, 0.092) ( 0.28, 0.16, 0.05) 246: torsion ( -0.078, -0.079, -0.134) ( -0.077, -0.078, -0.131) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.087, -13.769, -15.435) ( 11.087, -13.769, -15.435) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 60 ( -0.039, -252.054, 153.584) ( -0.000, -252.014, 153.597) ( 0.15, 0.02, 0.01) 246: bond ( -0.027, -231.402, 164.441) ( 0.000, -231.370, 164.446) ( 0.07, 0.01, 0.00) 246: angle ( -0.010, -0.078, 0.245) ( 0.000, -0.070, 0.248) ( 0.01, 0.06, 0.08) 246: torsion ( -0.001, 0.027, 0.087) ( -0.000, 0.028, 0.091) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.001, -20.602, -11.189) ( 0.000, -20.601, -11.189) ( 0.00, 0.00, 0.00) 246: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: ok 18 # gradients 246: ok 19 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (128.296, -35.573, -1.888) (128.330, -35.535, -1.883) ( 0.03, 0.11, 0.29) 246: bond (218.773, -102.594, 0.838) (218.799, -102.565, 0.837) ( 0.01, 0.03, 0.06) 246: angle (-68.683, 105.729, 0.647) (-68.676, 105.737, 0.647) ( 0.01, 0.01, 0.02) 246: torsion ( 0.038, 0.040, -3.549) ( 0.038, 0.040, -3.543) ( 0.00, 0.00, 0.17) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-20.813, -37.299, 0.127) (-20.813, -37.298, 0.126) ( 0.00, 0.00, 0.00) 246: electro ( -1.019, -1.448, 0.050) ( -1.019, -1.448, 0.050) ( 0.00, 0.00, 0.00) 246: 2 (281.068, -1188.291, -17.634) (281.102, -1188.250, -17.626) ( 0.01, 0.00, 0.04) 246: bond (199.175, -1090.331, -15.615) (199.206, -1090.299, -15.611) ( 0.02, 0.00, 0.02) 246: angle ( 69.460, -67.272, 0.308) ( 69.464, -67.264, 0.307) ( 0.00, 0.01, 0.01) 246: torsion ( -0.023, 0.021, -1.836) ( -0.023, 0.021, -1.832) ( 0.00, 0.00, 0.22) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.333, -37.494, -0.530) ( 15.333, -37.493, -0.530) ( 0.00, 0.00, 0.00) 246: electro ( -2.877, 6.785, 0.040) ( -2.877, 6.785, 0.040) ( 0.00, 0.00, 0.00) 246: 3 (-95.225, 97.149, 0.483) (-95.191, 97.186, 0.488) ( 0.04, 0.04, 0.23) 246: bond ( 63.762, 122.448, -0.384) ( 63.785, 122.476, -0.384) ( 0.04, 0.02, 0.01) 246: angle (-186.520, -27.262, 1.747) (-186.510, -27.252, 1.749) ( 0.01, 0.03, 0.10) 246: torsion ( 0.007, -0.009, -0.836) ( 0.007, -0.009, -0.832) ( 0.00, 0.00, 0.27) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 29.633, 0.508, -0.018) ( 29.634, 0.508, -0.018) ( 0.00, 0.00, 0.00) 246: electro ( -2.107, 1.463, -0.026) ( -2.107, 1.463, -0.026) ( 0.00, 0.00, 0.00) 246: 4 ( 94.737, 157.424, -0.489) ( 94.780, 157.473, -0.485) ( 0.05, 0.03, 0.19) 246: bond (-46.361, -63.712, 0.736) (-46.328, -63.677, 0.736) ( 0.07, 0.06, 0.01) 246: angle (123.050, 192.290, -1.188) (123.061, 192.303, -1.188) ( 0.01, 0.01, 0.00) 246: torsion ( -0.003, -0.009, 1.181) ( -0.003, -0.009, 1.185) ( 0.00, 0.00, 0.33) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 22.661, 34.033, -1.182) ( 22.662, 34.034, -1.182) ( 0.00, 0.00, 0.01) 246: electro ( -4.612, -5.178, -0.035) ( -4.612, -5.178, -0.035) ( 0.00, 0.00, 0.00) 246: 5 ( 50.085, 46.745, -5.713) ( 50.097, 46.767, -5.713) ( 0.02, 0.05, 0.01) 246: bond ( 19.816, 34.187, -0.459) ( 19.823, 34.207, -0.459) ( 0.03, 0.06, 0.01) 246: angle ( -3.956, 2.291, 0.156) ( -3.952, 2.292, 0.156) ( 0.08, 0.05, 0.00) 246: torsion ( 0.006, 0.008, 0.847) ( 0.006, 0.008, 0.847) ( 0.00, 0.00, 0.06) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 36.360, 13.815, -6.604) ( 36.362, 13.816, -6.604) ( 0.01, 0.01, 0.00) 246: electro ( -2.141, -3.556, 0.346) ( -2.141, -3.556, 0.346) ( 0.00, 0.00, 0.00) 246: 6 ( 41.005, -127.450, -1.432) ( 41.044, -127.413, -1.426) ( 0.10, 0.03, 0.42) 246: bond ( 11.187, -3.409, -0.560) ( 11.216, -3.383, -0.559) ( 0.26, 0.74, 0.02) 246: angle ( 48.460, -158.897, 1.836) ( 48.470, -158.886, 1.838) ( 0.02, 0.01, 0.12) 246: torsion ( -0.002, -0.007, -2.722) ( -0.002, -0.007, -2.718) ( 0.00, 0.00, 0.13) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-21.313, 35.607, 0.035) (-21.313, 35.608, 0.035) ( 0.00, 0.00, 0.00) 246: electro ( 2.674, -0.745, -0.021) ( 2.674, -0.745, -0.021) ( 0.00, 0.00, 0.00) 246: 7 (-172.336, 176.366, 1.808) (-172.289, 176.402, 1.812) ( 0.03, 0.02, 0.22) 246: bond (-39.092, 208.455, 0.645) (-39.056, 208.480, 0.644) ( 0.09, 0.01, 0.05) 246: angle (-117.591, -37.558, -0.021) (-117.580, -37.549, -0.021) ( 0.01, 0.03, 0.00) 246: torsion ( -0.015, -0.016, 1.697) ( -0.015, -0.016, 1.702) ( 0.00, 0.00, 0.27) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-26.856, 1.037, -0.590) (-26.855, 1.037, -0.590) ( 0.00, 0.02, 0.00) 246: electro ( 11.217, 4.449, 0.077) ( 11.217, 4.449, 0.078) ( 0.00, 0.00, 0.00) 246: 8 (-71.877, 25.255, -1.766) (-71.850, 25.261, -1.766) ( 0.04, 0.02, 0.04) 246: bond (-48.136, 0.639, -0.319) (-48.109, 0.639, -0.319) ( 0.06, 0.01, 0.01) 246: angle ( 0.447, 33.751, 0.218) ( 0.447, 33.755, 0.219) ( 0.00, 0.01, 0.00) 246: torsion ( -0.002, 0.001, 0.249) ( -0.002, 0.001, 0.250) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-18.882, -13.305, -1.995) (-18.882, -13.304, -1.995) ( 0.00, 0.01, 0.00) 246: electro ( -5.304, 4.169, 0.081) ( -5.304, 4.169, 0.081) ( 0.00, 0.00, 0.00) 246: 9 (107.964, 16.302, 0.120) (107.998, 16.335, 0.125) ( 0.03, 0.21, 0.06) 246: bond (-114.432, -52.818, -1.214) (-114.405, -52.794, -1.215) ( 0.02, 0.05, 0.03) 246: angle (213.876, 81.450, 1.116) (213.883, 81.460, 1.118) ( 0.00, 0.01, 0.23) 246: torsion ( -0.007, 0.012, 0.300) ( -0.007, 0.012, 0.303) ( 0.00, 0.00, 0.09) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.635, -6.803, -0.038) ( 4.635, -6.803, -0.038) ( 0.00, 0.00, 0.00) 246: electro ( 3.892, -5.540, -0.044) ( 3.892, -5.540, -0.044) ( 0.00, 0.00, 0.00) 246: 10 (-1232.123, 378.660, 7.823) (-1232.101, 378.688, 7.832) ( 0.00, 0.01, 0.11) 246: bond (-1219.073, 393.320, 6.949) (-1219.052, 393.348, 6.957) ( 0.00, 0.01, 0.11) 246: angle ( 0.014, 0.007, -0.000) ( 0.014, 0.007, -0.000) ( 0.00, 0.00, 0.00) 246: torsion ( 0.013, -0.025, 1.906) ( 0.013, -0.025, 1.907) ( 0.00, 0.00, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-15.447, -14.655, -1.091) (-15.447, -14.655, -1.091) ( 0.00, 0.00, 0.00) 246: electro ( 2.370, 0.013, 0.059) ( 2.370, 0.013, 0.059) ( 0.00, 0.00, 0.00) 246: 11 (868.110, 416.293, 5.883) (868.142, 416.327, 5.888) ( 0.00, 0.01, 0.09) 246: bond (931.068, 534.771, 7.333) (931.096, 534.801, 7.337) ( 0.00, 0.01, 0.05) 246: angle (-66.254, -120.686, -1.778) (-66.250, -120.682, -1.778) ( 0.01, 0.00, 0.01) 246: torsion ( -0.003, -0.008, 0.240) ( -0.003, -0.008, 0.242) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.363, 1.247, 0.074) ( 3.363, 1.247, 0.074) ( 0.00, 0.00, 0.00) 246: electro ( -0.064, 0.969, 0.013) ( -0.064, 0.969, 0.013) ( 0.00, 0.00, 0.00) 246: 12 ( 38.119, -4.461, 4.327) ( 38.147, -4.433, 4.353) ( 0.07, 0.64, 0.60) 246: bond ( 43.122, 15.663, 2.939) ( 43.141, 15.682, 2.958) ( 0.04, 0.12, 0.64) 246: angle ( -3.080, -2.207, 0.710) ( -3.071, -2.198, 0.717) ( 0.27, 0.41, 0.47) 246: torsion ( -0.010, -0.019, 0.925) ( -0.010, -0.019, 0.926) ( 0.00, 0.00, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.869, -18.372, -0.253) ( -1.869, -18.372, -0.253) ( 0.00, 0.00, 0.00) 246: electro ( -0.044, 0.475, 0.006) ( -0.044, 0.475, 0.006) ( 0.00, 0.00, 0.00) 246: 13 ( -3.814, -21.443, -0.726) ( -3.787, -21.414, -0.700) ( 0.71, 0.13, 1.87) 246: bond (-37.132, -0.822, -0.015) (-37.114, -0.803, 0.004) ( 0.05, 1.54, 0.03) 246: angle ( 8.038, -2.248, -1.177) ( 8.046, -2.239, -1.170) ( 0.10, 0.41, 0.57) 246: torsion ( 0.005, 0.002, 0.437) ( 0.005, 0.002, 0.438) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 25.611, -18.535, 0.028) ( 25.611, -18.535, 0.028) ( 0.00, 0.00, 0.00) 246: electro ( -0.336, 0.160, 0.000) ( -0.336, 0.160, 0.000) ( 0.00, 0.00, 0.00) 246: 14 ( -5.268, 4.089, -1.753) ( -5.240, 4.116, -1.727) ( 0.55, 0.68, 1.47) 246: bond ( 18.838, -35.431, -0.855) ( 18.857, -35.412, -0.837) ( 0.10, 0.05, 1.61) 246: angle ( -2.977, 9.335, -1.958) ( -2.968, 9.344, -1.951) ( 0.30, 0.09, 0.34) 246: torsion ( -0.005, 0.011, 1.087) ( -0.005, 0.011, 1.088) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-21.392, 30.685, -0.028) (-21.391, 30.686, -0.028) ( 0.01, 0.00, 0.00) 246: electro ( 0.268, -0.512, 0.001) ( 0.268, -0.512, 0.001) ( 0.00, 0.00, 0.00) 246: 15 (-13.220, 31.091, 0.684) (-13.218, 31.106, 0.684) ( 0.01, 0.05, 0.03) 246: bond ( -0.154, 33.589, 0.740) ( -0.154, 33.604, 0.740) ( 0.00, 0.04, 0.01) 246: angle (-15.890, -0.071, -0.069) (-15.888, -0.071, -0.069) ( 0.01, 0.00, 0.00) 246: torsion ( -0.000, -0.001, 0.039) ( -0.000, -0.001, 0.039) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.026, -0.316, 0.002) ( 1.026, -0.316, 0.002) ( 0.00, 0.00, 0.00) 246: electro ( 1.799, -2.110, -0.028) ( 1.799, -2.110, -0.028) ( 0.00, 0.00, 0.00) 246: 16 ( -1.881, -8.801, -0.757) ( -1.878, -8.787, -0.755) ( 0.13, 0.16, 0.15) 246: bond ( -0.134, -8.107, -0.342) ( -0.134, -8.093, -0.342) ( 0.00, 0.17, 0.00) 246: angle ( 2.859, -0.034, -0.321) ( 2.862, -0.034, -0.319) ( 0.09, 0.00, 0.07) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.279, -0.650, -0.070) ( -3.279, -0.650, -0.070) ( 0.00, 0.00, 0.00) 246: electro ( -1.328, -0.010, -0.024) ( -1.328, -0.010, -0.024) ( 0.00, 0.00, 0.00) 246: 17 ( -4.370, 0.985, 5.557) ( -4.365, 0.988, 5.567) ( 0.11, 0.32, 0.19) 246: bond ( -2.662, 1.728, 4.686) ( -2.659, 1.730, 4.695) ( 0.12, 0.07, 0.21) 246: angle ( 0.322, 0.016, 0.176) ( 0.323, 0.018, 0.177) ( 0.06, 0.00, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.867, -1.505, 0.633) ( -0.867, -1.504, 0.633) ( 0.00, 0.00, 0.00) 246: electro ( -1.161, 0.746, 0.063) ( -1.161, 0.746, 0.063) ( 0.00, 0.00, 0.00) 246: 18 ( -5.504, 1.672, -8.084) ( -5.499, 1.676, -8.074) ( 0.09, 0.23, 0.12) 246: bond ( -3.864, 3.113, -6.665) ( -3.861, 3.115, -6.656) ( 0.08, 0.06, 0.14) 246: angle ( 0.665, -0.087, -0.428) ( 0.667, -0.086, -0.427) ( 0.13, 0.02, 0.03) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.126, -2.162, -0.950) ( -1.126, -2.162, -0.950) ( 0.00, 0.00, 0.00) 246: electro ( -1.179, 0.809, -0.041) ( -1.179, 0.809, -0.041) ( 0.00, 0.00, 0.00) 246: 19 ( 2.471, 2.206, -8.584) ( 2.474, 2.208, -8.571) ( 0.15, 0.13, 0.14) 246: bond ( 2.793, 2.223, -8.000) ( 2.794, 2.224, -7.988) ( 0.05, 0.04, 0.15) 246: angle ( -1.138, 0.137, -0.359) ( -1.136, 0.139, -0.359) ( 0.19, 0.03, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.125, -0.749, -0.532) ( 1.125, -0.748, -0.532) ( 0.00, 0.00, 0.00) 246: electro ( -0.309, 0.594, 0.307) ( -0.309, 0.594, 0.307) ( 0.00, 0.00, 0.00) 246: 20 ( 11.893, -3.594, 3.602) ( 11.897, -3.582, 3.605) ( 0.04, 0.34, 0.07) 246: bond ( 3.073, -7.944, 2.047) ( 3.075, -7.932, 2.047) ( 0.06, 0.15, 0.04) 246: angle ( -4.627, -1.768, 0.098) ( -4.625, -1.767, 0.100) ( 0.05, 0.02, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.975, 6.517, 1.574) ( 13.975, 6.517, 1.574) ( 0.00, 0.00, 0.00) 246: electro ( -0.528, -0.400, -0.116) ( -0.528, -0.400, -0.116) ( 0.00, 0.00, 0.00) 246: 21 ( 8.288, 3.291, 8.967) ( 8.291, 3.298, 8.975) ( 0.05, 0.23, 0.08) 246: bond ( 3.137, 6.237, 6.237) ( 3.139, 6.244, 6.244) ( 0.05, 0.10, 0.10) 246: angle ( -2.271, 0.849, 0.289) ( -2.268, 0.850, 0.291) ( 0.10, 0.10, 0.03) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 8.099, -4.775, 2.825) ( 8.099, -4.775, 2.825) ( 0.00, 0.00, 0.00) 246: electro ( -0.678, 0.980, -0.385) ( -0.678, 0.980, -0.385) ( 0.00, 0.00, 0.00) 246: 22 ( -7.209, 8.539, 9.096) ( -7.199, 8.542, 9.103) ( 0.13, 0.03, 0.07) 246: bond ( -7.592, -0.446, 5.750) ( -7.583, -0.446, 5.755) ( 0.12, 0.00, 0.09) 246: angle ( 0.316, -3.141, 0.173) ( 0.317, -3.139, 0.174) ( 0.02, 0.08, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.310, 13.218, 3.611) ( 0.310, 13.218, 3.611) ( 0.00, 0.00, 0.00) 246: electro ( -0.243, -1.091, -0.438) ( -0.243, -1.091, -0.438) ( 0.00, 0.00, 0.00) 246: 23 (-17.717, 21.345, 8.253) (-17.709, 21.354, 8.256) ( 0.04, 0.04, 0.04) 246: bond ( 6.018, 7.206, 3.106) ( 6.023, 7.213, 3.107) ( 0.09, 0.10, 0.04) 246: angle ( 4.963, -4.166, 0.043) ( 4.965, -4.165, 0.045) ( 0.03, 0.03, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-30.269, 18.907, 5.408) (-30.268, 18.907, 5.408) ( 0.00, 0.00, 0.00) 246: electro ( 1.571, -0.601, -0.303) ( 1.571, -0.601, -0.303) ( 0.00, 0.00, 0.00) 246: 24 ( -1.980, 1.683, -7.974) ( -1.977, 1.686, -7.961) ( 0.16, 0.17, 0.16) 246: bond ( -2.499, 1.642, -7.703) ( -2.498, 1.643, -7.690) ( 0.05, 0.03, 0.16) 246: angle ( 0.405, -0.575, -0.255) ( 0.407, -0.573, -0.255) ( 0.08, 0.13, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.024, 1.037, -0.436) ( -0.024, 1.037, -0.436) ( 0.00, 0.00, 0.00) 246: electro ( 0.138, -0.421, 0.420) ( 0.138, -0.421, 0.420) ( 0.00, 0.00, 0.00) 246: ok 20 # gradients 246: ok 21 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (-22.308, -43.542, -24.843) (-22.281, -43.516, -24.816) ( 0.12, 0.06, 0.11) 246: bond (-14.531, -30.893, -8.732) (-14.514, -30.876, -8.714) ( 0.12, 0.06, 0.21) 246: angle ( 2.512, -2.285, -10.607) ( 2.522, -2.276, -10.598) ( 0.37, 0.38, 0.08) 246: torsion ( -2.655, -2.742, -4.981) ( -2.654, -2.742, -4.981) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -7.525, -7.528, -0.566) ( -7.525, -7.528, -0.566) ( 0.00, 0.00, 0.00) 246: electro ( -0.109, -0.093, 0.043) ( -0.109, -0.093, 0.043) ( 0.00, 0.00, 0.00) 246: 2 (-63.836, 37.192, 9.403) (-63.808, 37.218, 9.429) ( 0.04, 0.07, 0.28) 246: bond (-19.887, 31.641, -3.832) (-19.869, 31.659, -3.814) ( 0.09, 0.06, 0.46) 246: angle (-21.218, 1.942, 26.416) (-21.210, 1.950, 26.425) ( 0.04, 0.44, 0.03) 246: torsion ( -4.470, 2.457, 2.254) ( -4.470, 2.457, 2.255) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-17.943, 1.510, -15.520) (-17.943, 1.511, -15.520) ( 0.00, 0.00, 0.00) 246: electro ( -0.317, -0.358, 0.084) ( -0.317, -0.358, 0.084) ( 0.00, 0.00, 0.00) 246: 3 ( 24.879, 35.511, -41.054) ( 24.906, 35.538, -41.027) ( 0.11, 0.08, 0.07) 246: bond ( 43.021, -1.284, 21.164) ( 43.039, -1.266, 21.182) ( 0.04, 1.41, 0.09) 246: angle ( -8.872, 26.134, -47.437) ( -8.864, 26.143, -47.429) ( 0.10, 0.03, 0.02) 246: torsion ( -0.191, 2.872, -3.368) ( -0.191, 2.872, -3.368) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.262, 7.953, -11.544) ( -9.262, 7.953, -11.543) ( 0.00, 0.01, 0.00) 246: electro ( 0.184, -0.164, 0.131) ( 0.184, -0.164, 0.131) ( 0.00, 0.00, 0.00) 246: 4 ( 2.828, -39.628, 46.776) ( 2.857, -39.600, 46.801) ( 1.00, 0.07, 0.06) 246: bond ( 33.477, -2.989, 17.076) ( 33.496, -2.970, 17.094) ( 0.06, 0.61, 0.11) 246: angle (-26.689, -10.403, 39.611) (-26.679, -10.394, 39.618) ( 0.03, 0.09, 0.02) 246: torsion ( -0.440, -5.890, -14.995) ( -0.440, -5.890, -14.994) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.482, -20.368, 5.117) ( -3.482, -20.368, 5.117) ( 0.00, 0.00, 0.00) 246: electro ( -0.038, 0.022, -0.034) ( -0.038, 0.022, -0.034) ( 0.00, 0.00, 0.00) 246: 5 ( 73.049, 5.536, -12.631) ( 73.088, 5.567, -12.622) ( 0.05, 0.57, 0.07) 246: bond ( 36.993, 27.428, -1.146) ( 37.023, 27.450, -1.144) ( 0.08, 0.08, 0.13) 246: angle ( 33.662, -7.390, -34.834) ( 33.670, -7.382, -34.831) ( 0.02, 0.12, 0.01) 246: torsion ( 1.264, 4.163, 20.949) ( 1.264, 4.163, 20.953) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.115, -19.347, 2.757) ( 1.116, -19.347, 2.757) ( 0.05, 0.00, 0.00) 246: electro ( 0.015, 0.682, -0.357) ( 0.015, 0.682, -0.357) ( 0.00, 0.00, 0.00) 246: 6 (-77.127, -1.074, 3.759) (-77.090, -1.042, 3.766) ( 0.05, 2.99, 0.21) 246: bond (-78.710, 18.207, -6.480) (-78.680, 18.229, -6.479) ( 0.04, 0.12, 0.02) 246: angle ( -4.204, 3.671, 5.342) ( -4.197, 3.680, 5.343) ( 0.17, 0.25, 0.03) 246: torsion ( -0.397, -2.218, -2.463) ( -0.397, -2.218, -2.458) ( 0.00, 0.01, 0.20) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.356, -21.178, 7.702) ( 6.356, -21.178, 7.702) ( 0.00, 0.00, 0.00) 246: electro ( -0.173, 0.445, -0.341) ( -0.173, 0.445, -0.341) ( 0.00, 0.00, 0.00) 246: 7 ( 49.490, -26.176, -7.776) ( 49.518, -26.148, -7.751) ( 0.06, 0.11, 0.33) 246: bond ( 18.673, 16.713, 0.892) ( 18.691, 16.732, 0.910) ( 0.10, 0.11, 1.63) 246: angle ( 26.683, -27.526, -4.329) ( 26.692, -27.516, -4.322) ( 0.03, 0.03, 0.15) 246: torsion ( 0.886, -2.319, -10.236) ( 0.886, -2.319, -10.235) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.288, -13.122, 6.005) ( 3.289, -13.121, 6.005) ( 0.01, 0.00, 0.00) 246: electro ( -0.039, 0.078, -0.109) ( -0.039, 0.078, -0.109) ( 0.00, 0.00, 0.00) 246: 8 (-35.192, 12.822, 53.744) (-35.165, 12.849, 53.771) ( 0.08, 0.22, 0.05) 246: bond (-20.989, 9.111, -28.842) (-20.972, 9.128, -28.824) ( 0.08, 0.19, 0.06) 246: angle (-25.736, 17.614, 80.518) (-25.726, 17.623, 80.527) ( 0.04, 0.05, 0.01) 246: torsion ( -2.011, -0.575, 3.948) ( -2.011, -0.575, 3.948) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 1 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (230.770, 15.548, 47.534) (230.842, 15.637, 47.545) ( 0.03, 0.58, 0.02) 247: bond (121.169, 86.026, 47.443) (121.228, 86.103, 47.449) ( 0.05, 0.09, 0.01) 247: angle (114.073, -75.278, 10.957) (114.085, -75.265, 10.959) ( 0.01, 0.02, 0.02) 247: torsion ( 2.315, 2.076, -10.103) ( 2.315, 2.076, -10.100) ( 0.00, 0.01, 0.02) 247: vdw ( -6.787, 2.723, -0.763) ( -6.787, 2.723, -0.763) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 ( 31.074, -55.193, 28.644) ( 31.177, -55.120, 28.657) ( 0.33, 0.13, 0.05) 247: bond (105.357, -149.034, -5.246) (105.440, -148.979, -5.239) ( 0.08, 0.04, 0.14) 247: angle (-80.367, 107.149, -3.347) (-80.347, 107.165, -3.343) ( 0.02, 0.02, 0.11) 247: torsion ( 9.368, -1.776, 23.908) ( 9.368, -1.776, 23.910) ( 0.00, 0.00, 0.01) 247: vdw ( -3.283, -11.531, 13.329) ( -3.283, -11.531, 13.329) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (-236.753, -106.456, -95.205) (-236.677, -106.370, -95.193) ( 0.03, 0.08, 0.01) 247: bond (-177.229, -86.227, -64.766) (-177.165, -86.154, -64.759) ( 0.04, 0.08, 0.01) 247: angle (-70.025, -29.241, -13.562) (-70.013, -29.228, -13.560) ( 0.02, 0.04, 0.02) 247: torsion ( 4.874, 3.954, -19.458) ( 4.874, 3.954, -19.456) ( 0.00, 0.00, 0.01) 247: vdw ( 5.628, 5.057, 2.581) ( 5.628, 5.057, 2.581) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-126.999, -160.981, -84.433) (-126.935, -160.889, -84.419) ( 0.05, 0.06, 0.02) 247: bond (-234.447, 24.970, -55.738) (-234.396, 25.050, -55.729) ( 0.02, 0.32, 0.02) 247: angle ( 99.611, -183.568, -21.468) ( 99.624, -183.556, -21.465) ( 0.01, 0.01, 0.01) 247: torsion ( 1.884, 1.751, -6.942) ( 1.884, 1.751, -6.941) ( 0.01, 0.01, 0.03) 247: vdw ( 5.953, -4.134, -0.285) ( 5.953, -4.134, -0.285) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-22.500, 327.225, 82.973) (-22.421, 327.266, 82.984) ( 0.35, 0.01, 0.01) 247: bond ( 38.244, 121.228, 41.806) ( 38.319, 121.256, 41.813) ( 0.20, 0.02, 0.02) 247: angle (-54.031, 208.040, 36.291) (-54.027, 208.053, 36.292) ( 0.01, 0.01, 0.00) 247: torsion ( -1.949, -1.946, 7.573) ( -1.949, -1.946, 7.574) ( 0.00, 0.01, 0.02) 247: vdw ( -4.764, -0.097, -2.696) ( -4.764, -0.097, -2.696) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 ( 32.880, -339.346, -69.860) ( 32.955, -339.260, -69.851) ( 0.23, 0.03, 0.01) 247: bond ( 86.762, -175.637, -21.392) ( 86.824, -175.563, -21.387) ( 0.07, 0.04, 0.02) 247: angle (-51.939, -157.049, -49.092) (-51.926, -157.038, -49.090) ( 0.03, 0.01, 0.00) 247: torsion ( -0.579, -0.614, 2.947) ( -0.579, -0.614, 2.949) ( 0.01, 0.01, 0.08) 247: vdw ( -0.865, -6.374, -2.432) ( -0.865, -6.374, -2.432) ( 0.02, 0.00, 0.00) 247: electro ( -0.499, 0.329, 0.109) ( -0.499, 0.329, 0.109) ( 0.00, 0.00, 0.00) 247: 7 (133.858, 88.163, -4.538) (133.901, 88.209, -4.499) ( 0.03, 0.05, 0.86) 247: bond (120.107, -51.316, -45.582) (120.140, -51.282, -45.553) ( 0.03, 0.07, 0.06) 247: angle ( 14.796, 145.842, 41.461) ( 14.806, 145.853, 41.471) ( 0.07, 0.01, 0.02) 247: torsion ( -0.612, -0.558, 2.434) ( -0.612, -0.558, 2.435) ( 0.00, 0.00, 0.01) 247: vdw ( -0.433, -5.805, -2.852) ( -0.433, -5.804, -2.852) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.550, -13.548, -1.907) ( 13.551, -13.547, -1.907) ( 0.00, 0.00, 0.01) 246: electro ( -0.006, 0.221, 0.027) ( -0.006, 0.221, 0.027) ( 0.00, 0.00, 0.00) 246: 9 ( 9.873, 27.136, -47.477) ( 9.901, 27.163, -47.450) ( 0.29, 0.10, 0.06) 246: bond (-30.658, 30.523, -29.944) (-30.639, 30.540, -29.927) ( 0.06, 0.06, 0.06) 246: angle ( 25.853, 9.550, -23.593) ( 25.863, 9.560, -23.584) ( 0.04, 0.10, 0.04) 246: torsion ( -0.469, -3.044, -4.166) ( -0.469, -3.044, -4.166) ( 0.01, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 15.131, -10.099, 10.271) ( 15.132, -10.099, 10.271) ( 0.00, 0.00, 0.00) 246: electro ( 0.016, 0.206, -0.044) ( 0.016, 0.206, -0.044) ( 0.00, 0.00, 0.00) 246: 10 ( 28.019, -40.005, 31.486) ( 28.044, -39.978, 31.512) ( 0.09, 0.07, 0.09) 246: bond ( 34.324, 10.400, 10.514) ( 34.340, 10.419, 10.532) ( 0.05, 0.18, 0.18) 246: angle (-23.006, -37.357, 30.359) (-22.997, -37.349, 30.367) ( 0.04, 0.02, 0.03) 246: torsion ( 0.490, -3.580, -3.486) ( 0.490, -3.580, -3.486) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 16.479, -9.577, -5.866) ( 16.479, -9.577, -5.866) ( 0.00, 0.00, 0.00) 246: electro ( -0.268, 0.108, -0.035) ( -0.268, 0.108, -0.035) ( 0.00, 0.00, 0.00) 246: 11 ( 42.944, -3.551, 3.573) ( 42.971, -3.526, 3.600) ( 0.06, 0.72, 0.75) 246: bond (-22.879, -5.120, -14.558) (-22.860, -5.103, -14.539) ( 0.08, 0.33, 0.13) 246: angle ( 61.432, 15.137, 19.736) ( 61.441, 15.145, 19.744) ( 0.01, 0.06, 0.04) 246: torsion ( -0.381, 1.027, 1.544) ( -0.381, 1.027, 1.544) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.982, -14.918, -3.077) ( 4.982, -14.917, -3.077) ( 0.01, 0.00, 0.00) 246: electro ( -0.210, 0.322, -0.072) ( -0.210, 0.322, -0.072) ( 0.00, 0.00, 0.00) 246: 12 (-30.929, -4.215, -23.764) (-30.903, -4.185, -23.738) ( 0.09, 0.70, 0.11) 246: bond (-66.490, 82.822, 23.511) (-66.473, 82.841, 23.529) ( 0.03, 0.02, 0.08) 246: angle ( 28.483, -89.468, -54.042) ( 28.492, -89.458, -54.035) ( 0.03, 0.01, 0.01) 246: torsion ( 1.674, 3.980, 1.439) ( 1.674, 3.980, 1.439) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.582, -1.625, 5.322) ( 5.582, -1.625, 5.322) ( 0.00, 0.01, 0.00) 246: electro ( -0.178, 0.077, 0.006) ( -0.178, 0.077, 0.006) ( 0.00, 0.00, 0.00) 246: 13 (-14.876, 12.813, 29.139) (-14.849, 12.841, 29.164) ( 0.19, 0.21, 0.09) 246: bond ( 64.127, -112.790, 27.092) ( 64.145, -112.772, 27.110) ( 0.03, 0.02, 0.07) 246: angle (-82.099, 120.864, 8.835) (-82.090, 120.873, 8.842) ( 0.01, 0.01, 0.08) 246: torsion ( -0.625, 3.574, -2.102) ( -0.625, 3.574, -2.101) ( 0.01, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.773, 1.285, -4.822) ( 3.773, 1.285, -4.822) ( 0.00, 0.01, 0.00) 246: electro ( -0.051, -0.120, 0.136) ( -0.051, -0.120, 0.136) ( 0.00, 0.00, 0.00) 246: 14 ( 2.250, -33.695, 6.772) ( 2.278, -33.668, 6.798) ( 1.21, 0.08, 0.39) 246: bond (-77.710, 60.285, -35.054) (-77.692, 60.303, -35.036) ( 0.02, 0.03, 0.05) 246: angle ( 75.670, -103.322, 38.094) ( 75.679, -103.314, 38.101) ( 0.01, 0.01, 0.02) 246: torsion ( 1.249, -0.162, 1.416) ( 1.249, -0.161, 1.417) ( 0.01, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.027, 9.584, 2.523) ( 3.027, 9.584, 2.523) ( 0.00, 0.00, 0.01) 246: electro ( 0.015, -0.080, -0.207) ( 0.015, -0.080, -0.207) ( 0.00, 0.00, 0.00) 246: 15 (-39.902, 19.803, -0.379) (-39.875, 19.830, -0.353) ( 0.07, 0.14, 0.99) 247: 8 ( -8.961, 88.814, 12.903) ( -8.949, 88.851, 12.924) ( 0.13, 0.04, 0.16) 247: bond (-20.203, 101.675, 18.600) (-20.201, 101.710, 18.616) ( 0.01, 0.04, 0.09) 247: angle ( 38.037, -13.083, 7.156) ( 38.047, -13.081, 7.160) ( 0.03, 0.01, 0.06) 247: torsion (-21.767, -2.156, -9.606) (-21.768, -2.156, -9.606) ( 0.00, 0.00, 0.00) 247: vdw ( -5.028, 2.378, -3.247) ( -5.027, 2.378, -3.247) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 ( -1.781, 27.438, 6.210) ( -1.735, 27.485, 6.259) ( 2.59, 0.17, 0.79) 247: bond ( -2.842, -29.193, 13.720) ( -2.805, -29.158, 13.757) ( 1.28, 0.12, 0.27) 247: angle ( -6.775, 56.706, -9.037) ( -6.765, 56.718, -9.025) ( 0.15, 0.02, 0.13) 247: torsion ( 8.642, -0.633, 2.133) ( 8.642, -0.634, 2.133) ( 0.01, 0.02, 0.01) 247: vdw ( -0.806, 0.558, -0.606) ( -0.806, 0.558, -0.606) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (121.026, 97.357, 77.519) (121.076, 97.405, 77.566) ( 0.04, 0.05, 0.06) 247: bond ( 55.916, 58.881, 22.131) ( 55.952, 58.916, 22.168) ( 0.06, 0.06, 0.17) 247: angle ( 65.497, 37.697, 49.927) ( 65.510, 37.710, 49.937) ( 0.02, 0.04, 0.02) 247: torsion ( -1.399, -1.243, 5.820) ( -1.399, -1.243, 5.820) ( 0.00, 0.00, 0.01) 247: vdw ( 1.013, 2.022, -0.358) ( 1.013, 2.022, -0.358) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (-178.441, 56.536, -12.123) (-178.391, 56.584, -12.076) ( 0.03, 0.09, 0.39) 247: bond (-113.413, 39.694, -12.800) (-113.376, 39.729, -12.764) ( 0.03, 0.09, 0.28) 247: angle (-63.583, 15.799, 0.304) (-63.571, 15.813, 0.315) ( 0.02, 0.08, 0.31) 247: torsion ( -0.164, -0.169, 0.725) ( -0.164, -0.169, 0.726) ( 0.00, 0.00, 0.03) 247: vdw ( -1.281, 1.211, -0.352) ( -1.281, 1.211, -0.352) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-309.585, 168.570, -61.479) (-309.474, 168.656, -61.471) ( 0.04, 0.05, 0.01) 247: bond (-261.125, 204.404, -58.888) (-261.025, 204.475, -58.884) ( 0.04, 0.03, 0.01) 247: angle (-44.453, -44.369, -0.417) (-44.442, -44.354, -0.417) ( 0.03, 0.03, 0.01) 247: torsion ( 0.061, -0.086, -0.605) ( 0.061, -0.086, -0.601) ( 0.00, 0.00, 0.25) 247: vdw ( -4.068, 8.620, -1.569) ( -4.068, 8.620, -1.569) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 ( 43.845, -102.204, 20.477) ( 43.934, -102.124, 20.483) ( 0.20, 0.08, 0.03) 247: bond (117.722, -98.093, 27.700) (117.798, -98.025, 27.703) ( 0.06, 0.07, 0.01) 247: angle (-74.835, -7.801, -6.628) (-74.822, -7.789, -6.628) ( 0.02, 0.15, 0.00) 247: torsion ( 0.024, -0.039, -0.234) ( 0.024, -0.039, -0.230) ( 0.00, 0.00, 0.08) 247: vdw ( 2.133, 2.565, -0.133) ( 2.133, 2.565, -0.133) ( 0.00, 0.00, 0.00) 247: electro ( -1.199, 1.164, -0.229) ( -1.199, 1.164, -0.229) ( 0.00, 0.00, 0.00) 247: 14 (-36.109, -48.858, 3.417) (-36.039, -48.759, 3.424) ( 0.20, 0.20, 0.21) 247: bond (-115.278, -76.367, -0.800) (-115.221, -76.279, -0.797) ( 0.05, 0.11, 0.30) 247: angle ( 71.512, 27.575, 3.506) ( 71.525, 27.586, 3.506) ( 0.02, 0.04, 0.01) 247: torsion ( 0.015, -0.022, -0.148) ( 0.015, -0.022, -0.145) ( 0.00, 0.00, 0.05) 247: vdw ( 8.156, -0.533, 0.952) ( 8.157, -0.533, 0.952) ( 0.00, 0.00, 0.00) 247: electro ( -0.515, 0.489, -0.092) ( -0.515, 0.489, -0.092) ( 0.00, 0.00, 0.00) 247: 15 ( 33.113, 48.660, -4.041) ( 33.209, 48.734, -4.035) ( 0.29, 0.15, 0.17) 247: bond ( 31.105, 131.273, -16.544) ( 31.189, 131.334, -16.541) ( 0.27, 0.05, 0.02) 246: bond ( 3.025, -78.820, 25.958) ( 3.043, -78.802, 25.977) ( 0.59, 0.02, 0.07) 246: angle (-49.068, 110.969, -36.714) (-49.060, 110.978, -36.707) ( 0.02, 0.01, 0.02) 246: torsion ( -1.503, 1.058, -0.774) ( -1.503, 1.059, -0.774) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.677, -13.640, 11.362) ( 7.677, -13.639, 11.362) ( 0.00, 0.00, 0.00) 246: electro ( -0.032, 0.235, -0.211) ( -0.032, 0.235, -0.211) ( 0.00, 0.00, 0.00) 246: 16 ( 31.729, -35.552, 15.159) ( 31.757, -35.525, 15.186) ( 0.09, 0.07, 0.17) 246: bond ( -1.351, 47.387, -25.784) ( -1.333, 47.405, -25.766) ( 1.36, 0.04, 0.07) 246: angle ( 33.555, -81.751, 34.045) ( 33.564, -81.742, 34.052) ( 0.03, 0.01, 0.02) 246: torsion ( 1.197, -0.589, 7.374) ( 1.197, -0.589, 7.374) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.709, -0.821, -0.520) ( -1.709, -0.821, -0.520) ( 0.01, 0.01, 0.00) 246: electro ( 0.038, 0.221, 0.046) ( 0.038, 0.221, 0.046) ( 0.00, 0.00, 0.00) 246: 17 ( 6.118, -32.326, -49.852) ( 6.145, -32.298, -49.826) ( 0.43, 0.09, 0.05) 246: bond (-11.675, -75.819, 2.896) (-11.658, -75.800, 2.913) ( 0.14, 0.02, 0.61) 246: angle ( 12.832, 40.812, -50.366) ( 12.841, 40.821, -50.358) ( 0.07, 0.02, 0.02) 246: torsion ( 1.947, 1.741, -2.677) ( 1.947, 1.741, -2.677) ( 0.01, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.215, 1.061, 0.274) ( 3.216, 1.061, 0.274) ( 0.00, 0.00, 0.00) 246: electro ( -0.201, -0.121, 0.021) ( -0.201, -0.121, 0.021) ( 0.00, 0.00, 0.00) 246: 18 (-33.161, 52.536, 15.536) (-33.134, 52.563, 15.562) ( 0.08, 0.05, 0.17) 246: bond ( 0.939, 25.907, 0.494) ( 0.957, 25.925, 0.513) ( 1.75, 0.07, 0.92) 246: angle (-36.770, 12.993, 13.369) (-36.762, 13.000, 13.376) ( 0.02, 0.06, 0.06) 246: torsion ( 2.724, 0.710, 3.961) ( 2.724, 0.711, 3.961) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.234, 13.366, -2.363) ( -0.233, 13.367, -2.363) ( 0.01, 0.00, 0.00) 246: electro ( 0.180, -0.440, 0.075) ( 0.180, -0.440, 0.075) ( 0.00, 0.00, 0.00) 246: 19 ( 37.987, 7.123, 15.649) ( 38.014, 7.150, 15.676) ( 0.07, 0.38, 0.17) 246: bond ( -0.323, 9.038, 1.714) ( -0.305, 9.056, 1.733) ( 0.60, 0.21, 1.08) 246: angle ( 26.612, -1.957, 20.358) ( 26.620, -1.949, 20.366) ( 0.03, 0.41, 0.04) 246: torsion ( 1.649, -0.902, -3.804) ( 1.649, -0.902, -3.804) ( 0.00, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 10.597, 0.994, -2.622) ( 10.597, 0.994, -2.622) ( 0.00, 0.02, 0.00) 246: electro ( -0.547, -0.050, 0.004) ( -0.547, -0.050, 0.004) ( 0.00, 0.00, 0.00) 246: 20 (-10.381, 15.215, -40.486) (-10.354, 15.243, -40.459) ( 0.26, 0.18, 0.07) 246: bond ( 10.285, -8.664, 4.027) ( 10.303, -8.645, 4.045) ( 0.18, 0.21, 0.45) 246: angle ( 0.393, 19.206, -30.998) ( 0.400, 19.214, -30.989) ( 0.30, 0.04, 0.03) 246: torsion ( -3.530, -0.913, 0.087) ( -3.530, -0.913, 0.087) ( 0.00, 0.02, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-17.801, 5.682, -13.790) (-17.800, 5.683, -13.790) ( 0.00, 0.01, 0.00) 246: electro ( 0.272, -0.096, 0.188) ( 0.272, -0.096, 0.188) ( 0.00, 0.00, 0.00) 246: 21 ( 50.906, -23.098, -16.714) ( 50.934, -23.072, -16.686) ( 0.06, 0.11, 0.17) 246: bond (114.995, -1.709, -14.139) (115.014, -1.693, -14.122) ( 0.02, 0.96, 0.12) 246: angle (-67.309, -23.081, -4.995) (-67.299, -23.072, -4.984) ( 0.01, 0.04, 0.20) 247: angle ( -1.857, -74.929, 11.143) ( -1.845, -74.917, 11.143) ( 0.64, 0.02, 0.00) 247: torsion ( 0.027, -0.039, -0.263) ( 0.027, -0.039, -0.260) ( 0.00, 0.00, 0.08) 247: vdw ( 3.027, -7.745, 1.526) ( 3.027, -7.745, 1.526) ( 0.00, 0.00, 0.00) 247: electro ( 0.811, 0.101, 0.097) ( 0.811, 0.101, 0.097) ( 0.00, 0.00, 0.00) 247: 16 (121.317, -1.933, 14.143) (121.404, -1.852, 14.149) ( 0.07, 4.20, 0.04) 247: bond (133.239, -68.848, 24.454) (133.314, -68.779, 24.457) ( 0.06, 0.10, 0.01) 247: angle (-10.468, 68.924, -10.394) (-10.456, 68.937, -10.394) ( 0.12, 0.02, 0.00) 247: torsion ( 0.005, -0.025, -0.143) ( 0.005, -0.024, -0.140) ( 0.00, 0.00, 0.05) 247: vdw ( -2.434, -2.403, 0.153) ( -2.434, -2.403, 0.153) ( 0.00, 0.00, 0.00) 247: electro ( 0.975, 0.417, 0.073) ( 0.975, 0.417, 0.073) ( 0.00, 0.00, 0.00) 247: 17 (-325.590, 298.031, -75.555) (-325.500, 298.136, -75.547) ( 0.03, 0.04, 0.01) 247: bond (-371.855, 211.563, -66.837) (-371.779, 211.658, -66.833) ( 0.02, 0.04, 0.01) 247: angle ( 55.346, 85.009, -7.558) ( 55.360, 85.020, -7.558) ( 0.03, 0.01, 0.00) 247: torsion ( 0.036, -0.026, -0.174) ( 0.037, -0.026, -0.170) ( 0.00, 0.00, 0.06) 247: vdw ( -9.118, 1.484, -0.986) ( -9.118, 1.484, -0.986) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (164.570, -216.301, 59.167) (164.657, -216.222, 59.174) ( 0.05, 0.04, 0.01) 247: bond (138.178, -139.130, 38.931) (138.251, -139.065, 38.934) ( 0.05, 0.05, 0.01) 247: angle ( 25.727, -77.475, 12.790) ( 25.740, -77.460, 12.791) ( 0.05, 0.02, 0.00) 247: torsion ( -0.695, 0.990, 6.900) ( -0.695, 0.990, 6.903) ( 0.00, 0.01, 0.04) 247: vdw ( 2.153, -5.046, 0.612) ( 2.153, -5.046, 0.612) ( 0.00, 0.00, 0.00) 247: electro ( -0.792, 4.359, -0.065) ( -0.792, 4.359, -0.065) ( 0.00, 0.00, 0.00) 247: 19 (-965.766, 2663.086, -575.860) (-965.690, 2663.170, -575.850) ( 0.01, 0.00, 0.00) 247: bond (-1418.917, 2382.703, -443.048) (-1418.856, 2382.777, -443.040) ( 0.00, 0.00, 0.00) 247: angle (447.095, 281.029, -129.732) (447.109, 281.038, -129.733) ( 0.00, 0.00, 0.00) 247: torsion ( 0.024, 0.039, 0.308) ( 0.024, 0.039, 0.309) ( 0.00, 0.00, 0.05) 247: vdw ( 6.033, -0.685, -3.387) ( 6.033, -0.685, -3.387) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (114.232, -437.606, 83.440) (114.289, -437.539, 83.444) ( 0.05, 0.02, 0.00) 247: bond (358.499, -354.381, 86.813) (358.545, -354.320, 86.816) ( 0.01, 0.02, 0.00) 247: angle (-245.243, -83.323, -1.702) (-245.232, -83.318, -1.702) ( 0.00, 0.01, 0.01) 247: torsion ( 0.110, -0.237, -1.547) ( 0.110, -0.237, -1.546) ( 0.00, 0.00, 0.07) 247: vdw ( 0.866, 0.335, -0.124) ( 0.866, 0.335, -0.124) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (1412.002, -2219.798, 590.177) (1412.038, -2219.762, 590.203) ( 0.00, 0.00, 0.00) 247: bond (1625.070, -1930.637, 478.096) (1625.097, -1930.605, 478.116) ( 0.00, 0.00, 0.00) 247: angle (-197.172, -290.361, 113.648) (-197.163, -290.357, 113.653) ( 0.00, 0.00, 0.00) 247: torsion ( 0.078, -0.157, -1.123) ( 0.078, -0.157, -1.123) ( 0.00, 0.00, 0.02) 247: vdw (-21.130, 1.015, -0.657) (-21.129, 1.015, -0.657) ( 0.00, 0.00, 0.00) 247: electro ( 5.156, 0.342, 0.213) ( 5.156, 0.342, 0.213) ( 0.00, 0.00, 0.00) 247: 22 (-366.659, -78.515, -15.951) (-366.643, -78.496, -15.948) ( 0.00, 0.02, 0.02) 247: bond (-171.955, -219.996, -39.220) (-171.945, -219.980, -39.219) ( 0.01, 0.01, 0.00) 247: angle (-23.182, 13.743, 24.534) (-23.181, 13.744, 24.536) ( 0.01, 0.01, 0.01) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: torsion ( -2.620, -2.152, 2.914) ( -2.620, -2.152, 2.915) ( 0.01, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.715, 3.885, -0.499) ( 5.715, 3.886, -0.499) ( 0.00, 0.00, 0.00) 246: electro ( 0.125, -0.041, 0.005) ( 0.125, -0.041, 0.005) ( 0.00, 0.00, 0.00) 246: 22 (-16.148, 23.784, 55.343) (-16.122, 23.811, 55.371) ( 0.17, 0.11, 0.05) 246: bond ( 5.914, -13.650, -25.328) ( 5.932, -13.632, -25.309) ( 0.31, 0.13, 0.07) 246: angle (-16.459, 16.679, 60.398) (-16.451, 16.687, 60.406) ( 0.05, 0.05, 0.01) 246: torsion ( 0.827, -1.949, 1.055) ( 0.827, -1.949, 1.055) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.533, 22.878, 19.525) ( -6.533, 22.879, 19.525) ( 0.01, 0.00, 0.00) 246: electro ( 0.103, -0.174, -0.307) ( 0.103, -0.174, -0.307) ( 0.00, 0.00, 0.00) 246: 23 ( 1.239, 24.267, -60.315) ( 1.266, 24.294, -60.288) ( 2.16, 0.11, 0.04) 246: bond (-32.251, -19.993, 7.102) (-32.234, -19.975, 7.120) ( 0.06, 0.09, 0.26) 246: angle ( 42.431, 23.788, -56.689) ( 42.440, 23.797, -56.680) ( 0.02, 0.04, 0.01) 246: torsion ( -0.297, 6.929, -1.857) ( -0.297, 6.929, -1.856) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -8.931, 13.671, -9.129) ( -8.931, 13.672, -9.129) ( 0.00, 0.00, 0.00) 246: electro ( 0.288, -0.129, 0.257) ( 0.288, -0.129, 0.257) ( 0.00, 0.00, 0.00) 246: 24 (-42.391, 41.088, 4.587) (-42.363, 41.115, 4.614) ( 0.07, 0.07, 0.57) 246: bond ( 38.562, -24.577, -11.848) ( 38.580, -24.559, -11.830) ( 0.05, 0.08, 0.15) 246: angle (-65.211, 51.416, 37.818) (-65.202, 51.425, 37.826) ( 0.01, 0.02, 0.02) 246: torsion ( -4.487, 2.988, 1.987) ( -4.486, 2.988, 1.988) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.129, 11.373, -23.582) (-11.129, 11.373, -23.581) ( 0.01, 0.00, 0.00) 246: electro ( -0.126, -0.112, 0.211) ( -0.126, -0.112, 0.211) ( 0.00, 0.00, 0.00) 246: 25 (-28.101, -61.144, -25.772) (-28.073, -61.115, -25.745) ( 0.10, 0.05, 0.10) 246: bond (-98.484, -40.750, 51.097) (-98.467, -40.731, 51.115) ( 0.02, 0.05, 0.04) 246: angle ( 73.204, -34.175, -58.194) ( 73.213, -34.166, -58.186) ( 0.01, 0.03, 0.01) 246: torsion ( 2.203, -2.710, -10.758) ( 2.203, -2.710, -10.758) ( 0.01, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.869, 16.592, -7.909) ( -4.869, 16.592, -7.909) ( 0.01, 0.00, 0.00) 246: electro ( -0.154, -0.101, -0.008) ( -0.154, -0.101, -0.008) ( 0.00, 0.00, 0.00) 246: 26 ( 35.161, -13.615, -7.818) ( 35.190, -13.587, -7.791) ( 0.08, 0.21, 0.34) 246: bond (103.369, 5.170, -50.791) (103.386, 5.189, -50.773) ( 0.02, 0.35, 0.04) 246: angle (-63.196, -26.589, 42.786) (-63.185, -26.580, 42.794) ( 0.02, 0.03, 0.02) 246: torsion ( -1.603, -0.711, 1.139) ( -1.603, -0.710, 1.140) ( 0.01, 0.03, 0.08) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.485, 8.521, -0.920) ( -3.485, 8.521, -0.920) ( 0.01, 0.00, 0.00) 246: electro ( 0.076, -0.007, -0.032) ( 0.076, -0.007, -0.032) ( 0.00, 0.00, 0.00) 246: 27 (-14.837, 26.774, 43.062) (-14.810, 26.801, 43.089) ( 0.18, 0.10, 0.06) 246: bond ( 4.117, -17.524, -19.432) ( 4.135, -17.505, -19.413) ( 0.44, 0.11, 0.10) 246: angle (-13.628, 41.763, 43.917) (-13.620, 41.771, 43.925) ( 0.06, 0.02, 0.02) 246: torsion ( -0.358, -1.930, 0.806) ( -0.357, -1.930, 0.806) ( 0.01, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.096, 4.534, 18.317) ( -5.096, 4.534, 18.318) ( 0.01, 0.01, 0.00) 247: vdw (-160.520, 122.573, -1.512) (-160.516, 122.575, -1.512) ( 0.00, 0.00, 0.03) 247: electro (-11.002, 5.165, 0.246) (-11.002, 5.165, 0.246) ( 0.00, 0.00, 0.00) 247: 23 (-22.584, 54.833, 6.425) (-22.566, 54.848, 6.428) ( 0.08, 0.03, 0.05) 247: bond ( 15.086, 13.833, 6.673) ( 15.101, 13.845, 6.676) ( 0.09, 0.09, 0.04) 247: angle (-45.622, 49.256, 1.036) (-45.620, 49.258, 1.036) ( 0.01, 0.01, 0.01) 247: torsion ( 0.047, 0.044, -0.198) ( 0.047, 0.044, -0.198) ( 0.00, 0.00, 0.01) 247: vdw ( 7.493, -8.141, -1.046) ( 7.493, -8.141, -1.046) ( 0.00, 0.00, 0.00) 247: electro ( 0.412, -0.158, -0.040) ( 0.412, -0.158, -0.040) ( 0.00, 0.00, 0.00) 247: 24 (-16.608, -19.937, -12.909) (-16.604, -19.911, -12.905) ( 0.02, 0.13, 0.03) 247: bond ( -3.330, -18.505, 2.198) ( -3.329, -18.479, 2.198) ( 0.02, 0.14, 0.01) 247: angle (-13.113, -0.092, -20.627) (-13.110, -0.092, -20.624) ( 0.02, 0.00, 0.02) 247: torsion ( 0.001, -0.003, -0.022) ( 0.001, -0.003, -0.022) ( 0.00, 0.00, 0.00) 247: vdw ( -0.167, -1.338, 5.543) ( -0.167, -1.338, 5.543) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 ( 11.683, 5.989, 18.013) ( 11.692, 5.996, 18.033) ( 0.07, 0.12, 0.11) 247: bond ( 19.057, 11.460, 31.582) ( 19.064, 11.462, 31.601) ( 0.03, 0.02, 0.06) 247: angle (-13.425, 45.799, -8.517) (-13.423, 45.803, -8.516) ( 0.02, 0.01, 0.01) 247: torsion ( -0.014, -0.022, 0.017) ( -0.014, -0.022, 0.017) ( 0.00, 0.00, 0.00) 247: vdw ( 6.066, -51.248, -5.069) ( 6.066, -51.246, -5.069) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 ( 0.724, -29.231, -9.886) ( 0.729, -29.220, -9.867) ( 0.37, 0.04, 0.20) 247: bond ( 4.372, -9.327, -14.621) ( 4.374, -9.320, -14.603) ( 0.04, 0.08, 0.13) 247: angle ( -0.345, -31.995, 20.315) ( -0.342, -31.992, 20.316) ( 0.13, 0.01, 0.00) 247: torsion ( -6.009, 0.002, -1.801) ( -6.009, 0.002, -1.801) ( 0.00, 0.00, 0.00) 247: vdw ( 2.706, 12.090, -13.779) ( 2.706, 12.090, -13.778) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (-25.773, 20.839, -2.648) (-25.754, 20.850, -2.643) ( 0.07, 0.06, 0.18) 247: bond (-26.324, 19.256, -7.192) (-26.307, 19.266, -7.191) ( 0.07, 0.05, 0.02) 247: angle ( -1.773, -2.324, 0.259) ( -1.772, -2.322, 0.263) ( 0.07, 0.11, 0.09) 247: torsion ( 2.286, 4.628, 4.034) ( 2.286, 4.628, 4.034) ( 0.00, 0.00, 0.00) 247: vdw ( 0.038, -0.721, 0.252) ( 0.038, -0.721, 0.252) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 ( 31.717, 10.764, 4.950) ( 31.735, 10.776, 4.955) ( 0.06, 0.11, 0.10) 247: bond ( 24.691, 19.128, 8.139) ( 24.707, 19.138, 8.140) ( 0.07, 0.05, 0.02) 247: angle ( 4.802, -5.862, -0.807) ( 4.803, -5.860, -0.803) ( 0.04, 0.04, 0.26) 247: torsion ( 3.079, -3.340, -1.493) ( 3.079, -3.340, -1.494) ( 0.00, 0.00, 0.00) 247: vdw ( -0.855, 0.838, -0.889) ( -0.855, 0.838, -0.889) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 ( 17.273, -9.621, 3.628) ( 17.287, -9.611, 3.639) ( 0.08, 0.11, 0.30) 247: bond ( 27.772, -19.828, 22.921) ( 27.785, -19.821, 22.930) ( 0.05, 0.03, 0.04) 247: angle ( -7.655, -43.113, -27.996) ( -7.653, -43.111, -27.993) ( 0.03, 0.01, 0.01) 247: torsion ( -0.003, 0.001, 0.005) ( -0.003, 0.001, 0.005) ( 0.00, 0.00, 0.00) 247: vdw ( -2.841, 53.319, 8.698) ( -2.841, 53.320, 8.698) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 ( 8.872, 4.980, -31.183) ( 8.880, 4.987, -31.164) ( 0.10, 0.15, 0.06) 246: electro ( 0.128, -0.069, -0.547) ( 0.128, -0.069, -0.547) ( 0.00, 0.00, 0.00) 246: 28 ( 8.497, -0.257, -5.188) ( 8.512, -0.251, -5.172) ( 0.18, 0.15, 0.31) 246: bond ( 14.780, 7.587, 0.109) ( 14.794, 7.591, 0.120) ( 0.09, 0.05, 0.12) 246: angle ( -1.698, 5.503, -0.586) ( -1.696, 5.505, -0.581) ( 0.07, 0.03, 0.28) 246: torsion ( 3.366, -7.648, -0.412) ( 3.366, -7.648, -0.412) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.291, -7.560, -4.551) ( -9.291, -7.560, -4.551) ( 0.00, 0.00, 0.00) 246: electro ( 1.340, 1.861, 0.252) ( 1.340, 1.861, 0.252) ( 0.00, 0.00, 0.00) 246: 29 ( 1.135, 9.164, 22.858) ( 1.139, 9.169, 22.870) ( 0.29, 0.05, 0.05) 246: bond ( -5.112, 12.768, 26.865) ( -5.112, 12.770, 26.876) ( 0.01, 0.02, 0.04) 246: angle ( -1.676, -6.965, 2.989) ( -1.674, -6.963, 2.990) ( 0.14, 0.03, 0.02) 246: torsion ( 5.386, 0.895, 0.599) ( 5.386, 0.895, 0.599) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.489, 2.748, -7.812) ( 2.489, 2.748, -7.812) ( 0.01, 0.01, 0.00) 246: electro ( 0.049, -0.281, 0.216) ( 0.049, -0.281, 0.216) ( 0.00, 0.00, 0.00) 246: 30 ( 6.513, -5.402, -14.742) ( 6.517, -5.398, -14.729) ( 0.06, 0.07, 0.09) 246: bond ( 2.161, -3.150, -10.451) ( 2.161, -3.149, -10.438) ( 0.03, 0.04, 0.12) 246: angle ( -5.037, 5.760, -2.781) ( -5.035, 5.763, -2.781) ( 0.05, 0.04, 0.01) 246: torsion ( -3.391, 1.961, -1.294) ( -3.391, 1.961, -1.294) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 12.958, -10.001, -0.088) ( 12.958, -10.000, -0.088) ( 0.01, 0.00, 0.00) 246: electro ( -0.177, 0.028, -0.128) ( -0.177, 0.028, -0.128) ( 0.00, 0.00, 0.00) 246: 31 ( -1.275, 8.846, 19.336) ( -1.272, 8.850, 19.349) ( 0.27, 0.05, 0.07) 246: bond ( -5.210, 9.256, 28.211) ( -5.210, 9.257, 28.223) ( 0.01, 0.02, 0.04) 246: angle ( -2.481, 7.776, -3.009) ( -2.479, 7.778, -3.009) ( 0.10, 0.03, 0.01) 246: torsion ( 3.362, 4.451, -0.839) ( 3.362, 4.451, -0.839) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.174, -12.636, -4.980) ( 3.174, -12.636, -4.979) ( 0.01, 0.00, 0.00) 246: electro ( -0.120, -0.000, -0.047) ( -0.120, -0.000, -0.047) ( 0.00, 0.00, 0.00) 246: 32 ( 14.674, 13.014, 6.241) ( 14.677, 13.019, 6.252) ( 0.02, 0.04, 0.19) 246: bond ( -2.053, 4.526, 9.293) ( -2.053, 4.528, 9.304) ( 0.03, 0.06, 0.12) 246: angle ( 8.651, 6.694, -1.351) ( 8.653, 6.696, -1.350) ( 0.03, 0.03, 0.04) 246: torsion ( 6.608, 2.848, 0.072) ( 6.609, 2.848, 0.072) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.573, -1.248, -1.048) ( -0.573, -1.248, -1.048) ( 0.00, 0.00, 0.00) 246: electro ( 2.041, 0.195, -0.725) ( 2.041, 0.195, -0.725) ( 0.00, 0.00, 0.00) 246: 33 ( 18.911, -3.943, 2.356) ( 18.918, -3.940, 2.365) ( 0.04, 0.07, 0.38) 246: bond ( 10.734, -2.576, 12.310) ( 10.740, -2.575, 12.317) ( 0.06, 0.02, 0.06) 246: angle ( 11.242, -4.178, -10.677) ( 11.243, -4.176, -10.676) ( 0.01, 0.06, 0.01) 246: torsion ( -1.546, 0.545, 1.461) ( -1.546, 0.545, 1.461) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.573, 2.028, -1.039) ( -1.573, 2.028, -1.039) ( 0.00, 0.00, 0.00) 246: electro ( 0.054, 0.239, 0.301) ( 0.054, 0.239, 0.301) ( 0.00, 0.00, 0.00) 246: 34 ( 17.221, -5.670, -5.070) ( 17.226, -5.666, -5.060) ( 0.03, 0.08, 0.20) 246: bond ( 6.265, -5.629, -11.470) ( 6.267, -5.627, -11.461) ( 0.04, 0.04, 0.08) 247: bond ( 14.300, 12.483, -24.570) ( 14.306, 12.488, -24.553) ( 0.04, 0.04, 0.07) 247: angle ( -5.491, -6.853, -6.683) ( -5.488, -6.850, -6.681) ( 0.05, 0.05, 0.02) 247: torsion ( -0.006, 0.007, 0.000) ( -0.006, 0.007, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 0.068, -0.657, 0.070) ( 0.068, -0.657, 0.070) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 (-38.803, 21.558, -3.759) (-38.796, 21.575, -3.747) ( 0.02, 0.08, 0.31) 247: bond ( -9.767, 20.602, 16.092) ( -9.764, 20.617, 16.101) ( 0.03, 0.07, 0.06) 247: angle (-39.187, 1.263, -25.384) (-39.183, 1.265, -25.382) ( 0.01, 0.14, 0.01) 247: torsion ( 0.002, -0.008, 0.011) ( 0.002, -0.008, 0.011) ( 0.00, 0.00, 0.00) 247: vdw ( 10.149, -0.299, 5.522) ( 10.150, -0.299, 5.522) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 ( -1.413, -33.007, -7.791) ( -1.399, -32.990, -7.786) ( 0.98, 0.05, 0.06) 247: bond (-17.356, -19.718, -3.615) (-17.344, -19.703, -3.614) ( 0.07, 0.08, 0.01) 247: angle ( 25.951, -21.946, -4.917) ( 25.953, -21.945, -4.913) ( 0.01, 0.01, 0.08) 247: torsion ( 0.013, 0.004, -0.083) ( 0.013, 0.004, -0.083) ( 0.00, 0.00, 0.00) 247: vdw (-10.021, 8.654, 0.824) (-10.021, 8.654, 0.824) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 ( 14.342, 25.091, 24.049) ( 14.347, 25.101, 24.069) ( 0.04, 0.04, 0.08) 247: bond ( -8.159, 14.049, 22.197) ( -8.157, 14.056, 22.215) ( 0.03, 0.05, 0.08) 247: angle ( 25.372, 11.763, 1.871) ( 25.375, 11.766, 1.872) ( 0.01, 0.03, 0.07) 247: torsion ( -0.032, -0.072, 0.034) ( -0.032, -0.072, 0.034) ( 0.00, 0.00, 0.00) 247: vdw ( -2.839, -0.649, -0.052) ( -2.839, -0.649, -0.052) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 34 ( 14.982, 24.879, -21.566) ( 14.985, 24.891, -21.547) ( 0.02, 0.05, 0.09) 247: bond ( -1.186, 18.722, -25.133) ( -1.186, 18.732, -25.115) ( 0.01, 0.05, 0.07) 247: angle ( 16.567, 6.266, 3.891) ( 16.570, 6.268, 3.893) ( 0.02, 0.04, 0.04) 247: torsion ( 0.018, 0.066, 0.048) ( 0.018, 0.066, 0.048) ( 0.00, 0.00, 0.00) 247: vdw ( -0.417, -0.174, -0.372) ( -0.417, -0.174, -0.372) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 35 ( 4.828, 0.430, 0.212) ( 4.842, 0.451, 0.213) ( 0.29, 0.89, 0.02) 247: bond ( 1.611, 2.181, -0.163) ( 1.621, 2.200, -0.162) ( 0.63, 0.86, 0.00) 247: angle ( 3.124, -2.253, 0.734) ( 3.127, -2.251, 0.734) ( 0.12, 0.08, 0.00) 247: torsion ( 0.021, -0.030, -0.197) ( 0.021, -0.030, -0.196) ( 0.00, 0.00, 0.02) 247: vdw ( -0.881, 1.566, -0.324) ( -0.881, 1.566, -0.324) ( 0.00, 0.00, 0.00) 247: electro ( 0.953, -1.035, 0.162) ( 0.953, -1.035, 0.162) ( 0.00, 0.00, 0.00) 247: 36 (-38.521, 8.137, -5.650) (-38.493, 8.143, -5.648) ( 0.07, 0.08, 0.03) 247: bond (-41.790, 5.311, -5.340) (-41.762, 5.312, -5.339) ( 0.07, 0.01, 0.01) 247: angle ( 0.354, 2.444, -0.335) ( 0.354, 2.449, -0.335) ( 0.00, 0.22, 0.00) 247: torsion ( 0.022, -0.032, -0.207) ( 0.022, -0.032, -0.206) ( 0.00, 0.00, 0.01) 247: vdw ( 2.141, 0.498, 0.160) ( 2.141, 0.498, 0.160) ( 0.00, 0.01, 0.00) 247: electro ( 0.751, -0.084, 0.071) ( 0.751, -0.084, 0.071) ( 0.00, 0.00, 0.00) 247: 37 (-21.113, 33.562, -7.402) (-21.104, 33.587, -7.401) ( 0.05, 0.07, 0.03) 247: bond (-17.334, 38.426, -7.733) (-17.329, 38.450, -7.732) ( 0.03, 0.06, 0.01) 247: angle ( -3.889, -1.784, -0.159) ( -3.885, -1.783, -0.159) ( 0.12, 0.05, 0.00) 247: torsion ( -0.003, 0.004, 0.027) ( -0.003, 0.004, 0.028) ( 0.00, 0.00, 0.00) 247: vdw ( 0.176, -2.175, 0.348) ( 0.176, -2.175, 0.348) ( 0.00, 0.00, 0.00) 247: electro ( -0.062, -0.910, 0.114) ( -0.062, -0.910, 0.114) ( 0.00, 0.00, 0.00) 247: 38 ( -5.431, -0.451, 0.024) ( -5.417, -0.431, 0.025) ( 0.26, 0.91, 0.00) 247: bond ( -1.879, -2.467, 0.180) ( -1.868, -2.448, 0.180) ( 0.57, 0.74, 0.00) 247: angle ( -0.324, 0.244, 0.014) ( -0.321, 0.246, 0.014) ( 0.11, 0.05, 0.00) 247: torsion ( -0.045, 0.066, 0.437) ( -0.045, 0.066, 0.437) ( 0.00, 0.00, 0.03) 247: vdw ( -1.909, 0.542, -0.273) ( -1.909, 0.542, -0.273) ( 0.00, 0.00, 0.00) 247: electro ( -1.274, 1.163, -0.334) ( -1.274, 1.163, -0.334) ( 0.00, 0.00, 0.00) 247: 39 (204.595, -232.813, 17.423) (204.607, -232.783, 17.424) ( 0.01, 0.01, 0.00) 247: bond (-25.243, -90.642, 9.182) (-25.240, -90.615, 9.182) ( 0.01, 0.03, 0.01) 247: angle ( 46.593, -12.125, 8.430) ( 46.598, -12.125, 8.430) ( 0.01, 0.00, 0.00) 247: torsion ( 0.323, -0.400, -3.056) ( 0.323, -0.400, -3.055) ( 0.00, 0.00, 0.02) 247: vdw (176.635, -118.304, 3.193) (176.640, -118.302, 3.193) ( 0.00, 0.00, 0.02) 247: electro ( 6.286, -11.341, -0.326) ( 6.286, -11.341, -0.326) ( 0.00, 0.00, 0.00) 247: ok 2 # gradients 247: ok 3 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 ( 25.189, 13.959, 7.126) ( 25.262, 14.010, 7.142) ( 0.29, 0.36, 0.21) 247: bond ( 58.080, 0.609, 15.368) ( 58.147, 0.652, 15.373) ( 0.12, 2.59, 0.03) 247: angle (-33.014, 13.257, -8.293) (-33.009, 13.265, -8.292) ( 0.02, 0.06, 0.00) 247: torsion ( -0.007, -0.001, 0.014) ( -0.006, -0.001, 0.024) ( 0.00, 0.00, 0.01) 247: vdw ( 0.130, 0.094, 0.037) ( 0.130, 0.094, 0.037) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (-135.053, -156.995, -40.782) (-134.971, -156.926, -40.765) ( 0.06, 0.04, 0.04) 247: bond (-168.640, -135.476, -48.829) (-168.564, -135.417, -48.824) ( 0.04, 0.04, 0.01) 247: angle ( 33.577, -21.520, 8.093) ( 33.584, -21.510, 8.096) ( 0.02, 0.04, 0.04) 247: torsion ( 0.009, 0.001, -0.046) ( 0.010, 0.001, -0.037) ( 0.00, 0.00, 0.04) 247: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 ( -0.629, -24.659, -0.927) ( -0.618, -24.639, -0.924) ( 0.65, 0.08, 0.29) 247: bond (-10.017, -15.265, -3.131) (-10.008, -15.245, -3.131) ( 0.08, 0.13, 0.02) 247: angle ( 13.893, -9.812, 3.354) ( 13.895, -9.811, 3.354) ( 0.01, 0.01, 0.00) 247: torsion ( -0.007, -0.001, 0.024) ( -0.007, -0.001, 0.027) ( 0.00, 0.00, 0.01) 247: vdw ( -3.372, 0.340, -0.879) ( -3.372, 0.340, -0.879) ( 0.00, 0.00, 0.00) 247: electro ( -1.126, 0.078, -0.295) ( -1.126, 0.078, -0.295) ( 0.00, 0.00, 0.00) 247: 4 ( 10.334, 23.137, 3.434) ( 10.342, 23.160, 3.437) ( 0.08, 0.10, 0.08) 247: bond ( -6.152, 11.706, -1.247) ( -6.146, 11.728, -1.247) ( 0.10, 0.19, 0.02) 247: angle ( 19.924, 11.039, 5.614) ( 19.926, 11.039, 5.614) ( 0.01, 0.01, 0.00) 247: torsion ( 0.009, 0.001, -0.036) ( 0.009, 0.001, -0.033) ( 0.00, 0.00, 0.01) 247: vdw ( -2.908, -0.086, -0.770) ( -2.908, -0.086, -0.770) ( 0.00, 0.00, 0.00) 247: electro ( -0.539, 0.478, -0.127) ( -0.539, 0.478, -0.127) ( 0.00, 0.00, 0.00) 247: 5 ( 2.550, -33.208, -0.403) ( 2.558, -33.185, -0.401) ( 0.31, 0.07, 0.10) 247: bond ( 12.210, -24.825, 2.432) ( 12.215, -24.802, 2.432) ( 0.05, 0.09, 0.00) 247: angle (-14.826, -7.709, -4.160) (-14.824, -7.709, -4.159) ( 0.01, 0.01, 0.00) 247: torsion ( 0.004, 0.000, -0.017) ( 0.004, 0.000, -0.015) ( 0.00, 0.00, 0.00) 247: vdw ( 3.498, -0.119, 0.920) ( 3.498, -0.119, 0.920) ( 0.00, 0.00, 0.00) 247: electro ( 1.664, -0.556, 0.422) ( 1.664, -0.556, 0.422) ( 0.00, 0.00, 0.00) 247: 6 (117.977, 192.469, 37.516) (118.027, 192.554, 37.534) ( 0.04, 0.04, 0.05) 247: bond (128.247, 182.517, 39.697) (128.287, 182.596, 39.700) ( 0.03, 0.04, 0.01) 247: angle (-13.318, 9.894, -3.023) (-13.308, 9.900, -3.010) ( 0.08, 0.06, 0.43) 247: torsion ( -0.009, -0.001, 0.033) ( -0.009, -0.001, 0.035) ( 0.00, 0.00, 0.00) 247: vdw ( 3.057, 0.060, 0.809) ( 3.057, 0.060, 0.809) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-20.624, -15.019, -6.028) (-20.600, -14.975, -6.022) ( 0.12, 0.30, 0.10) 247: bond (-13.952, -19.555, -4.305) (-13.930, -19.511, -4.303) ( 0.16, 0.22, 0.05) 247: angle ( -6.267, 4.824, -1.607) ( -6.264, 4.826, -1.603) ( 0.04, 0.03, 0.25) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -0.406, -0.289, -0.116) ( -0.406, -0.289, -0.116) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 4 # gradients 247: ok 5 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 ( 19.613, 39.037, -65.938) ( 19.662, 39.085, -65.888) ( 0.25, 0.12, 0.07) 247: bond ( 35.363, 4.708, -8.226) ( 35.398, 4.745, -8.190) ( 0.10, 0.78, 0.44) 247: angle (-11.879, 31.622, -54.395) (-11.867, 31.633, -54.382) ( 0.10, 0.04, 0.02) 247: torsion ( -0.001, 0.614, 0.357) ( -0.001, 0.615, 0.357) ( 0.00, 0.03, 0.01) 247: vdw ( -3.869, 2.093, -3.674) ( -3.868, 2.093, -3.674) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (119.205, -77.444, 130.932) (119.268, -77.418, 130.999) ( 0.05, 0.03, 0.05) 247: bond ( 91.119, -30.475, 52.665) ( 91.170, -30.454, 52.724) ( 0.06, 0.07, 0.11) 247: angle ( 28.099, -45.486, 79.118) ( 28.111, -45.483, 79.125) ( 0.04, 0.01, 0.01) 247: torsion ( -0.013, -1.484, -0.850) ( -0.013, -1.481, -0.849) ( 0.00, 0.18, 0.08) 247: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (-73.250, -10.850, 16.560) (-73.232, -10.836, 16.599) ( 0.02, 0.13, 0.24) 247: bond (-24.487, -24.043, 41.291) (-24.473, -24.030, 41.330) ( 0.06, 0.05, 0.09) 247: angle (-50.205, 12.814, -22.277) (-50.201, 12.815, -22.276) ( 0.01, 0.00, 0.00) 247: torsion ( 0.001, -0.781, -0.453) ( 0.001, -0.780, -0.453) ( 0.00, 0.05, 0.01) 247: vdw ( 0.738, 2.422, -4.194) ( 0.738, 2.422, -4.194) ( 0.01, 0.00, 0.00) 247: electro ( 0.704, -1.262, 2.192) ( 0.704, -1.262, 2.192) ( 0.00, 0.00, 0.00) 247: 4 ( 44.508, 37.050, -48.266) ( 44.565, 37.070, -48.218) ( 0.13, 0.05, 0.10) 247: bond (-23.001, 31.457, -52.235) (-22.956, 31.470, -52.196) ( 0.20, 0.04, 0.07) 247: angle ( 65.099, -0.277, 0.177) ( 65.110, -0.275, 0.184) ( 0.02, 0.07, 0.14) 247: torsion ( 0.043, 6.051, 3.476) ( 0.043, 6.055, 3.477) ( 0.00, 0.07, 0.04) 247: vdw ( 2.367, -0.181, 0.316) ( 2.367, -0.181, 0.316) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 ( -5.312, 28.754, -58.081) ( -5.302, 28.761, -58.062) ( 0.19, 0.03, 0.03) 247: bond ( 24.769, 25.591, -45.408) ( 24.774, 25.597, -45.389) ( 0.02, 0.02, 0.04) 247: angle (-37.301, 8.972, -15.298) (-37.296, 8.972, -15.297) ( 0.01, 0.00, 0.00) 247: torsion ( -0.040, -3.223, -1.839) ( -0.040, -3.222, -1.839) ( 0.00, 0.04, 0.02) 247: vdw ( 7.168, -3.099, 5.355) ( 7.168, -3.099, 5.355) ( 0.00, 0.00, 0.00) 247: electro ( 0.092, 0.513, -0.892) ( 0.092, 0.513, -0.892) ( 0.00, 0.00, 0.00) 247: 6 (-66.742, -5.678, 5.781) (-66.712, -5.676, 5.785) ( 0.04, 0.05, 0.08) 247: bond (-68.080, -2.555, 3.484) (-68.050, -2.555, 3.485) ( 0.04, 0.01, 0.01) 247: angle ( 0.031, -0.395, 0.321) ( 0.031, -0.394, 0.324) ( 0.00, 0.05, 0.12) 247: torsion ( 0.009, -1.188, -0.694) ( 0.009, -1.187, -0.694) ( 0.00, 0.08, 0.02) 247: vdw ( 2.093, -2.289, 3.970) ( 2.093, -2.289, 3.971) ( 0.00, 0.00, 0.00) 247: electro ( -0.795, 0.749, -1.300) ( -0.795, 0.749, -1.300) ( 0.00, 0.00, 0.00) 247: 7 (-12.100, -37.172, 8.219) (-12.095, -37.146, 8.223) ( 0.04, 0.07, 0.05) 247: bond (-10.745, -36.692, 0.762) (-10.743, -36.666, 0.762) ( 0.02, 0.07, 0.01) 247: angle ( 1.275, -0.185, 9.111) ( 1.278, -0.185, 9.115) ( 0.24, 0.00, 0.05) 247: torsion ( -0.001, 0.000, -0.007) ( -0.001, 0.000, -0.007) ( 0.00, 0.00, 0.00) 247: vdw ( -2.629, -0.295, -1.648) ( -2.629, -0.295, -1.648) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (-12.272, 11.176, 36.423) (-12.267, 11.185, 36.444) ( 0.04, 0.08, 0.06) 247: bond (-10.895, 17.429, 32.321) (-10.893, 17.434, 32.341) ( 0.02, 0.03, 0.06) 247: angle ( 1.384, -7.884, 4.714) ( 1.387, -7.880, 4.715) ( 0.22, 0.04, 0.03) 247: torsion ( 0.001, -0.006, 0.003) ( 0.001, -0.006, 0.003) ( 0.00, 0.00, 0.00) 247: vdw ( -2.762, 1.636, -0.616) ( -2.762, 1.636, -0.616) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (-13.893, 14.965, -25.900) (-13.885, 14.974, -25.882) ( 0.06, 0.06, 0.07) 247: bond (-14.232, 14.453, -24.883) (-14.227, 14.458, -24.866) ( 0.04, 0.04, 0.07) 247: angle ( 3.445, 0.795, -1.510) ( 3.448, 0.798, -1.509) ( 0.08, 0.26, 0.10) 247: torsion ( -0.000, 0.006, 0.003) ( -0.000, 0.006, 0.003) ( 0.00, 0.00, 0.00) 247: vdw ( -3.106, -0.288, 0.489) ( -3.106, -0.288, 0.489) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 6 # gradients 247: ok 7 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-25.630, -28.431, 14.154) (-25.582, -28.381, 14.202) ( 0.19, 0.18, 0.34) 247: bond (-19.895, 7.377, -11.925) (-19.860, 7.414, -11.888) ( 0.17, 0.50, 0.30) 247: angle (-14.896, -48.982, 7.455) (-14.883, -48.968, 7.466) ( 0.08, 0.03, 0.15) 247: torsion ( -5.124, 7.031, 17.238) ( -5.124, 7.031, 17.239) ( 0.00, 0.00, 0.00) 247: vdw ( 14.285, 6.143, 1.385) ( 14.285, 6.143, 1.385) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (-128.910, 113.784, -158.185) (-128.872, 113.809, -158.176) ( 0.03, 0.02, 0.01) 247: bond (-121.810, -58.450, -11.109) (-121.773, -58.436, -11.104) ( 0.03, 0.02, 0.05) 247: angle (-22.250, 193.608, -95.414) (-22.250, 193.620, -95.412) ( 0.00, 0.01, 0.00) 247: torsion ( 15.151, -21.375, -51.661) ( 15.151, -21.375, -51.660) ( 0.00, 0.00, 0.00) 247: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 ( 25.701, -34.004, -11.496) ( 25.706, -33.978, -11.492) ( 0.02, 0.08, 0.04) 247: bond ( -1.395, -30.167, -5.745) ( -1.395, -30.140, -5.745) ( 0.01, 0.09, 0.01) 247: angle (-26.840, 0.424, 4.286) (-26.837, 0.424, 4.289) ( 0.01, 0.01, 0.09) 247: torsion ( 8.044, 1.903, -11.939) ( 8.044, 1.903, -11.939) ( 0.00, 0.00, 0.00) 247: vdw ( 45.892, -6.165, 1.903) ( 45.893, -6.165, 1.903) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 ( 29.422, 24.486, 0.356) ( 29.443, 24.493, 0.363) ( 0.07, 0.03, 0.25) 247: bond ( 29.102, 11.932, -12.746) ( 29.123, 11.935, -12.742) ( 0.07, 0.03, 0.03) 247: angle ( 0.008, 2.865, 2.705) ( 0.009, 2.868, 2.708) ( 0.00, 0.12, 0.12) 247: torsion ( 0.559, 9.747, 10.407) ( 0.559, 9.747, 10.407) ( 0.00, 0.00, 0.00) 247: vdw ( -0.248, -0.058, -0.010) ( -0.248, -0.058, -0.010) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-14.201, -18.014, 39.388) (-14.197, -18.010, 39.416) ( 0.02, 0.02, 0.07) 247: bond ( -0.398, 5.832, 34.590) ( -0.398, 5.833, 34.617) ( 0.01, 0.01, 0.08) 247: angle ( -6.363, -12.617, 2.052) ( -6.359, -12.613, 2.052) ( 0.05, 0.03, 0.01) 247: torsion ( -8.696, -11.525, 1.842) ( -8.696, -11.525, 1.842) ( 0.00, 0.00, 0.00) 247: vdw ( 1.256, 0.295, 0.904) ( 1.256, 0.295, 0.904) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (189.902, -122.303, 155.949) (189.974, -122.252, 155.970) ( 0.04, 0.04, 0.01) 247: bond (103.167, 13.570, 25.866) (103.234, 13.611, 25.884) ( 0.06, 0.30, 0.07) 247: angle (105.259, -154.157, 97.805) (105.264, -154.146, 97.807) ( 0.00, 0.01, 0.00) 247: torsion (-10.098, 14.460, 34.616) (-10.098, 14.460, 34.618) ( 0.00, 0.00, 0.00) 247: vdw ( -8.426, 3.824, -2.338) ( -8.426, 3.824, -2.338) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 ( 28.297, 20.835, 1.996) ( 28.342, 20.848, 2.008) ( 0.16, 0.06, 0.60) 247: bond ( 12.873, -5.976, 6.570) ( 12.917, -5.967, 6.582) ( 0.34, 0.16, 0.18) 247: angle ( 15.468, 26.087, -6.706) ( 15.469, 26.090, -6.706) ( 0.01, 0.01, 0.00) 247: torsion ( -0.587, 0.850, 1.922) ( -0.587, 0.850, 1.922) ( 0.00, 0.01, 0.02) 247: vdw ( 0.543, -0.126, 0.210) ( 0.543, -0.126, 0.210) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (-104.818, 43.447, -42.297) (-104.813, 43.471, -42.291) ( 0.00, 0.06, 0.01) 247: bond ( -1.848, 55.726, -25.609) ( -1.848, 55.750, -25.603) ( 0.02, 0.04, 0.02) 247: angle (-50.415, -7.276, -12.204) (-50.413, -7.275, -12.204) ( 0.00, 0.00, 0.00) 247: torsion ( 0.751, -1.091, -2.429) ( 0.751, -1.091, -2.429) ( 0.00, 0.01, 0.01) 247: vdw (-53.305, -3.913, -2.055) (-53.304, -3.913, -2.055) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 8 # gradients 247: ok 9 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (105.440, -149.985, 260.331) (105.486, -149.942, 260.360) ( 0.04, 0.03, 0.01) 247: bond (105.838, -149.765, 260.004) (105.879, -149.728, 260.027) ( 0.04, 0.02, 0.01) 247: angle ( -0.389, -0.217, 0.334) ( -0.384, -0.211, 0.340) ( 0.21, 0.12, 0.21) 247: torsion ( -0.009, -0.003, -0.007) ( -0.009, -0.003, -0.007) ( 0.00, 0.00, 0.00) 247: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (-90.439, 1.612, -3.158) (-90.384, 1.663, -3.108) ( 0.06, 3.15, 1.59) 247: bond (-96.521, -0.000, 0.010) (-96.477, 0.040, 0.049) ( 0.05, 0.00, 0.04) 247: angle ( 0.198, -0.177, -0.044) ( 0.210, -0.166, -0.033) ( 0.22, 0.20, 0.05) 247: torsion ( -0.000, 0.004, -0.001) ( 0.000, 0.004, -0.002) ( 0.00, 0.00, 0.00) 247: vdw ( 5.883, 1.786, -3.123) ( 5.883, 1.786, -3.122) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 ( 17.766, 85.074, -3.307) ( 17.818, 85.129, -3.256) ( 0.29, 0.06, 1.52) 247: bond ( 31.918, 90.924, -0.196) ( 31.958, 90.967, -0.157) ( 0.13, 0.05, 0.78) 247: angle ( -0.248, -0.340, -0.003) ( -0.237, -0.328, 0.008) ( 0.28, 0.38, 0.00) 247: torsion ( 0.004, -0.001, 0.009) ( 0.004, -0.001, 0.009) ( 0.00, 0.00, 0.00) 247: vdw (-13.908, -5.509, -3.117) (-13.907, -5.509, -3.117) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 ( 17.700, -39.682, -75.828) ( 17.751, -39.631, -75.775) ( 0.29, 0.13, 0.07) 247: bond ( 32.121, -45.510, -79.026) ( 32.161, -45.470, -78.984) ( 0.12, 0.09, 0.05) 247: angle ( -0.358, 0.352, -0.032) ( -0.347, 0.363, -0.021) ( 0.40, 0.38, 0.03) 247: torsion ( -0.001, 0.004, -0.002) ( -0.001, 0.004, -0.002) ( 0.00, 0.00, 0.00) 247: vdw (-14.062, 5.472, 3.232) (-14.062, 5.473, 3.232) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-44.578, 218.066, 0.111) (-44.571, 218.092, 0.116) ( 0.02, 0.01, 0.05) 247: bond (-74.014, 208.993, -0.001) (-74.010, 209.018, 0.000) ( 0.01, 0.01, 0.00) 247: angle ( -0.340, -0.120, -0.061) ( -0.338, -0.120, -0.057) ( 0.09, 0.00, 0.02) 247: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 247: vdw ( 29.776, 9.193, 0.174) ( 29.777, 9.193, 0.174) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-74.306, -104.570, 181.478) (-74.299, -104.561, 181.498) ( 0.01, 0.01, 0.01) 247: bond (-73.876, -104.552, 181.024) (-73.872, -104.545, 181.043) ( 0.01, 0.01, 0.01) 247: angle ( 0.043, 0.173, 0.119) ( 0.046, 0.176, 0.120) ( 0.01, 0.05, 0.01) 247: torsion ( -0.000, 0.002, 0.001) ( 0.000, 0.002, 0.001) ( 0.00, 0.00, 0.00) 247: vdw ( -0.473, -0.193, 0.334) ( -0.473, -0.193, 0.334) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-43.647, -109.104, -189.246) (-43.639, -109.094, -189.226) ( 0.02, 0.01, 0.01) 247: bond (-73.841, -104.519, -181.111) (-73.837, -104.512, -181.092) ( 0.01, 0.01, 0.01) 247: angle ( 0.080, 0.216, -0.161) ( 0.083, 0.219, -0.160) ( 0.02, 0.06, 0.02) 247: torsion ( -0.000, -0.003, 0.002) ( 0.000, -0.003, 0.002) ( 0.00, 0.00, 0.00) 247: vdw ( 30.115, -4.798, -7.975) ( 30.116, -4.798, -7.975) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (221.220, -6.123, -3.930) (221.248, -6.119, -3.925) ( 0.01, 0.07, 0.12) 247: bond (221.839, -0.001, -0.001) (221.867, 0.000, 0.000) ( 0.01, 0.00, 0.00) 247: angle ( -0.000, 0.445, -0.090) ( 0.000, 0.448, -0.086) ( 0.00, 0.13, 0.03) 247: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 247: vdw ( -0.619, -6.567, -3.838) ( -0.619, -6.567, -3.838) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (-82.802, 99.667, 177.060) (-82.795, 99.677, 177.080) ( 0.01, 0.01, 0.01) 247: bond (-73.876, 104.538, 181.024) (-73.872, 104.545, 181.043) ( 0.01, 0.01, 0.01) 247: angle ( 0.231, -0.092, 0.146) ( 0.235, -0.090, 0.148) ( 0.07, 0.02, 0.02) 247: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -9.158, -4.779, -4.111) ( -9.158, -4.778, -4.111) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: angle ( 19.085, -3.007, 11.912) ( 19.087, -3.005, 11.913) ( 0.01, 0.07, 0.01) 246: torsion ( 3.429, -0.923, 2.328) ( 3.429, -0.923, 2.328) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.595, 4.208, -8.007) (-11.595, 4.208, -8.007) ( 0.00, 0.00, 0.00) 246: electro ( 0.037, -0.319, 0.167) ( 0.037, -0.319, 0.167) ( 0.00, 0.00, 0.00) 246: 35 ( -0.153, 2.884, 15.147) ( -0.149, 2.888, 15.159) ( 0.06, 0.12, 0.08) 246: bond ( -5.651, 5.533, 15.742) ( -5.650, 5.534, 15.753) ( 0.03, 0.03, 0.07) 246: angle ( 8.976, -0.225, 3.298) ( 8.979, -0.223, 3.298) ( 0.03, 0.04, 0.01) 246: torsion ( 0.041, -3.843, 1.365) ( 0.041, -3.843, 1.365) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.628, 1.379, -5.426) ( -3.628, 1.379, -5.426) ( 0.01, 0.00, 0.00) 246: electro ( 0.109, 0.040, 0.169) ( 0.109, 0.040, 0.169) ( 0.00, 0.00, 0.00) 246: 36 ( 5.573, -10.443, 1.601) ( 5.576, -10.429, 1.603) ( 0.06, 0.13, 0.16) 246: bond ( 2.447, -12.323, 1.178) ( 2.448, -12.309, 1.178) ( 0.02, 0.11, 0.02) 246: angle ( 9.835, 2.579, 6.502) ( 9.837, 2.579, 6.504) ( 0.02, 0.01, 0.03) 246: torsion ( 1.139, 0.057, -1.770) ( 1.139, 0.057, -1.770) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -7.878, -0.677, -4.353) ( -7.878, -0.677, -4.353) ( 0.00, 0.00, 0.00) 246: electro ( 0.030, -0.079, 0.042) ( 0.030, -0.079, 0.042) ( 0.00, 0.00, 0.00) 246: 37 ( 2.702, 11.065, -14.075) ( 2.706, 11.068, -14.063) ( 0.15, 0.02, 0.09) 246: bond ( 5.434, -1.965, -15.059) ( 5.436, -1.965, -15.047) ( 0.03, 0.01, 0.08) 246: angle ( -6.922, 9.749, -3.773) ( -6.920, 9.751, -3.773) ( 0.03, 0.02, 0.01) 246: torsion ( -1.385, 6.532, -1.353) ( -1.385, 6.532, -1.353) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.021, -3.169, 6.271) ( 6.021, -3.169, 6.271) ( 0.00, 0.00, 0.00) 246: electro ( -0.447, -0.082, -0.161) ( -0.447, -0.082, -0.161) ( 0.00, 0.00, 0.00) 246: 38 ( 6.424, 19.193, 1.053) ( 6.427, 19.207, 1.056) ( 0.05, 0.07, 0.22) 246: bond ( -3.922, 19.838, 1.549) ( -3.921, 19.851, 1.549) ( 0.02, 0.07, 0.01) 246: angle ( 18.258, 4.139, -6.820) ( 18.260, 4.139, -6.818) ( 0.01, 0.00, 0.03) 246: torsion ( -1.009, -0.621, 5.406) ( -1.009, -0.621, 5.406) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.486, -4.338, 0.616) ( -6.486, -4.338, 0.616) ( 0.01, 0.00, 0.00) 246: electro ( -0.416, 0.175, 0.302) ( -0.416, 0.175, 0.302) ( 0.00, 0.00, 0.00) 246: 39 ( 2.389, 11.625, 2.946) ( 2.393, 11.639, 2.948) ( 0.16, 0.12, 0.06) 246: bond ( -0.674, 12.590, -2.228) ( -0.674, 12.604, -2.228) ( 0.01, 0.11, 0.02) 246: angle ( -3.946, -0.319, -0.610) ( -3.943, -0.319, -0.610) ( 0.08, 0.00, 0.00) 246: torsion ( -0.192, 0.884, 5.056) ( -0.192, 0.884, 5.057) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.973, -1.258, 0.526) ( 6.973, -1.258, 0.526) ( 0.00, 0.00, 0.00) 246: electro ( 0.229, -0.271, 0.203) ( 0.229, -0.271, 0.203) ( 0.00, 0.00, 0.00) 246: 40 ( 0.317, 6.239, -12.048) ( 0.323, 6.243, -12.038) ( 0.18, 0.06, 0.08) 246: bond ( -6.745, 3.732, -10.241) ( -6.741, 3.733, -10.232) ( 0.06, 0.03, 0.09) 246: angle ( 4.852, 4.160, -1.680) ( 4.853, 4.163, -1.679) ( 0.03, 0.06, 0.04) 246: torsion ( 2.807, 2.075, -1.093) ( 2.807, 2.075, -1.093) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (-82.262, 92.018, -179.835) (-82.254, 92.027, -179.815) ( 0.01, 0.01, 0.01) 247: bond (-73.757, 104.367, -180.905) (-73.753, 104.374, -180.886) ( 0.01, 0.01, 0.01) 247: angle ( 0.291, -0.136, -0.198) ( 0.295, -0.133, -0.197) ( 0.09, 0.03, 0.02) 247: torsion ( 0.003, -0.001, -0.002) ( 0.003, -0.001, -0.002) ( 0.00, 0.00, 0.00) 247: vdw ( -8.798, -12.213, 1.270) ( -8.798, -12.212, 1.270) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (221.224, 6.299, 3.345) (221.252, 6.304, 3.350) ( 0.01, 0.08, 0.13) 247: bond (221.840, -0.059, -0.118) (221.868, -0.058, -0.117) ( 0.01, 0.01, 0.01) 247: angle ( -0.000, -0.255, -0.307) ( -0.000, -0.251, -0.304) ( 0.00, 0.09, 0.10) 247: torsion ( -0.000, 0.003, -0.002) ( -0.000, 0.003, -0.002) ( 0.00, 0.00, 0.00) 247: vdw ( -0.616, 6.610, 3.772) ( -0.616, 6.610, 3.772) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-82.670, 109.687, -169.760) (-82.663, 109.697, -169.740) ( 0.01, 0.01, 0.01) 247: bond (-73.962, 104.530, -181.062) (-73.958, 104.537, -181.043) ( 0.01, 0.01, 0.01) 247: angle ( 0.196, 0.175, 0.020) ( 0.200, 0.178, 0.021) ( 0.06, 0.05, 0.00) 247: torsion ( -0.004, -0.003, 0.000) ( -0.004, -0.002, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -8.901, 4.984, 11.282) ( -8.901, 4.984, 11.282) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (-82.957, -203.268, 2.436) (-82.949, -203.243, 2.441) ( 0.01, 0.01, 0.17) 247: bond (-73.956, -209.192, 0.116) (-73.952, -209.167, 0.117) ( 0.01, 0.01, 0.01) 247: angle ( 0.236, -0.085, 0.219) ( 0.240, -0.085, 0.222) ( 0.08, 0.00, 0.07) 247: torsion ( 0.006, -0.002, 0.004) ( 0.006, -0.002, 0.004) ( 0.00, 0.00, 0.00) 247: vdw ( -9.243, 6.011, 2.098) ( -9.243, 6.012, 2.098) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 10 # gradients 247: ok 11 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-352.758, 498.355, -863.403) (-352.737, 498.374, -863.393) ( 0.01, 0.00, 0.00) 247: bond (-352.351, 498.577, -863.775) (-352.336, 498.590, -863.772) ( 0.00, 0.00, 0.00) 247: angle ( -0.390, -0.216, 0.386) ( -0.384, -0.210, 0.392) ( 0.22, 0.13, 0.25) 247: torsion ( -0.018, -0.006, -0.014) ( -0.017, -0.006, -0.013) ( 0.00, 0.00, 0.00) 247: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (1285.827, 1.609, -3.175) (1285.867, 1.655, -3.129) ( 0.00, 2.87, 1.44) 247: bond (1279.745, 0.004, 0.014) (1279.774, 0.040, 0.049) ( 0.00, 0.02, 0.05) 247: angle ( 0.198, -0.189, -0.064) ( 0.210, -0.178, -0.053) ( 0.22, 0.21, 0.07) 247: torsion ( -0.000, 0.008, -0.003) ( 0.000, 0.008, -0.003) ( 0.00, 0.00, 0.00) 247: vdw ( 5.883, 1.786, -3.123) ( 5.883, 1.786, -3.122) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (-441.622, -1212.197, -3.313) (-441.575, -1212.156, -3.266) ( 0.01, 0.00, 1.39) 247: bond (-427.484, -1206.342, -0.192) (-427.450, -1206.312, -0.157) ( 0.01, 0.00, 0.67) 247: angle ( -0.237, -0.343, -0.023) ( -0.226, -0.332, -0.012) ( 0.27, 0.39, 0.02) 247: torsion ( 0.008, -0.003, 0.019) ( 0.008, -0.003, 0.019) ( 0.00, 0.00, 0.00) 247: vdw (-13.908, -5.509, -3.117) (-13.907, -5.509, -3.117) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-440.935, 609.305, 1047.967) (-440.889, 609.350, 1048.009) ( 0.01, 0.01, 0.00) 247: bond (-426.503, 603.459, 1044.784) (-426.468, 603.492, 1044.815) ( 0.01, 0.01, 0.00) 247: angle ( -0.369, 0.367, -0.045) ( -0.358, 0.378, -0.034) ( 0.42, 0.40, 0.05) 247: torsion ( -0.002, 0.007, -0.005) ( -0.001, 0.007, -0.005) ( 0.00, 0.00, 0.00) 247: vdw (-14.062, 5.472, 3.232) (-14.062, 5.473, 3.232) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-44.578, 218.066, 0.111) (-44.571, 218.092, 0.115) ( 0.02, 0.01, 0.05) 247: bond (-74.014, 208.993, -0.001) (-74.010, 209.018, 0.000) ( 0.01, 0.01, 0.00) 247: angle ( -0.340, -0.120, -0.061) ( -0.338, -0.120, -0.057) ( 0.09, 0.00, 0.02) 247: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 247: vdw ( 29.776, 9.193, 0.174) ( 29.777, 9.193, 0.174) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-74.306, -104.569, 181.479) (-74.299, -104.559, 181.499) ( 0.01, 0.01, 0.01) 247: bond (-73.876, -104.552, 181.024) (-73.872, -104.545, 181.043) ( 0.01, 0.01, 0.01) 247: angle ( 0.043, 0.173, 0.119) ( 0.046, 0.176, 0.120) ( 0.01, 0.05, 0.01) 247: torsion ( -0.000, 0.003, 0.002) ( 0.000, 0.003, 0.002) ( 0.00, 0.00, 0.00) 247: vdw ( -0.473, -0.193, 0.334) ( -0.473, -0.193, 0.334) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-43.647, -109.106, -189.244) (-43.639, -109.096, -189.224) ( 0.02, 0.01, 0.01) 247: bond (-73.841, -104.519, -181.111) (-73.837, -104.512, -181.092) ( 0.01, 0.01, 0.01) 247: angle ( 0.080, 0.216, -0.161) ( 0.083, 0.219, -0.160) ( 0.02, 0.06, 0.02) 247: torsion ( -0.000, -0.005, 0.003) ( 0.000, -0.005, 0.003) ( 0.00, 0.00, 0.00) 247: vdw ( 30.115, -4.798, -7.975) ( 30.116, -4.798, -7.975) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (221.220, -6.123, -3.930) (221.248, -6.119, -3.925) ( 0.01, 0.07, 0.13) 247: bond (221.839, -0.001, -0.001) (221.867, 0.000, 0.000) ( 0.01, 0.00, 0.00) 247: angle ( -0.000, 0.445, -0.090) ( 0.000, 0.448, -0.086) ( 0.00, 0.13, 0.03) 247: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 247: vdw ( -0.619, -6.567, -3.838) ( -0.619, -6.567, -3.838) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (-82.802, 99.667, 177.060) (-82.795, 99.677, 177.080) ( 0.01, 0.01, 0.01) 247: bond (-73.876, 104.538, 181.024) (-73.872, 104.545, 181.043) ( 0.01, 0.01, 0.01) 247: angle ( 0.231, -0.092, 0.146) ( 0.235, -0.090, 0.148) ( 0.07, 0.02, 0.02) 247: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -9.158, -4.779, -4.111) ( -9.158, -4.778, -4.111) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (-82.259, 92.017, -179.837) (-82.251, 92.026, -179.817) ( 0.01, 0.01, 0.01) 247: bond (-73.757, 104.367, -180.905) (-73.753, 104.374, -180.886) ( 0.01, 0.01, 0.01) 247: angle ( 0.291, -0.136, -0.198) ( 0.295, -0.133, -0.197) ( 0.09, 0.03, 0.02) 247: torsion ( 0.006, -0.002, -0.003) ( 0.006, -0.002, -0.003) ( 0.00, 0.00, 0.00) 247: vdw ( -8.798, -12.213, 1.270) ( -8.798, -12.212, 1.270) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (221.224, 6.302, 3.343) (221.252, 6.307, 3.348) ( 0.01, 0.08, 0.13) 247: bond (221.840, -0.059, -0.118) (221.868, -0.058, -0.117) ( 0.01, 0.01, 0.01) 247: angle ( -0.000, -0.255, -0.307) ( -0.000, -0.251, -0.304) ( 0.00, 0.09, 0.10) 246: vdw ( -0.707, -3.828, 0.904) ( -0.707, -3.828, 0.904) ( 0.00, 0.00, 0.00) 246: electro ( 0.110, 0.099, 0.061) ( 0.110, 0.099, 0.061) ( 0.00, 0.00, 0.00) 246: 41 ( -2.273, 10.453, 6.209) ( -2.268, 10.457, 6.219) ( 0.24, 0.04, 0.16) 246: bond ( -5.788, 3.588, 9.319) ( -5.784, 3.590, 9.329) ( 0.06, 0.04, 0.10) 246: angle ( 8.488, 16.065, -0.919) ( 8.490, 16.067, -0.919) ( 0.02, 0.01, 0.07) 246: torsion ( -3.730, -1.289, -1.817) ( -3.730, -1.289, -1.817) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.346, -7.951, -0.446) ( -1.346, -7.950, -0.446) ( 0.00, 0.00, 0.00) 246: electro ( 0.103, 0.039, 0.071) ( 0.103, 0.039, 0.071) ( 0.00, 0.00, 0.00) 246: 42 ( -3.377, 4.884, -9.057) ( -3.374, 4.887, -9.044) ( 0.09, 0.05, 0.15) 246: bond ( 1.963, 0.521, -10.197) ( 1.964, 0.521, -10.183) ( 0.03, 0.00, 0.13) 246: angle ( -9.996, 8.198, -1.508) ( -9.994, 8.200, -1.507) ( 0.02, 0.03, 0.01) 246: torsion ( -0.144, 6.172, 0.288) ( -0.145, 6.172, 0.288) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.858, -9.999, 2.352) ( 4.858, -9.999, 2.352) ( 0.00, 0.00, 0.00) 246: electro ( -0.058, -0.008, 0.007) ( -0.058, -0.008, 0.007) ( 0.00, 0.00, 0.00) 246: 43 ( -3.105, 8.144, -3.972) ( -3.101, 8.156, -3.969) ( 0.14, 0.14, 0.08) 246: bond ( -3.568, 8.130, 2.505) ( -3.565, 8.141, 2.507) ( 0.06, 0.14, 0.04) 246: angle ( 1.193, 4.827, -13.981) ( 1.195, 4.828, -13.979) ( 0.17, 0.01, 0.02) 246: torsion ( -2.182, -2.621, 5.410) ( -2.182, -2.621, 5.410) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.453, -2.137, 2.022) ( 1.453, -2.137, 2.022) ( 0.01, 0.00, 0.00) 246: electro ( -0.001, -0.054, 0.073) ( -0.001, -0.054, 0.073) ( 0.00, 0.00, 0.00) 246: 44 (-10.784, 4.905, -2.290) (-10.780, 4.909, -2.279) ( 0.03, 0.09, 0.48) 246: bond ( -1.245, -1.494, -3.293) ( -1.244, -1.492, -3.283) ( 0.12, 0.15, 0.32) 246: angle ( -7.495, 16.263, -4.553) ( -7.493, 16.265, -4.552) ( 0.03, 0.01, 0.01) 246: torsion ( -3.199, -2.788, 2.479) ( -3.199, -2.788, 2.479) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.131, -7.171, 3.119) ( 1.131, -7.171, 3.119) ( 0.01, 0.00, 0.00) 246: electro ( 0.025, 0.096, -0.043) ( 0.025, 0.096, -0.043) ( 0.00, 0.00, 0.00) 246: 45 ( -5.582, 7.292, 6.953) ( -5.572, 7.295, 6.958) ( 0.18, 0.05, 0.08) 246: bond (-10.157, 4.382, 6.381) (-10.148, 4.383, 6.385) ( 0.09, 0.04, 0.06) 246: angle ( -1.443, -0.968, -1.632) ( -1.443, -0.966, -1.630) ( 0.06, 0.20, 0.11) 246: torsion ( 2.298, 4.300, 0.702) ( 2.298, 4.299, 0.701) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.614, -0.509, 1.475) ( 3.614, -0.509, 1.475) ( 0.00, 0.01, 0.00) 246: electro ( 0.107, 0.087, 0.027) ( 0.107, 0.087, 0.027) ( 0.00, 0.00, 0.00) 246: 46 ( 1.502, -2.484, 22.995) ( 1.505, -2.479, 23.008) ( 0.19, 0.19, 0.06) 246: bond ( -3.493, 9.127, 26.544) ( -3.492, 9.129, 26.556) ( 0.01, 0.02, 0.05) 246: angle ( -3.216, 8.998, -3.517) ( -3.214, 9.000, -3.516) ( 0.07, 0.03, 0.01) 246: torsion ( 1.122, -6.958, 2.539) ( 1.122, -6.958, 2.539) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.029, -13.585, -2.478) ( 7.029, -13.584, -2.478) ( 0.00, 0.01, 0.00) 246: electro ( 0.060, -0.066, -0.093) ( 0.060, -0.066, -0.093) ( 0.00, 0.00, 0.00) 247: torsion ( -0.000, 0.007, -0.004) ( -0.000, 0.007, -0.004) ( 0.00, 0.00, 0.00) 247: vdw ( -0.616, 6.610, 3.772) ( -0.616, 6.610, 3.772) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-82.674, 109.685, -169.760) (-82.667, 109.695, -169.740) ( 0.01, 0.01, 0.01) 247: bond (-73.962, 104.530, -181.062) (-73.958, 104.537, -181.043) ( 0.01, 0.01, 0.01) 247: angle ( 0.196, 0.175, 0.020) ( 0.200, 0.178, 0.021) ( 0.06, 0.05, 0.00) 247: torsion ( -0.007, -0.005, 0.000) ( -0.007, -0.005, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -8.901, 4.984, 11.282) ( -8.901, 4.984, 11.282) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (-82.951, -203.270, 2.440) (-82.943, -203.245, 2.444) ( 0.01, 0.01, 0.17) 247: bond (-73.956, -209.192, 0.116) (-73.952, -209.167, 0.117) ( 0.01, 0.01, 0.01) 247: angle ( 0.236, -0.085, 0.219) ( 0.240, -0.085, 0.222) ( 0.08, 0.00, 0.07) 247: torsion ( 0.012, -0.004, 0.007) ( 0.012, -0.004, 0.007) ( 0.00, 0.00, 0.00) 247: vdw ( -9.243, 6.011, 2.098) ( -9.243, 6.012, 2.098) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 12 # gradients 247: ok 13 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-37.135, -25.583, -5.155) (-37.065, -25.493, -5.141) ( 0.19, 0.35, 0.27) 247: bond (-39.393, -37.584, -9.117) (-39.335, -37.506, -9.108) ( 0.15, 0.21, 0.11) 247: angle ( 7.381, 12.289, 3.318) ( 7.394, 12.300, 3.319) ( 0.17, 0.09, 0.04) 247: torsion ( 0.061, -0.144, 0.321) ( 0.061, -0.144, 0.324) ( 0.00, 0.00, 0.09) 247: vdw ( -5.824, 0.116, 0.584) ( -5.824, 0.116, 0.584) ( 0.00, 0.00, 0.00) 247: electro ( 0.639, -0.259, -0.260) ( 0.639, -0.259, -0.260) ( 0.00, 0.00, 0.00) 247: 2 ( 38.411, 37.278, 9.927) ( 38.505, 37.348, 9.938) ( 0.24, 0.19, 0.11) 247: bond ( 31.945, 49.472, 14.218) ( 32.026, 49.531, 14.224) ( 0.25, 0.12, 0.04) 247: angle ( 8.741, -16.613, -6.348) ( 8.754, -16.602, -6.347) ( 0.14, 0.07, 0.02) 247: torsion ( -0.021, -0.066, 0.306) ( -0.021, -0.066, 0.309) ( 0.00, 0.00, 0.09) 247: vdw ( -2.211, 5.417, 2.288) ( -2.211, 5.417, 2.288) ( 0.00, 0.00, 0.00) 247: electro ( -0.043, -0.931, -0.537) ( -0.043, -0.931, -0.537) ( 0.00, 0.00, 0.00) 247: 3 ( 37.676, 9.956, 11.493) ( 37.770, 10.028, 11.506) ( 0.25, 0.72, 0.11) 247: bond ( 22.225, -39.741, -16.148) ( 22.304, -39.682, -16.140) ( 0.36, 0.15, 0.05) 247: angle ( 15.646, 49.327, 16.801) ( 15.661, 49.339, 16.803) ( 0.09, 0.02, 0.01) 247: torsion ( 0.640, -4.608, 12.311) ( 0.640, -4.608, 12.314) ( 0.00, 0.01, 0.02) 247: vdw ( -0.175, 6.511, -0.244) ( -0.175, 6.511, -0.244) ( 0.00, 0.00, 0.00) 247: electro ( -0.660, -1.533, -1.228) ( -0.660, -1.533, -1.228) ( 0.00, 0.00, 0.00) 247: 4 (-82.568, 2.725, 38.198) (-82.476, 2.823, 38.217) ( 0.11, 3.60, 0.05) 247: bond (-63.591, 43.917, 19.919) (-63.515, 43.994, 19.930) ( 0.12, 0.18, 0.05) 247: angle (-24.738, -39.856, 21.223) (-24.722, -39.835, 21.228) ( 0.07, 0.05, 0.03) 247: torsion ( -0.219, -0.406, -1.055) ( -0.219, -0.405, -1.052) ( 0.00, 0.03, 0.30) 247: vdw ( 5.980, -0.930, -1.889) ( 5.980, -0.930, -1.889) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-79.362, -10.491, 1.322) (-79.266, -10.421, 1.335) ( 0.12, 0.67, 0.93) 247: bond (-52.026, 2.020, 6.986) (-51.946, 2.079, 6.994) ( 0.16, 2.88, 0.11) 247: angle (-28.249, -8.322, -0.594) (-28.234, -8.310, -0.592) ( 0.05, 0.14, 0.10) 246: 47 ( 12.368, -4.506, -9.860) ( 12.376, -4.499, -9.853) ( 0.06, 0.14, 0.07) 246: bond ( 3.308, -3.151, -3.452) ( 3.313, -3.147, -3.447) ( 0.14, 0.14, 0.15) 246: angle ( -8.806, -11.034, 1.609) ( -8.804, -11.032, 1.611) ( 0.02, 0.02, 0.09) 246: torsion ( 0.935, -1.718, 2.467) ( 0.935, -1.718, 2.467) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 17.166, 11.473, -10.633) ( 17.167, 11.474, -10.632) ( 0.00, 0.00, 0.00) 246: electro ( -0.235, -0.076, 0.149) ( -0.235, -0.076, 0.149) ( 0.00, 0.00, 0.00) 246: 48 ( -8.697, 6.010, -3.440) ( -8.690, 6.018, -3.435) ( 0.08, 0.12, 0.15) 246: bond ( -5.745, 6.100, 4.627) ( -5.740, 6.106, 4.630) ( 0.09, 0.09, 0.07) 246: angle ( -1.120, 0.588, -2.166) ( -1.118, 0.590, -2.164) ( 0.15, 0.08, 0.07) 246: torsion ( -2.382, 2.622, -6.411) ( -2.382, 2.622, -6.411) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.557, -3.149, 0.414) ( 0.557, -3.149, 0.414) ( 0.01, 0.00, 0.00) 246: electro ( -0.007, -0.151, 0.096) ( -0.007, -0.151, 0.096) ( 0.00, 0.00, 0.00) 246: 49 ( 4.913, -4.170, -18.999) ( 4.916, -4.167, -18.986) ( 0.05, 0.08, 0.07) 246: bond ( -1.163, 3.976, -17.396) ( -1.163, 3.976, -17.383) ( 0.01, 0.02, 0.08) 246: angle ( -1.866, -8.632, -1.849) ( -1.864, -8.630, -1.849) ( 0.13, 0.03, 0.01) 246: torsion ( 4.281, -3.420, -1.069) ( 4.281, -3.420, -1.069) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.684, 4.030, 1.201) ( 3.684, 4.030, 1.201) ( 0.00, 0.01, 0.00) 246: electro ( -0.022, -0.124, 0.114) ( -0.022, -0.124, 0.114) ( 0.00, 0.00, 0.00) 246: 50 ( -2.928, -5.591, -15.480) ( -2.923, -5.584, -15.471) ( 0.15, 0.12, 0.05) 246: bond ( 5.810, -8.644, -10.914) ( 5.813, -8.639, -10.907) ( 0.04, 0.05, 0.07) 246: angle ( -1.237, 2.617, -2.734) ( -1.235, 2.619, -2.733) ( 0.17, 0.06, 0.04) 246: torsion ( -3.418, 2.575, -3.861) ( -3.418, 2.575, -3.861) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.067, -2.271, 2.010) ( -4.067, -2.271, 2.010) ( 0.00, 0.01, 0.00) 246: electro ( -0.016, 0.132, 0.019) ( -0.016, 0.132, 0.019) ( 0.00, 0.00, 0.00) 246: 51 ( 19.616, -0.297, 9.656) ( 19.620, -0.292, 9.667) ( 0.02, 0.13, 0.12) 246: bond ( -1.047, 1.371, -3.118) ( -1.046, 1.373, -3.107) ( 0.12, 0.15, 0.35) 246: angle (-19.284, -11.124, 1.573) (-19.282, -11.122, 1.574) ( 0.01, 0.02, 0.03) 246: torsion ( 4.242, -4.702, -3.506) ( 4.242, -4.702, -3.506) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 35.747, 14.123, 14.700) ( 35.748, 14.124, 14.700) ( 0.00, 0.00, 0.00) 246: electro ( -0.042, 0.035, 0.006) ( -0.042, 0.035, 0.006) ( 0.00, 0.00, 0.00) 246: 52 (-13.704, 6.920, -1.069) (-13.701, 6.923, -1.057) ( 0.03, 0.05, 1.14) 246: bond ( -3.332, 2.481, -9.253) ( -3.330, 2.482, -9.241) ( 0.05, 0.04, 0.13) 246: angle ( -2.775, 9.142, 3.455) ( -2.773, 9.144, 3.455) ( 0.08, 0.02, 0.01) 246: torsion ( -4.300, 1.076, 1.838) ( -4.300, 1.076, 1.838) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.362, -5.634, 2.789) ( -3.362, -5.634, 2.789) ( 0.00, 0.00, 0.00) 246: electro ( 0.065, -0.146, 0.101) ( 0.065, -0.146, 0.101) ( 0.00, 0.00, 0.00) 246: 53 ( -6.772, 4.115, 19.114) ( -6.767, 4.123, 19.121) ( 0.07, 0.20, 0.04) 246: bond ( -7.768, 13.770, 12.651) ( -7.765, 13.777, 12.656) ( 0.03, 0.05, 0.04) 246: angle ( -6.357, -8.669, 5.534) ( -6.355, -8.668, 5.535) ( 0.03, 0.02, 0.02) 246: torsion ( 3.944, 1.224, 1.087) ( 3.944, 1.224, 1.087) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.332, -2.032, -0.117) ( 3.332, -2.032, -0.117) ( 0.00, 0.01, 0.00) 246: electro ( 0.077, -0.179, -0.041) ( 0.077, -0.179, -0.041) ( 0.00, 0.00, 0.00) 246: 54 ( -9.251, -2.073, 15.373) ( -9.249, -2.071, 15.387) ( 0.03, 0.14, 0.09) 246: bond ( -1.729, 0.440, 19.656) ( -1.729, 0.440, 19.670) ( 0.01, 0.00, 0.07) 246: angle ( -0.508, -2.205, 0.005) ( -0.506, -2.203, 0.005) ( 0.12, 0.12, 0.00) 246: torsion ( -7.215, -1.283, -0.605) ( -7.215, -1.283, -0.605) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.152, 0.997, -3.350) ( 0.152, 0.997, -3.350) ( 0.00, 0.01, 0.00) 246: electro ( 0.049, -0.022, -0.333) ( 0.049, -0.022, -0.333) ( 0.00, 0.00, 0.00) 246: 55 ( 2.696, -3.472, -0.969) ( 2.709, -3.469, -0.965) ( 0.49, 0.08, 0.30) 246: bond ( -0.003, 0.001, 0.002) ( 0.010, 0.001, 0.003) ( 0.00, 0.00, 0.00) 246: angle ( 0.968, -19.998, 2.649) ( 0.968, -19.996, 2.651) ( 0.02, 0.01, 0.07) 246: torsion ( 0.546, 0.938, -2.130) ( 0.546, 0.938, -2.130) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.265, 15.526, -1.506) ( 1.265, 15.526, -1.506) ( 0.00, 0.00, 0.00) 246: electro ( -0.079, 0.063, 0.017) ( -0.079, 0.063, 0.017) ( 0.00, 0.00, 0.00) 246: 56 ( -7.342, -13.590, -2.119) ( -7.340, -13.587, -2.105) ( 0.03, 0.02, 0.64) 246: bond ( -0.228, -1.518, -7.046) ( -0.228, -1.517, -7.032) ( 0.00, 0.04, 0.19) 246: angle ( 1.375, -14.093, 2.995) ( 1.377, -14.091, 2.995) ( 0.16, 0.01, 0.00) 246: torsion ( -2.507, -1.771, 0.463) ( -2.507, -1.771, 0.463) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.863, 3.701, 1.444) ( -5.863, 3.701, 1.444) ( 0.00, 0.00, 0.00) 246: electro ( -0.119, 0.091, 0.025) ( -0.119, 0.091, 0.025) ( 0.00, 0.00, 0.00) 246: 57 ( -3.437, -13.153, 10.542) ( -3.433, -13.143, 10.547) ( 0.12, 0.07, 0.05) 246: bond ( -7.015, -14.859, 9.112) ( -7.013, -14.850, 9.116) ( 0.03, 0.06, 0.04) 246: angle ( 5.572, -2.900, -0.436) ( 5.574, -2.899, -0.434) ( 0.03, 0.03, 0.07) 246: torsion ( 1.664, 0.516, 2.120) ( 1.664, 0.516, 2.120) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.550, 3.955, -0.253) ( -3.550, 3.955, -0.253) ( 0.00, 0.00, 0.00) 246: electro ( -0.108, 0.135, -0.002) ( -0.108, 0.135, -0.002) ( 0.00, 0.00, 0.00) 246: 58 ( -8.967, -0.985, -4.497) ( -8.961, -0.975, -4.494) ( 0.07, 0.96, 0.06) 246: bond ( -3.054, 4.137, 0.969) ( -3.049, 4.146, 0.970) ( 0.16, 0.21, 0.05) 246: angle (-10.621, -6.790, -4.360) (-10.619, -6.789, -4.358) ( 0.01, 0.01, 0.05) 246: torsion ( 0.462, 0.660, -1.369) ( 0.462, 0.660, -1.369) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.078, 1.000, 0.239) ( 4.078, 1.001, 0.239) ( 0.00, 0.00, 0.00) 246: electro ( 0.167, 0.007, 0.023) ( 0.167, 0.007, 0.023) ( 0.00, 0.00, 0.00) 246: 59 ( -9.358, -11.621, 0.696) ( -9.353, -11.611, 0.700) ( 0.05, 0.08, 0.29) 246: bond ( -6.959, -12.644, 6.347) ( -6.957, -12.635, 6.349) ( 0.04, 0.07, 0.04) 246: angle ( -7.398, 0.405, -7.299) ( -7.396, 0.405, -7.297) ( 0.02, 0.03, 0.02) 246: torsion ( -0.575, 0.888, 1.138) ( -0.575, 0.888, 1.138) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.404, -0.292, 0.487) ( 5.404, -0.292, 0.487) ( 0.00, 0.00, 0.00) 247: torsion ( 0.098, 1.325, -3.983) ( 0.099, 1.325, -3.980) ( 0.00, 0.03, 0.07) 247: vdw ( -0.161, -6.107, -1.169) ( -0.161, -6.107, -1.169) ( 0.00, 0.00, 0.00) 247: electro ( 0.976, 0.593, 0.083) ( 0.976, 0.593, 0.083) ( 0.00, 0.00, 0.00) 247: 6 ( 36.692, -14.717, -9.327) ( 36.783, -14.646, -9.314) ( 0.25, 0.48, 0.14) 247: bond ( 53.347, -12.349, -9.653) ( 53.426, -12.289, -9.645) ( 0.15, 0.48, 0.09) 247: angle (-14.012, 2.744, 2.305) (-13.999, 2.755, 2.306) ( 0.09, 0.41, 0.06) 247: torsion ( -0.010, 0.362, -0.308) ( -0.010, 0.362, -0.305) ( 0.00, 0.01, 0.09) 247: vdw ( -3.247, -5.827, -1.669) ( -3.247, -5.827, -1.669) ( 0.00, 0.00, 0.00) 247: electro ( 0.614, 0.354, -0.001) ( 0.614, 0.354, -0.001) ( 0.00, 0.00, 0.00) 247: 7 (200.889, 4.865, 180.344) (200.967, 4.901, 180.385) ( 0.04, 0.75, 0.02) 247: bond (222.352, 66.628, 140.599) (222.417, 66.649, 140.627) ( 0.03, 0.03, 0.02) 247: angle ( 5.358, 8.587, -17.210) ( 5.370, 8.600, -17.200) ( 0.22, 0.14, 0.06) 247: torsion (-24.205, -77.836, 59.395) (-24.204, -77.834, 59.396) ( 0.00, 0.00, 0.00) 247: vdw ( -0.040, 8.269, -3.213) ( -0.040, 8.269, -3.213) ( 0.00, 0.00, 0.00) 247: electro ( -2.577, -0.783, 0.775) ( -2.577, -0.783, 0.775) ( 0.00, 0.00, 0.00) 247: 8 (-737.337, -58.076, -13.799) (-737.247, -58.047, -13.726) ( 0.01, 0.05, 0.52) 247: bond (-746.916, 5.571, 66.213) (-746.841, 5.590, 66.276) ( 0.01, 0.34, 0.10) 247: angle ( 0.733, -57.566, -37.981) ( 0.748, -57.560, -37.972) ( 1.06, 0.01, 0.02) 247: torsion ( 2.354, 5.244, -42.997) ( 2.354, 5.247, -42.997) ( 0.01, 0.06, 0.00) 247: vdw ( 5.596, -11.059, 1.056) ( 5.596, -11.058, 1.056) ( 0.00, 0.01, 0.00) 247: electro ( 0.896, -0.266, -0.089) ( 0.896, -0.266, -0.089) ( 0.00, 0.00, 0.00) 247: 9 ( 53.979, -50.957, -165.826) ( 53.991, -50.942, -165.779) ( 0.02, 0.03, 0.03) 247: bond ( 56.519, -79.843, -150.792) ( 56.526, -79.830, -150.746) ( 0.01, 0.02, 0.03) 247: angle (-10.922, -2.355, -2.847) (-10.917, -2.355, -2.846) ( 0.04, 0.01, 0.01) 247: torsion ( -3.071, 52.160, -28.774) ( -3.071, 52.160, -28.774) ( 0.00, 0.00, 0.00) 247: vdw ( 11.731, -21.333, 17.254) ( 11.732, -21.332, 17.254) ( 0.00, 0.00, 0.00) 247: electro ( -0.278, 0.414, -0.667) ( -0.278, 0.414, -0.667) ( 0.00, 0.00, 0.00) 247: 10 (902.852, -191.252, -156.971) (902.958, -191.166, -156.961) ( 0.01, 0.05, 0.01) 247: bond (1009.544, -205.757, -159.927) (1009.639, -205.682, -159.922) ( 0.01, 0.04, 0.00) 247: angle (-118.889, 28.667, -37.671) (-118.878, 28.678, -37.668) ( 0.01, 0.04, 0.01) 247: torsion ( 5.313, -17.875, 36.215) ( 5.313, -17.874, 36.217) ( 0.00, 0.00, 0.00) 247: vdw ( 6.885, 3.712, 4.412) ( 6.885, 3.712, 4.412) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (319.105, -323.366, 188.016) (319.191, -323.286, 188.027) ( 0.03, 0.02, 0.01) 247: bond (249.730, -328.174, 79.290) (249.802, -328.108, 79.298) ( 0.03, 0.02, 0.01) 247: angle ( 68.513, 15.709, 114.859) ( 68.526, 15.722, 114.861) ( 0.02, 0.08, 0.00) 247: torsion ( 2.045, -6.876, -5.315) ( 2.045, -6.876, -5.314) ( 0.00, 0.00, 0.03) 247: vdw ( -1.183, -4.025, -0.819) ( -1.183, -4.025, -0.819) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (792.462, 567.885, -81.270) (792.541, 567.969, -81.256) ( 0.01, 0.01, 0.02) 247: bond (843.893, 675.743, -78.173) (843.959, 675.813, -78.163) ( 0.01, 0.01, 0.01) 247: angle (-49.137, -108.267, -6.420) (-49.125, -108.254, -6.418) ( 0.03, 0.01, 0.04) 247: torsion ( -0.622, 0.403, 3.289) ( -0.622, 0.403, 3.291) ( 0.00, 0.00, 0.07) 247: vdw ( -1.673, 0.006, 0.034) ( -1.673, 0.006, 0.034) ( 0.00, 0.00, 0.00) 246: electro ( 0.171, 0.023, 0.023) ( 0.171, 0.023, 0.023) ( 0.00, 0.00, 0.00) 246: 60 ( -3.589, -9.768, -9.617) ( -3.587, -9.766, -9.603) ( 0.07, 0.02, 0.14) 246: bond ( 0.325, -1.894, -13.079) ( 0.325, -1.894, -13.065) ( 0.00, 0.02, 0.11) 246: angle (-10.501, -5.287, 0.505) (-10.499, -5.285, 0.505) ( 0.02, 0.04, 0.00) 246: torsion ( 0.134, -1.812, 0.266) ( 0.134, -1.811, 0.266) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.306, -0.790, 2.628) ( 6.306, -0.790, 2.628) ( 0.00, 0.00, 0.00) 246: electro ( 0.147, 0.015, 0.063) ( 0.147, 0.015, 0.063) ( 0.00, 0.00, 0.00) 246: 61 ( 1.131, -1.661, 5.517) ( 1.143, -1.658, 5.521) ( 1.07, 0.18, 0.07) 246: bond ( 0.790, 0.192, 0.327) ( 0.801, 0.193, 0.329) ( 0.91, 0.01, 0.06) 246: angle ( -1.535, -14.190, 12.056) ( -1.535, -14.188, 12.058) ( 0.03, 0.01, 0.02) 246: torsion ( -1.058, 2.524, 1.095) ( -1.058, 2.524, 1.095) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.958, 9.790, -7.974) ( 2.958, 9.790, -7.974) ( 0.00, 0.00, 0.00) 246: electro ( -0.024, 0.022, 0.013) ( -0.024, 0.022, 0.013) ( 0.00, 0.00, 0.00) 246: 62 (-18.793, -8.916, -2.322) (-18.790, -8.902, -2.319) ( 0.02, 0.16, 0.11) 246: bond ( -0.155, -1.815, 0.061) ( -0.155, -1.801, 0.061) ( 0.00, 0.77, 0.00) 246: angle ( 11.176, -0.415, 16.278) ( 11.178, -0.415, 16.280) ( 0.02, 0.00, 0.01) 246: torsion ( 3.102, -0.284, -0.492) ( 3.102, -0.284, -0.492) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-32.887, -6.407, -18.129) (-32.886, -6.407, -18.129) ( 0.00, 0.00, 0.00) 246: electro ( -0.028, 0.005, -0.039) ( -0.028, 0.005, -0.039) ( 0.00, 0.00, 0.00) 246: 63 ( -9.679, 4.907, 3.945) ( -9.671, 4.911, 3.952) ( 0.08, 0.08, 0.18) 246: bond ( -9.380, 5.378, 8.317) ( -9.373, 5.380, 8.322) ( 0.07, 0.04, 0.06) 246: angle ( 2.019, -0.632, 2.681) ( 2.020, -0.630, 2.682) ( 0.05, 0.11, 0.06) 246: torsion ( -1.826, -2.219, -0.622) ( -1.826, -2.219, -0.622) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.491, 2.299, -6.394) ( -0.491, 2.299, -6.394) ( 0.00, 0.00, 0.00) 246: electro ( -0.001, 0.081, -0.036) ( -0.001, 0.081, -0.036) ( 0.00, 0.00, 0.00) 246: 64 ( 14.765, -3.549, 0.688) ( 14.779, -3.547, 0.692) ( 0.09, 0.07, 0.24) 246: bond ( 5.465, 0.880, -1.324) ( 5.478, 0.880, -1.323) ( 0.24, 0.03, 0.06) 246: angle ( -3.603, -13.053, -23.595) ( -3.602, -13.051, -23.593) ( 0.01, 0.02, 0.01) 246: torsion ( 0.640, -2.270, 1.141) ( 0.640, -2.270, 1.141) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 12.181, 10.982, 24.513) ( 12.181, 10.982, 24.513) ( 0.00, 0.00, 0.00) 246: electro ( 0.082, -0.088, -0.046) ( 0.082, -0.088, -0.046) ( 0.00, 0.00, 0.00) 246: 65 ( 3.892, 10.006, -9.110) ( 3.898, 10.011, -9.101) ( 0.15, 0.04, 0.10) 246: bond ( -2.770, 2.059, -3.865) ( -2.766, 2.061, -3.858) ( 0.15, 0.11, 0.20) 246: angle ( 15.805, -10.041, -16.698) ( 15.807, -10.039, -16.697) ( 0.01, 0.02, 0.01) 246: torsion ( 1.831, 1.886, -0.305) ( 1.831, 1.887, -0.305) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-10.990, 16.110, 11.893) (-10.990, 16.110, 11.894) ( 0.00, 0.00, 0.00) 246: electro ( 0.017, -0.008, -0.136) ( 0.017, -0.008, -0.136) ( 0.00, 0.00, 0.00) 246: 66 ( -9.115, -9.006, -1.471) ( -9.113, -8.992, -1.468) ( 0.03, 0.15, 0.18) 246: bond ( -0.323, -2.331, -0.063) ( -0.323, -2.317, -0.063) ( 0.01, 0.59, 0.00) 246: angle ( 11.074, -1.131, -15.051) ( 11.076, -1.131, -15.049) ( 0.02, 0.00, 0.02) 246: torsion ( -2.233, 0.331, -0.749) ( -2.233, 0.331, -0.749) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-17.663, -5.755, 14.342) (-17.663, -5.755, 14.342) ( 0.00, 0.00, 0.00) 246: electro ( 0.030, -0.120, 0.051) ( 0.030, -0.120, 0.051) ( 0.00, 0.00, 0.00) 246: 67 ( 5.918, -9.153, 3.030) ( 5.921, -9.139, 3.033) ( 0.05, 0.15, 0.08) 246: bond ( 1.178, -11.514, 0.493) ( 1.178, -11.500, 0.493) ( 0.02, 0.12, 0.00) 246: angle ( 6.250, 1.025, 8.968) ( 6.252, 1.025, 8.970) ( 0.04, 0.00, 0.02) 246: torsion ( 0.695, -0.077, -3.453) ( 0.695, -0.077, -3.453) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.325, 1.329, -2.927) ( -2.325, 1.329, -2.927) ( 0.01, 0.00, 0.00) 246: electro ( 0.121, 0.084, -0.051) ( 0.121, 0.084, -0.051) ( 0.00, 0.00, 0.00) 246: 68 ( 0.482, 2.947, 13.576) ( 0.486, 2.950, 13.588) ( 0.18, 0.12, 0.09) 246: bond ( -4.784, 4.778, 14.747) ( -4.782, 4.780, 14.759) ( 0.03, 0.03, 0.08) 246: angle ( 8.501, -1.938, 3.382) ( 8.503, -1.936, 3.382) ( 0.03, 0.10, 0.01) 246: torsion ( 0.482, -4.936, 1.755) ( 0.482, -4.936, 1.755) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.760, 4.943, -6.294) ( -3.759, 4.943, -6.294) ( 0.00, 0.00, 0.00) 246: electro ( 0.042, 0.099, -0.014) ( 0.042, 0.099, -0.014) ( 0.00, 0.00, 0.00) 246: 69 ( 9.153, -3.697, -10.224) ( 9.158, -3.692, -10.214) ( 0.05, 0.15, 0.09) 246: bond ( 0.831, -0.975, -1.503) ( 0.834, -0.971, -1.495) ( 0.21, 0.34, 0.54) 246: angle ( 2.396, -12.562, 9.494) ( 2.397, -12.560, 9.495) ( 0.08, 0.02, 0.01) 246: torsion ( 5.617, -2.100, 4.496) ( 5.617, -2.100, 4.496) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.258, 12.064, -22.714) ( 0.259, 12.064, -22.714) ( 0.02, 0.00, 0.00) 246: electro ( 0.051, -0.125, 0.004) ( 0.051, -0.125, 0.004) ( 0.00, 0.00, 0.00) 246: 70 ( 7.709, -1.420, 13.480) ( 7.716, -1.417, 13.489) ( 0.09, 0.22, 0.07) 246: bond ( 9.230, -2.843, 12.603) ( 9.235, -2.843, 12.611) ( 0.05, 0.02, 0.07) 246: angle ( -0.993, -6.827, -0.813) ( -0.992, -6.825, -0.812) ( 0.15, 0.03, 0.06) 246: torsion ( -3.437, 2.418, 3.061) ( -3.437, 2.418, 3.061) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.924, 5.851, -1.469) ( 2.924, 5.851, -1.469) ( 0.01, 0.00, 0.00) 246: electro ( -0.015, -0.018, 0.098) ( -0.015, -0.018, 0.098) ( 0.00, 0.00, 0.00) 246: 71 ( 15.337, 0.468, -6.953) ( 15.349, 0.472, -6.949) ( 0.08, 0.18, 0.06) 246: bond ( 10.156, 4.115, -3.749) ( 10.167, 4.117, -3.748) ( 0.11, 0.04, 0.04) 246: angle ( -2.895, -13.080, -22.219) ( -2.894, -13.078, -22.217) ( 0.02, 0.01, 0.01) 246: torsion ( 0.311, -0.472, 0.325) ( 0.311, -0.472, 0.325) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.727, 10.056, 18.626) ( 7.727, 10.056, 18.626) ( 0.00, 0.00, 0.00) 246: electro ( 0.039, -0.151, 0.065) ( 0.039, -0.151, 0.065) ( 0.00, 0.00, 0.00) 246: 72 ( -2.716, 3.451, -11.879) ( -2.708, 3.454, -11.870) ( 0.29, 0.08, 0.07) 246: bond ( -5.252, 1.505, -5.857) ( -5.246, 1.506, -5.849) ( 0.12, 0.04, 0.13) 246: angle ( 16.316, -1.564, -15.037) ( 16.317, -1.562, -15.036) ( 0.01, 0.13, 0.01) 246: torsion ( 0.522, 0.865, -0.245) ( 0.522, 0.865, -0.245) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-14.285, 2.813, 9.371) (-14.285, 2.813, 9.371) ( 0.00, 0.00, 0.00) 246: electro ( -0.017, -0.168, -0.111) ( -0.017, -0.168, -0.111) ( 0.00, 0.00, 0.00) 246: 73 ( -1.977, -8.183, -0.263) ( -1.974, -8.169, -0.260) ( 0.12, 0.17, 0.07) 246: bond ( 0.203, -1.906, 0.142) ( 0.203, -1.892, 0.142) ( 0.00, 0.73, 0.00) 246: angle ( 11.906, 0.081, -15.902) ( 11.908, 0.081, -15.899) ( 0.02, 0.00, 0.02) 246: torsion ( -0.518, -0.066, -0.135) ( -0.518, -0.066, -0.135) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-13.619, -6.139, 15.500) (-13.619, -6.139, 15.500) ( 0.00, 0.00, 0.00) 246: electro ( 0.052, -0.154, 0.131) ( 0.052, -0.154, 0.131) ( 0.00, 0.00, 0.00) 246: 74 ( -9.261, 1.471, -4.775) ( -9.256, 1.473, -4.764) ( 0.06, 0.14, 0.21) 246: bond ( -3.300, -2.275, -4.913) ( -3.296, -2.273, -4.904) ( 0.13, 0.09, 0.19) 246: angle ( -0.706, -0.289, 0.607) ( -0.705, -0.289, 0.608) ( 0.08, 0.01, 0.05) 246: torsion ( -2.796, 5.459, -0.652) ( -2.796, 5.459, -0.652) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -2.459, -1.424, 0.183) ( -2.459, -1.424, 0.183) ( 0.00, 0.00, 0.00) 246: ok 22 # gradients 246: ok 23 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (243.435, -129.883, 97.853) (243.468, -129.847, 97.862) ( 0.01, 0.03, 0.01) 246: bond ( 13.714, -161.918, 57.015) ( 13.737, -161.892, 57.019) ( 0.16, 0.02, 0.01) 246: angle (241.825, 42.374, 40.057) (241.835, 42.383, 40.058) ( 0.00, 0.02, 0.00) 246: torsion ( 1.708, -1.592, 0.535) ( 1.708, -1.591, 0.539) ( 0.03, 0.05, 0.24) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-14.823, -7.893, -0.106) (-14.823, -7.893, -0.106) ( 0.00, 0.00, 0.00) 246: electro ( 1.012, -0.854, 0.352) ( 1.012, -0.854, 0.352) ( 0.00, 0.00, 0.00) 246: 2 (-213.165, 239.894, -122.837) (-213.131, 239.930, -122.828) ( 0.02, 0.01, 0.01) 246: bond ( 41.916, 143.345, -37.441) ( 41.937, 143.373, -37.437) ( 0.05, 0.02, 0.01) 246: angle (-253.888, 71.912, -100.043) (-253.878, 71.918, -100.043) ( 0.00, 0.01, 0.00) 246: torsion ( -6.134, 7.270, 24.251) ( -6.134, 7.271, 24.255) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.565, 18.251, -9.760) ( 5.566, 18.252, -9.761) ( 0.02, 0.00, 0.00) 246: electro ( -0.624, -0.884, 0.157) ( -0.624, -0.884, 0.157) ( 0.00, 0.00, 0.00) 246: 3 (-150.025, 122.428, -24.536) (-149.990, 122.475, -24.531) ( 0.02, 0.04, 0.02) 246: bond (-100.738, 108.256, -17.186) (-100.713, 108.294, -17.185) ( 0.02, 0.04, 0.01) 246: angle (-47.166, 14.804, -4.640) (-47.156, 14.813, -4.640) ( 0.02, 0.06, 0.02) 246: torsion ( -1.343, 3.194, -3.831) ( -1.343, 3.194, -3.828) ( 0.00, 0.00, 0.07) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.737, 0.521, -2.281) ( -6.737, 0.521, -2.281) ( 0.00, 0.01, 0.00) 246: electro ( 5.959, -4.347, 3.403) ( 5.959, -4.347, 3.403) ( 0.00, 0.00, 0.00) 246: 4 ( 9.643, -88.299, 28.696) ( 9.675, -88.259, 28.708) ( 0.33, 0.05, 0.04) 246: bond ( 3.149, 11.268, -3.764) ( 3.171, 11.298, -3.757) ( 0.73, 0.27, 0.19) 246: angle ( 6.039, -82.872, 35.774) ( 6.047, -82.864, 35.776) ( 0.14, 0.01, 0.01) 246: torsion ( 2.826, -1.640, -8.348) ( 2.826, -1.640, -8.344) ( 0.01, 0.05, 0.04) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (312.993, 491.095, -75.433) (313.079, 491.177, -75.428) ( 0.03, 0.02, 0.01) 247: bond (182.102, 361.399, -39.998) (182.175, 361.465, -39.996) ( 0.04, 0.02, 0.00) 247: angle (145.132, 114.986, -32.807) (145.144, 115.001, -32.807) ( 0.01, 0.01, 0.00) 247: torsion ( -0.088, 1.470, -3.367) ( -0.088, 1.470, -3.364) ( 0.00, 0.01, 0.08) 247: vdw (-14.461, 14.403, 1.413) (-14.460, 14.404, 1.413) ( 0.00, 0.00, 0.00) 247: electro ( 0.308, -1.163, -0.673) ( 0.308, -1.163, -0.673) ( 0.00, 0.00, 0.00) 247: 14 (-285.814, 354.520, 45.351) (-285.728, 354.617, 45.355) ( 0.03, 0.03, 0.01) 247: bond (-505.028, 338.173, -11.705) (-504.956, 338.260, -11.704) ( 0.01, 0.03, 0.01) 247: angle (220.011, 15.873, 61.540) (220.025, 15.883, 61.539) ( 0.01, 0.06, 0.00) 247: torsion ( -1.857, -2.686, -4.718) ( -1.857, -2.686, -4.715) ( 0.00, 0.00, 0.07) 247: vdw ( 1.060, 3.160, 0.234) ( 1.060, 3.160, 0.234) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 ( 24.507, -209.022, -22.911) ( 24.604, -208.936, -22.906) ( 0.39, 0.04, 0.02) 247: bond (156.762, -155.422, -28.130) (156.846, -155.348, -28.128) ( 0.05, 0.05, 0.01) 247: angle (-129.413, -58.792, -1.964) (-129.401, -58.781, -1.965) ( 0.01, 0.02, 0.02) 247: torsion ( -1.764, -0.172, 6.998) ( -1.763, -0.172, 7.001) ( 0.00, 0.00, 0.05) 247: vdw ( -1.078, 5.364, 0.186) ( -1.078, 5.364, 0.186) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 (-51.881, -107.783, -4.907) (-51.801, -107.693, -4.901) ( 0.16, 0.08, 0.12) 247: bond ( 22.023, -118.566, -16.321) ( 22.092, -118.490, -16.319) ( 0.31, 0.06, 0.01) 247: angle (-70.752, 8.239, 6.612) (-70.740, 8.252, 6.613) ( 0.02, 0.15, 0.00) 247: torsion ( 0.535, -0.313, 3.768) ( 0.535, -0.313, 3.771) ( 0.00, 0.00, 0.08) 247: vdw ( -4.438, 2.873, 2.399) ( -4.437, 2.873, 2.399) ( 0.00, 0.01, 0.00) 247: electro ( 0.749, -0.015, -1.365) ( 0.749, -0.015, -1.365) ( 0.00, 0.00, 0.00) 247: 17 (-18.930, 107.515, 14.333) (-18.855, 107.610, 14.339) ( 0.39, 0.09, 0.04) 247: bond (-22.609, 136.062, 16.568) (-22.547, 136.145, 16.570) ( 0.27, 0.06, 0.01) 247: angle ( 10.531, -26.073, -5.363) ( 10.544, -26.061, -5.363) ( 0.12, 0.05, 0.01) 247: torsion ( 0.544, -0.373, 3.400) ( 0.544, -0.373, 3.403) ( 0.00, 0.00, 0.09) 247: vdw ( -7.858, -2.132, 0.339) ( -7.858, -2.132, 0.339) ( 0.00, 0.00, 0.00) 247: electro ( 0.462, 0.030, -0.611) ( 0.462, 0.030, -0.611) ( 0.00, 0.00, 0.00) 247: 18 (-65.774, -68.811, -0.702) (-65.676, -68.740, -0.697) ( 0.15, 0.10, 0.31) 247: bond (-91.259, -79.239, 0.226) (-91.173, -79.180, 0.227) ( 0.09, 0.07, 0.02) 247: angle ( 26.073, 13.883, -0.908) ( 26.086, 13.895, -0.908) ( 0.05, 0.09, 0.02) 247: torsion ( 0.013, -0.002, 0.509) ( 0.013, -0.002, 0.512) ( 0.00, 0.00, 0.16) 247: vdw ( -0.640, -4.484, -0.380) ( -0.640, -4.484, -0.380) ( 0.00, 0.00, 0.00) 247: electro ( 0.039, 1.031, -0.148) ( 0.039, 1.031, -0.148) ( 0.00, 0.00, 0.00) 247: 19 ( 85.150, 81.337, 1.290) ( 85.231, 81.426, 1.294) ( 0.10, 0.11, 0.30) 247: bond (131.843, 64.348, -6.215) (131.912, 64.425, -6.214) ( 0.05, 0.12, 0.01) 247: angle (-51.578, 20.309, 7.548) (-51.566, 20.321, 7.548) ( 0.02, 0.06, 0.00) 247: torsion ( 0.198, -0.086, 0.969) ( 0.198, -0.086, 0.972) ( 0.00, 0.00, 0.30) 247: vdw ( 5.356, -3.308, -0.917) ( 5.356, -3.308, -0.917) ( 0.00, 0.00, 0.00) 247: electro ( -0.670, 0.074, -0.094) ( -0.670, 0.074, -0.094) ( 0.00, 0.00, 0.00) 247: 20 (-68.176, 83.937, 12.040) (-68.102, 84.034, 12.046) ( 0.11, 0.12, 0.05) 247: bond (-174.589, 125.582, 27.601) (-174.527, 125.666, 27.603) ( 0.04, 0.07, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.918, -17.675, 7.022) ( 0.919, -17.674, 7.022) ( 0.01, 0.00, 0.00) 246: electro ( -3.288, 2.621, -1.988) ( -3.288, 2.621, -1.988) ( 0.00, 0.00, 0.00) 246: 5 (-20.852, 34.625, -37.259) (-20.847, 34.648, -37.253) ( 0.02, 0.07, 0.01) 246: bond ( 1.606, 57.568, -25.196) ( 1.606, 57.591, -25.191) ( 0.02, 0.04, 0.02) 246: angle (-24.563, -1.326, -4.597) (-24.559, -1.326, -4.597) ( 0.02, 0.00, 0.01) 246: torsion ( 3.709, -8.418, -19.008) ( 3.709, -8.418, -19.008) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-12.625, -10.274, 7.171) (-12.624, -10.274, 7.171) ( 0.01, 0.00, 0.00) 246: electro ( 11.021, -2.925, 4.371) ( 11.021, -2.925, 4.371) ( 0.00, 0.00, 0.00) 246: 6 (-387.995, 95.745, -78.809) (-387.959, 95.780, -78.800) ( 0.01, 0.04, 0.01) 246: bond (-170.923, 156.286, -74.681) (-170.899, 156.312, -74.678) ( 0.01, 0.02, 0.00) 246: angle (-219.890, -40.280, -20.904) (-219.880, -40.272, -20.903) ( 0.00, 0.02, 0.00) 246: torsion ( -1.343, 3.083, 6.957) ( -1.343, 3.084, 6.962) ( 0.00, 0.02, 0.06) 246: oop ( -0.005, 0.013, 0.040) ( -0.005, 0.013, 0.040) ( 0.00, 0.00, 0.00) 246: vdw ( 3.646, -22.596, 9.528) ( 3.647, -22.596, 9.528) ( 0.03, 0.00, 0.00) 246: electro ( 0.521, -0.761, 0.251) ( 0.521, -0.761, 0.251) ( 0.00, 0.00, 0.00) 246: 7 (173.034, -205.670, 88.803) (173.075, -205.632, 88.813) ( 0.02, 0.02, 0.01) 246: bond (-30.994, 23.260, -12.018) (-30.963, 23.288, -12.014) ( 0.10, 0.12, 0.04) 246: angle (209.295, -246.958, 102.767) (209.304, -246.949, 102.766) ( 0.00, 0.00, 0.00) 246: torsion ( -0.848, 0.390, 3.384) ( -0.847, 0.391, 3.389) ( 0.01, 0.02, 0.16) 246: oop ( -0.064, 0.173, 0.491) ( -0.064, 0.173, 0.491) ( 0.00, 0.00, 0.00) 246: vdw ( -5.122, 18.379, -6.122) ( -5.121, 18.379, -6.122) ( 0.02, 0.00, 0.00) 246: electro ( 0.767, -0.914, 0.302) ( 0.767, -0.914, 0.302) ( 0.00, 0.00, 0.00) 246: 8 (176.395, 20.267, 22.152) (176.428, 20.297, 22.159) ( 0.02, 0.15, 0.03) 246: bond (126.293, -50.819, 33.089) (126.321, -50.798, 33.091) ( 0.02, 0.04, 0.01) 246: angle ( 34.480, 88.092, -24.751) ( 34.485, 88.100, -24.750) ( 0.01, 0.01, 0.00) 246: torsion ( -0.863, 2.056, 6.381) ( -0.863, 2.057, 6.384) ( 0.00, 0.02, 0.05) 246: oop ( 0.045, -0.120, -0.365) ( 0.045, -0.120, -0.364) ( 0.00, 0.00, 0.02) 246: vdw ( 16.167, -19.067, 7.814) ( 16.168, -19.066, 7.814) ( 0.00, 0.00, 0.00) 246: electro ( 0.272, 0.124, -0.016) ( 0.272, 0.124, -0.016) ( 0.00, 0.00, 0.00) 246: 9 (239.894, -72.401, -15.239) (239.924, -72.370, -15.231) ( 0.01, 0.04, 0.05) 246: bond (123.035, -74.312, 32.669) (123.062, -74.290, 32.673) ( 0.02, 0.03, 0.01) 246: angle (106.566, -15.151, -14.452) (106.568, -15.143, -14.450) ( 0.00, 0.05, 0.01) 246: torsion ( 4.251, -6.973, -25.732) ( 4.251, -6.973, -25.729) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.962, 16.449, -7.787) ( -0.962, 16.450, -7.787) ( 0.01, 0.00, 0.00) 246: electro ( 7.003, 7.586, 0.063) ( 7.003, 7.586, 0.063) ( 0.00, 0.00, 0.00) 246: 10 (-213.303, 251.697, -120.074) (-213.267, 251.729, -120.066) ( 0.02, 0.01, 0.01) 246: bond (-198.774, -33.489, -14.358) (-198.745, -33.469, -14.355) ( 0.01, 0.06, 0.02) 246: angle (-15.676, 272.089, -97.794) (-15.670, 272.098, -97.793) ( 0.04, 0.00, 0.00) 246: torsion ( -0.557, 1.730, 5.848) ( -0.557, 1.730, 5.851) ( 0.00, 0.03, 0.06) 246: oop ( 0.191, -0.578, -1.569) ( 0.191, -0.578, -1.569) ( 0.00, 0.00, 0.04) 246: vdw ( 1.608, 11.677, -12.164) ( 1.609, 11.678, -12.164) ( 0.03, 0.01, 0.00) 246: electro ( -0.095, 0.269, -0.036) ( -0.095, 0.269, -0.036) ( 0.00, 0.00, 0.00) 246: 11 ( 91.395, -97.429, 11.923) ( 91.433, -97.396, 11.930) ( 0.04, 0.03, 0.06) 246: bond (205.126, -17.769, 30.132) (205.153, -17.743, 30.136) ( 0.01, 0.15, 0.01) 246: angle (-127.916, -87.978, -9.803) (-127.906, -87.973, -9.802) ( 0.01, 0.01, 0.01) 246: torsion ( -0.628, 0.279, -5.824) ( -0.628, 0.280, -5.821) ( 0.01, 0.01, 0.05) 246: oop ( -0.028, 0.097, 0.238) ( -0.028, 0.097, 0.238) ( 0.00, 0.00, 0.00) 246: vdw ( 14.867, 8.063, -2.849) ( 14.868, 8.063, -2.849) ( 0.00, 0.00, 0.00) 246: electro ( -0.027, -0.120, 0.028) ( -0.027, -0.120, 0.028) ( 0.00, 0.00, 0.00) 246: 12 ( -9.502, -5.347, 2.856) ( -9.497, -5.334, 2.859) ( 0.04, 0.24, 0.10) 246: bond ( -0.172, -3.228, 1.215) ( -0.171, -3.216, 1.217) ( 0.00, 0.39, 0.15) 246: angle (-17.373, 0.415, -1.350) (-17.370, 0.415, -1.350) ( 0.02, 0.00, 0.01) 246: torsion ( -0.986, 2.554, 6.610) ( -0.986, 2.555, 6.611) ( 0.00, 0.00, 0.01) 246: oop ( -0.068, 0.230, 0.598) ( -0.068, 0.230, 0.598) ( 0.00, 0.00, 0.01) 246: vdw ( 8.319, -3.681, -4.283) ( 8.320, -3.681, -4.283) ( 0.01, 0.00, 0.00) 246: electro ( 0.778, -1.637, 0.066) ( 0.778, -1.637, 0.066) ( 0.00, 0.00, 0.00) 246: 13 ( 35.280, -2.720, 5.343) ( 35.316, -2.686, 5.352) ( 0.10, 1.28, 0.16) 246: bond (-17.572, 68.840, -24.748) (-17.546, 68.867, -24.745) ( 0.15, 0.04, 0.01) 246: angle ( 53.028, -48.241, 22.126) ( 53.038, -48.234, 22.127) ( 0.02, 0.02, 0.00) 246: torsion ( 0.215, -1.026, -3.228) ( 0.215, -1.025, -3.224) ( 0.00, 0.04, 0.12) 246: oop ( -0.098, 0.247, 0.753) ( -0.098, 0.247, 0.754) ( 0.00, 0.00, 0.05) 246: vdw ( 4.357, -19.538, 9.903) ( 4.358, -19.538, 9.903) ( 0.02, 0.00, 0.00) 246: electro ( -4.650, -3.002, 0.537) ( -4.650, -3.002, 0.537) ( 0.00, 0.00, 0.00) 246: 14 ( 4.875, -2.048, 1.248) ( 4.878, -2.035, 1.250) ( 0.05, 0.64, 0.17) 246: bond ( -0.012, -0.862, 0.280) ( -0.012, -0.849, 0.281) ( 0.00, 1.12, 0.04) 246: angle ( -5.352, -0.132, -0.628) ( -5.350, -0.132, -0.628) ( 0.03, 0.00, 0.00) 246: torsion ( -0.024, 0.064, 0.192) ( -0.024, 0.064, 0.193) ( 0.00, 0.00, 0.01) 246: oop ( -0.006, 0.017, 0.051) ( -0.006, 0.017, 0.051) ( 0.00, 0.00, 0.00) 246: vdw ( 11.767, -1.427, 1.446) ( 11.768, -1.427, 1.446) ( 0.00, 0.00, 0.00) 246: electro ( -1.497, 0.293, -0.093) ( -1.497, 0.293, -0.093) ( 0.00, 0.00, 0.00) 246: 15 (-29.961, -53.287, 21.519) (-29.949, -53.279, 21.521) ( 0.04, 0.01, 0.01) 246: bond ( 5.687, -3.544, 1.953) ( 5.698, -3.540, 1.954) ( 0.18, 0.11, 0.06) 246: angle ( 17.524, 24.913, -5.968) ( 17.525, 24.915, -5.968) ( 0.01, 0.01, 0.00) 246: torsion ( 0.283, -0.691, -2.078) ( 0.283, -0.691, -2.077) ( 0.00, 0.01, 0.04) 246: oop ( 0.033, -0.079, -0.240) ( 0.033, -0.079, -0.240) ( 0.00, 0.00, 0.00) 246: vdw (-55.285, -74.520, 28.523) (-55.284, -74.518, 28.523) ( 0.00, 0.00, 0.00) 246: electro ( 1.796, 0.634, -0.671) ( 1.796, 0.634, -0.671) ( 0.00, 0.00, 0.00) 246: 16 (-93.458, -78.831, 108.133) (-93.427, -78.805, 108.145) ( 0.03, 0.03, 0.01) 246: bond (-86.251, -62.985, 59.792) (-86.227, -62.966, 59.798) ( 0.03, 0.03, 0.01) 246: angle ( -0.284, -9.354, 55.228) ( -0.278, -9.346, 55.233) ( 0.19, 0.08, 0.01) 246: torsion ( 4.732, -8.367, -0.701) ( 4.732, -8.367, -0.701) ( 0.00, 0.00, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.001, -3.425, -2.168) ( -9.000, -3.425, -2.168) ( 0.00, 0.01, 0.00) 246: electro ( -2.654, 5.299, -4.017) ( -2.654, 5.299, -4.017) ( 0.00, 0.00, 0.00) 246: 17 (-59.217, 68.094, 99.158) (-59.200, 68.131, 99.189) ( 0.03, 0.05, 0.03) 246: bond (-14.572, 8.759, 35.421) (-14.563, 8.786, 35.442) ( 0.06, 0.31, 0.06) 246: angle (-30.431, 50.753, 66.157) (-30.424, 50.763, 66.167) ( 0.02, 0.02, 0.01) 246: torsion ( 0.561, -2.636, 2.948) ( 0.561, -2.636, 2.949) ( 0.02, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-14.500, 10.680, -5.146) (-14.499, 10.680, -5.146) ( 0.00, 0.00, 0.00) 246: electro ( -0.274, 0.538, -0.223) ( -0.274, 0.538, -0.223) ( 0.00, 0.00, 0.00) 246: 18 ( 18.743, 7.225, 1.367) ( 18.754, 7.232, 1.371) ( 0.06, 0.09, 0.24) 246: bond ( 9.683, -6.296, 4.710) ( 9.691, -6.292, 4.713) ( 0.09, 0.06, 0.05) 246: angle ( 5.877, 8.285, -1.025) ( 5.878, 8.287, -1.024) ( 0.02, 0.03, 0.02) 246: torsion ( -0.696, 0.896, 2.626) ( -0.696, 0.896, 2.627) ( 0.00, 0.01, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 9.432, 9.448, -6.296) ( 9.433, 9.448, -6.296) ( 0.00, 0.01, 0.00) 246: electro ( -5.553, -5.108, 1.352) ( -5.553, -5.108, 1.352) ( 0.00, 0.00, 0.00) 246: 19 ( 31.262, -3.433, -23.037) ( 31.290, -3.405, -23.010) ( 0.09, 0.81, 0.12) 246: bond ( 16.659, -41.413, -39.745) ( 16.677, -41.394, -39.726) ( 0.11, 0.05, 0.05) 246: angle ( 28.813, 16.760, 6.269) ( 28.822, 16.768, 6.277) ( 0.03, 0.05, 0.12) 246: torsion ( -4.337, 6.828, -5.077) ( -4.337, 6.828, -5.077) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.694, 14.431, 15.138) ( -9.693, 14.431, 15.138) ( 0.01, 0.00, 0.00) 246: electro ( -0.179, -0.038, 0.379) ( -0.179, -0.038, 0.379) ( 0.00, 0.00, 0.00) 246: 20 ( 34.360, 72.561, -31.770) ( 34.388, 72.590, -31.743) ( 0.08, 0.04, 0.08) 246: bond (-32.639, 38.555, -3.353) (-32.621, 38.574, -3.334) ( 0.06, 0.05, 0.56) 246: angle ( 15.456, 2.881, -6.003) ( 15.465, 2.891, -5.996) ( 0.06, 0.32, 0.13) 246: torsion ( 1.494, -0.570, 7.900) ( 1.494, -0.570, 7.900) ( 0.01, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 50.194, 32.876, -30.506) ( 50.194, 32.877, -30.505) ( 0.00, 0.00, 0.00) 246: electro ( -0.145, -1.181, 0.192) ( -0.145, -1.181, 0.192) ( 0.00, 0.00, 0.00) 246: 21 ( 1.450, -13.355, -5.871) ( 1.461, -13.349, -5.869) ( 0.73, 0.05, 0.04) 246: bond ( 6.671, -4.488, 0.587) ( 6.681, -4.484, 0.587) ( 0.14, 0.10, 0.01) 246: angle (-10.824, -17.938, -13.829) (-10.823, -17.936, -13.827) ( 0.01, 0.01, 0.02) 246: torsion ( 0.092, 0.258, 0.924) ( 0.092, 0.258, 0.924) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.370, 8.090, 5.502) ( 5.371, 8.090, 5.502) ( 0.00, 0.00, 0.00) 246: electro ( 0.140, 0.723, 0.945) ( 0.140, 0.723, 0.945) ( 0.00, 0.00, 0.00) 246: 22 ( 5.351, 0.480, -12.277) ( 5.353, 0.484, -12.264) ( 0.04, 0.18, 0.11) 246: bond ( -1.188, 4.315, -13.803) ( -1.188, 4.316, -13.790) ( 0.01, 0.03, 0.09) 246: angle ( 6.627, -4.394, -1.946) ( 6.629, -4.392, -1.946) ( 0.03, 0.05, 0.01) 246: torsion ( 0.961, -1.516, -0.557) ( 0.961, -1.516, -0.557) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.463, 1.716, 3.044) ( -1.463, 1.716, 3.044) ( 0.00, 0.00, 0.00) 246: electro ( 0.414, 0.359, 0.986) ( 0.414, 0.359, 0.986) ( 0.00, 0.00, 0.00) 246: 23 ( -9.348, 66.052, 6.198) ( -9.321, 66.080, 6.225) ( 0.29, 0.04, 0.42) 246: bond (-15.976, -14.308, 0.725) (-15.958, -14.290, 0.743) ( 0.12, 0.12, 1.33) 246: angle ( 7.263, 52.187, 0.459) ( 7.272, 52.196, 0.467) ( 0.12, 0.02, 0.34) 246: torsion ( 1.357, 4.220, -1.018) ( 1.357, 4.220, -1.017) ( 0.01, 0.01, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.052, 23.747, 5.943) ( -2.052, 23.748, 5.943) ( 0.00, 0.00, 0.00) 246: electro ( 0.060, 0.205, 0.089) ( 0.060, 0.205, 0.089) ( 0.00, 0.00, 0.00) 246: 24 ( -3.458, 6.379, 4.175) ( -3.455, 6.388, 4.182) ( 0.08, 0.14, 0.18) 246: bond ( 0.248, 7.426, 6.618) ( 0.248, 7.434, 6.624) ( 0.00, 0.11, 0.09) 246: angle (-12.472, -2.222, 2.957) (-12.469, -2.221, 2.959) ( 0.02, 0.04, 0.04) 246: torsion ( 0.579, -0.504, 0.544) ( 0.579, -0.504, 0.544) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.907, 3.337, -6.670) ( 7.908, 3.337, -6.670) ( 0.00, 0.00, 0.00) 246: electro ( 0.279, -1.658, 0.725) ( 0.279, -1.658, 0.725) ( 0.00, 0.00, 0.00) 246: 25 ( 47.600, -21.511, -33.250) ( 47.628, -21.483, -33.223) ( 0.06, 0.13, 0.08) 246: bond (-16.280, -4.390, 5.193) (-16.262, -4.372, 5.211) ( 0.11, 0.42, 0.35) 246: angle ( 40.624, -7.126, -26.096) ( 40.633, -7.117, -26.088) ( 0.02, 0.12, 0.03) 246: torsion ( 3.611, 0.746, -2.747) ( 3.611, 0.746, -2.747) ( 0.01, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 19.431, -10.560, -9.544) ( 19.431, -10.560, -9.543) ( 0.00, 0.00, 0.00) 246: electro ( 0.215, -0.181, -0.055) ( 0.215, -0.181, -0.055) ( 0.00, 0.00, 0.00) 246: 26 ( 5.897, 17.008, -6.176) ( 5.900, 17.013, -6.164) ( 0.06, 0.03, 0.19) 246: bond ( -2.112, 4.629, -11.095) ( -2.112, 4.631, -11.083) ( 0.02, 0.04, 0.10) 246: angle (-11.054, -0.117, 2.057) (-11.051, -0.115, 2.058) ( 0.02, 0.02, 0.02) 246: torsion ( -0.718, 1.139, 0.613) ( -0.718, 1.140, 0.613) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 19.610, 13.361, 1.940) ( 19.610, 13.361, 1.940) ( 0.00, 0.00, 0.00) 246: electro ( 0.171, -2.004, 0.309) ( 0.171, -2.004, 0.309) ( 0.00, 0.00, 0.00) 246: 27 (-46.185, -30.348, -10.099) (-46.161, -30.324, -10.085) ( 0.05, 0.08, 0.13) 246: bond ( -9.157, -5.246, -10.804) ( -9.139, -5.228, -10.797) ( 0.20, 0.34, 0.06) 246: angle (-45.617, -31.019, -1.758) (-45.611, -31.014, -1.751) ( 0.01, 0.02, 0.35) 246: torsion ( -5.884, -3.666, -0.502) ( -5.884, -3.666, -0.501) ( 0.00, 0.01, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 12.543, 7.362, 1.613) ( 12.543, 7.362, 1.613) ( 0.00, 0.00, 0.00) 246: electro ( 1.930, 2.221, 1.352) ( 1.930, 2.221, 1.352) ( 0.00, 0.00, 0.00) 246: 28 ( -0.909, -12.252, 5.767) ( -0.906, -12.248, 5.779) ( 0.28, 0.03, 0.21) 246: bond ( 1.926, -4.995, 11.194) ( 1.926, -4.992, 11.206) ( 0.02, 0.05, 0.10) 246: angle ( -0.582, -7.258, -3.133) ( -0.579, -7.256, -3.133) ( 0.15, 0.02, 0.01) 246: torsion ( -0.574, -4.249, -1.795) ( -0.574, -4.249, -1.795) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.864, 3.876, -0.368) ( -0.864, 3.876, -0.368) ( 0.00, 0.00, 0.00) 246: electro ( -0.815, 0.373, -0.131) ( -0.815, 0.373, -0.131) ( 0.00, 0.00, 0.00) 246: 29 ( -1.215, -6.423, -1.688) ( -1.213, -6.414, -1.680) ( 0.23, 0.14, 0.43) 246: bond ( -0.358, -5.027, -4.340) ( -0.358, -5.019, -4.334) ( 0.00, 0.16, 0.14) 246: angle ( -0.867, -3.780, 4.445) ( -0.864, -3.779, 4.447) ( 0.23, 0.02, 0.03) 246: torsion ( 0.009, 1.724, -1.997) ( 0.009, 1.724, -1.997) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.354, 0.043, -0.205) ( 0.354, 0.043, -0.205) ( 0.00, 0.00, 0.00) 246: electro ( -0.353, 0.616, 0.409) ( -0.353, 0.616, 0.409) ( 0.00, 0.00, 0.00) 246: 30 ( -6.845, 0.913, 1.976) ( -6.834, 0.918, 1.978) ( 0.16, 0.52, 0.12) 246: bond ( -5.928, 3.515, -0.385) ( -5.918, 3.519, -0.385) ( 0.17, 0.10, 0.00) 246: angle ( -1.889, -2.662, 4.706) ( -1.888, -2.660, 4.708) ( 0.03, 0.07, 0.05) 246: torsion ( 0.545, 0.691, -2.056) ( 0.545, 0.691, -2.056) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.142, 0.376, -0.048) ( 0.142, 0.376, -0.048) ( 0.00, 0.00, 0.00) 246: electro ( 0.286, -1.007, -0.241) ( 0.286, -1.007, -0.241) ( 0.00, 0.00, 0.00) 246: 31 ( -8.087, -2.126, 10.829) ( -8.084, -2.122, 10.842) ( 0.03, 0.18, 0.12) 246: bond ( 1.295, -3.749, 11.836) ( 1.296, -3.748, 11.849) ( 0.02, 0.04, 0.11) 246: angle ( -7.992, 2.748, 1.743) ( -7.990, 2.750, 1.744) ( 0.03, 0.08, 0.01) 246: torsion ( -3.829, 1.331, 0.840) ( -3.829, 1.331, 0.840) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.640, -1.381, -2.928) ( 2.640, -1.381, -2.928) ( 0.00, 0.00, 0.00) 246: electro ( -0.202, -1.073, -0.663) ( -0.202, -1.073, -0.663) ( 0.00, 0.00, 0.00) 246: 32 ( 3.782, -2.362, 12.697) ( 3.792, -2.354, 12.701) ( 0.25, 0.34, 0.03) 246: bond ( -2.410, -2.075, 1.208) ( -2.402, -2.069, 1.210) ( 0.34, 0.30, 0.17) 246: angle ( 2.377, 0.318, 5.268) ( 2.378, 0.320, 5.269) ( 0.04, 0.06, 0.02) 246: torsion ( 3.459, -0.401, 6.184) ( 3.460, -0.401, 6.184) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.196, -0.114, -0.019) ( -0.196, -0.114, -0.019) ( 0.00, 0.00, 0.00) 246: electro ( 0.552, -0.089, 0.057) ( 0.552, -0.089, 0.057) ( 0.00, 0.00, 0.00) 246: 33 ( 14.707, 15.392, 24.561) ( 14.712, 15.418, 24.561) ( 0.03, 0.17, 0.00) 246: bond ( 2.460, 14.832, -0.289) ( 2.461, 14.859, -0.288) ( 0.03, 0.18, 0.00) 246: angle ( 44.102, -7.196, 5.657) ( 44.106, -7.196, 5.657) ( 0.01, 0.00, 0.00) 246: torsion ( -3.348, 1.119, 29.067) ( -3.348, 1.119, 29.067) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-13.195, -1.613, -5.003) (-13.195, -1.613, -5.003) ( 0.00, 0.00, 0.00) 246: electro (-15.312, 8.249, -4.872) (-15.312, 8.249, -4.872) ( 0.00, 0.00, 0.00) 246: 34 ( 90.156, -169.662, 6.911) ( 90.180, -169.641, 6.913) ( 0.03, 0.01, 0.03) 246: bond (113.119, -119.745, 19.428) (113.140, -119.731, 19.429) ( 0.02, 0.01, 0.01) 246: angle ( 20.434, -27.807, 4.485) ( 20.435, -27.801, 4.485) ( 0.01, 0.02, 0.01) 246: torsion ( 2.332, -0.887, -19.412) ( 2.332, -0.887, -19.411) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-42.736, -28.761, 6.436) (-42.735, -28.761, 6.436) ( 0.00, 0.00, 0.00) 246: electro ( -2.992, 7.539, -4.026) ( -2.992, 7.539, -4.026) ( 0.00, 0.00, 0.00) 246: 35 ( 2.054, 31.026, -2.404) ( 2.065, 31.033, -2.403) ( 0.51, 0.02, 0.03) 246: bond ( 17.628, 13.996, 1.112) ( 17.637, 14.002, 1.112) ( 0.05, 0.04, 0.01) 246: angle (-21.183, 26.990, -3.906) (-21.182, 26.991, -3.906) ( 0.00, 0.00, 0.00) 246: torsion ( 0.171, -0.091, -1.558) ( 0.171, -0.091, -1.558) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( 5.438, -9.868, 1.948) ( 5.438, -9.868, 1.948) ( 0.00, 0.00, 0.00) 246: 36 ( 19.874, -0.962, -15.567) ( 19.910, -0.941, -15.541) ( 0.18, 2.01, 0.17) 246: bond ( 20.777, -25.063, -11.073) ( 20.805, -25.050, -11.056) ( 0.13, 0.05, 0.15) 246: angle ( 2.785, 15.055, -3.975) ( 2.794, 15.063, -3.965) ( 0.31, 0.06, 0.25) 246: torsion ( -5.968, 1.304, -1.007) ( -5.968, 1.303, -1.007) ( 0.00, 0.03, 0.02) 247: angle (103.136, -36.313, -15.162) (103.148, -36.301, -15.162) ( 0.01, 0.03, 0.00) 247: torsion ( 0.377, 0.326, 1.382) ( 0.377, 0.326, 1.386) ( 0.00, 0.00, 0.23) 247: vdw ( 3.373, -6.111, -1.706) ( 3.373, -6.111, -1.706) ( 0.01, 0.00, 0.00) 247: electro ( -0.473, 0.454, -0.075) ( -0.473, 0.454, -0.075) ( 0.00, 0.00, 0.00) 247: 21 (-59.411, -82.492, -73.756) (-59.364, -82.442, -73.714) ( 0.08, 0.06, 0.06) 247: bond ( 12.624, -154.571, 15.639) ( 12.658, -154.531, 15.674) ( 0.27, 0.03, 0.22) 247: angle (-67.098, 69.417, -105.866) (-67.085, 69.427, -105.858) ( 0.02, 0.01, 0.01) 247: torsion ( -4.653, 3.381, 16.257) ( -4.653, 3.382, 16.258) ( 0.01, 0.01, 0.00) 247: vdw ( -0.284, -0.720, 0.213) ( -0.284, -0.720, 0.213) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (-89.330, 45.460, 51.211) (-89.280, 45.507, 51.260) ( 0.05, 0.10, 0.10) 247: bond ( 12.839, 22.573, 0.989) ( 12.876, 22.608, 1.026) ( 0.29, 0.15, 3.63) 247: angle (-100.179, 23.945, 45.961) (-100.167, 23.957, 45.974) ( 0.01, 0.05, 0.03) 247: torsion ( 1.924, -0.079, 2.304) ( 1.924, -0.078, 2.305) ( 0.01, 0.00, 0.01) 247: vdw ( -3.913, -0.979, 1.956) ( -3.913, -0.979, 1.956) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 ( 89.639, 97.728, -21.522) ( 89.689, 97.776, -21.473) ( 0.06, 0.05, 0.23) 247: bond ( 2.818, 34.692, 2.637) ( 2.854, 34.728, 2.674) ( 1.27, 0.10, 1.40) 247: angle ( 88.780, 56.032, -24.887) ( 88.794, 56.044, -24.875) ( 0.02, 0.02, 0.04) 247: torsion ( 2.091, -0.939, 5.736) ( 2.091, -0.939, 5.736) ( 0.01, 0.02, 0.01) 247: vdw ( -4.050, 7.943, -5.008) ( -4.050, 7.943, -5.008) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (-1361.064, -716.503, 54.666) (-1361.020, -716.452, 54.716) ( 0.00, 0.01, 0.09) 247: bond (-1327.632, -815.920, 90.720) (-1327.597, -815.884, 90.763) ( 0.00, 0.00, 0.05) 247: angle (-37.784, 107.786, -38.227) (-37.775, 107.801, -38.220) ( 0.02, 0.01, 0.02) 247: torsion ( -0.124, -0.490, -1.187) ( -0.124, -0.490, -1.187) ( 0.00, 0.01, 0.07) 247: vdw ( 4.476, -7.879, 3.360) ( 4.476, -7.878, 3.360) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 (-43.642, -107.862, 17.641) (-43.595, -107.812, 17.687) ( 0.11, 0.05, 0.26) 247: bond (-40.433, -20.011, 4.163) (-40.396, -19.976, 4.199) ( 0.09, 0.17, 0.87) 247: angle (-20.506, -107.609, 15.774) (-20.497, -107.595, 15.782) ( 0.05, 0.01, 0.05) 247: torsion ( 1.314, -4.542, 0.958) ( 1.314, -4.542, 0.959) ( 0.01, 0.01, 0.07) 247: vdw ( 15.984, 24.300, -3.254) ( 15.984, 24.300, -3.254) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 ( 21.669, 39.887, -4.938) ( 21.712, 39.934, -4.892) ( 0.20, 0.12, 0.92) 247: bond ( 55.866, -14.525, -25.232) ( 55.900, -14.489, -25.196) ( 0.06, 0.25, 0.14) 247: angle (-35.142, 55.332, 11.882) (-35.133, 55.344, 11.892) ( 0.03, 0.02, 0.08) 247: torsion ( 2.117, 1.420, 7.814) ( 2.117, 1.421, 7.814) ( 0.01, 0.01, 0.01) 247: vdw ( -1.173, -2.341, 0.598) ( -1.172, -2.341, 0.598) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (-47.756, -72.759, -8.387) (-47.708, -72.711, -8.342) ( 0.10, 0.07, 0.54) 247: bond (-26.888, 10.352, -0.511) (-26.850, 10.387, -0.476) ( 0.14, 0.34, 1.83) 247: angle (-20.883, -88.530, -20.258) (-20.873, -88.517, -20.249) ( 0.05, 0.02, 0.04) 247: torsion ( -3.007, 3.318, 9.853) ( -3.006, 3.319, 9.853) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.063, 8.544, 0.466) ( 2.063, 8.544, 0.466) ( 0.00, 0.00, 0.00) 246: electro ( 0.216, -0.802, 0.022) ( 0.216, -0.802, 0.022) ( 0.00, 0.00, 0.00) 246: 37 ( -5.930, -4.258, -25.737) ( -5.904, -4.232, -25.705) ( 0.43, 0.61, 0.13) 246: bond ( -2.461, -26.438, -16.460) ( -2.444, -26.421, -16.438) ( 0.72, 0.07, 0.13) 246: angle ( -1.129, 12.699, -13.147) ( -1.122, 12.708, -13.137) ( 0.68, 0.07, 0.08) 246: torsion ( 4.307, 3.398, 2.906) ( 4.307, 3.398, 2.906) ( 0.01, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.798, 6.828, 1.015) ( -6.798, 6.828, 1.015) ( 0.00, 0.00, 0.00) 246: electro ( 0.152, -0.745, -0.051) ( 0.152, -0.745, -0.051) ( 0.00, 0.00, 0.00) 246: 38 ( 1.190, 5.045, -6.234) ( 1.194, 5.051, -6.225) ( 0.39, 0.12, 0.13) 246: bond ( -2.309, 4.051, -4.780) ( -2.307, 4.057, -4.773) ( 0.07, 0.13, 0.15) 246: angle ( 1.551, 1.029, 0.123) ( 1.554, 1.029, 0.124) ( 0.19, 0.07, 0.01) 246: torsion ( 3.107, -0.067, -1.559) ( 3.106, -0.067, -1.559) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.931, -0.156, 0.009) ( -0.931, -0.156, 0.009) ( 0.00, 0.00, 0.00) 246: electro ( -0.227, 0.189, -0.027) ( -0.227, 0.189, -0.027) ( 0.00, 0.00, 0.00) 246: 39 ( -2.417, -7.673, 6.179) ( -2.408, -7.670, 6.186) ( 0.35, 0.04, 0.13) 246: bond ( -4.552, -1.713, 4.541) ( -4.546, -1.712, 4.548) ( 0.15, 0.05, 0.15) 246: angle ( 1.497, -7.841, -1.454) ( 1.498, -7.839, -1.453) ( 0.12, 0.02, 0.08) 246: torsion ( 2.759, -1.370, 2.242) ( 2.759, -1.370, 2.242) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.001, 3.070, 0.732) ( -2.001, 3.070, 0.732) ( 0.00, 0.00, 0.00) 246: electro ( -0.119, 0.181, 0.117) ( -0.119, 0.181, 0.117) ( 0.00, 0.00, 0.00) 246: 40 ( 2.495, 5.396, -5.771) ( 2.500, 5.404, -5.765) ( 0.21, 0.15, 0.09) 246: bond ( 3.908, 5.356, -3.020) ( 3.913, 5.364, -3.017) ( 0.11, 0.15, 0.08) 246: angle ( -1.013, 0.507, -0.412) ( -1.012, 0.508, -0.409) ( 0.12, 0.03, 0.12) 246: torsion ( -1.277, -0.746, -2.982) ( -1.277, -0.746, -2.982) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.905, 0.007, 0.589) ( 0.905, 0.007, 0.589) ( 0.00, 0.00, 0.00) 246: electro ( -0.029, 0.272, 0.054) ( -0.029, 0.272, 0.054) ( 0.00, 0.00, 0.00) 246: 41 ( -0.002, -4.405, 6.787) ( 0.000, -4.402, 6.801) ( 0.00, 0.06, 0.20) 246: bond ( 1.119, -0.900, 5.841) ( 1.120, -0.900, 5.855) ( 0.04, 0.03, 0.23) 246: angle ( 0.861, -2.684, -0.577) ( 0.863, -2.682, -0.577) ( 0.19, 0.09, 0.00) 246: torsion ( -2.950, -2.613, 0.162) ( -2.950, -2.613, 0.162) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.125, 1.757, 1.262) ( 1.125, 1.757, 1.262) ( 0.00, 0.00, 0.00) 246: electro ( -0.157, 0.035, 0.098) ( -0.157, 0.035, 0.098) ( 0.00, 0.00, 0.00) 246: 42 ( 8.231, -46.377, 3.047) ( 8.233, -46.373, 3.061) ( 0.03, 0.01, 0.43) 246: bond ( -1.187, -0.100, 3.673) ( -1.186, -0.100, 3.686) ( 0.12, 0.00, 0.36) 246: angle ( 9.928, -50.673, 1.815) ( 9.929, -50.669, 1.815) ( 0.01, 0.01, 0.00) 246: torsion ( -0.764, 3.743, -0.144) ( -0.764, 3.743, -0.144) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.037, -0.220, -0.845) ( 0.037, -0.220, -0.844) ( 0.00, 0.00, 0.00) 246: electro ( 0.217, 0.873, -1.452) ( 0.217, 0.873, -1.452) ( 0.00, 0.00, 0.00) 246: ok 24 # gradients 246: ok 25 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( 15.644, 125.382, 8.490) ( 15.677, 125.410, 8.493) ( 0.22, 0.02, 0.04) 246: bond ( 17.373, 73.022, 6.267) ( 17.401, 73.042, 6.267) ( 0.16, 0.03, 0.01) 246: angle ( -2.709, 52.504, 2.697) ( -2.703, 52.513, 2.697) ( 0.24, 0.02, 0.00) 246: torsion ( 0.078, 0.026, -0.588) ( 0.078, 0.026, -0.585) ( 0.00, 0.00, 0.19) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.913, -0.143, 0.026) ( 0.913, -0.143, 0.026) ( 0.00, 0.00, 0.00) 246: electro ( -0.012, -0.028, 0.089) ( -0.012, -0.028, 0.089) ( 0.00, 0.00, 0.00) 246: 2 ( 3.413, 2.349, 0.643) ( 3.448, 2.385, 0.649) ( 1.02, 1.53, 0.40) 246: bond (-27.832, -25.792, -4.889) (-27.806, -25.765, -4.889) ( 0.09, 0.10, 0.01) 246: angle ( 31.946, 28.998, 6.175) ( 31.954, 29.007, 6.174) ( 0.03, 0.03, 0.00) 246: torsion ( 0.090, 0.043, -0.861) ( 0.090, 0.043, -0.855) ( 0.00, 0.00, 0.50) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.935, -0.767, -0.059) ( -0.935, -0.767, -0.059) ( 0.01, 0.00, 0.00) 246: electro ( 0.144, -0.132, 0.277) ( 0.144, -0.132, 0.277) ( 0.00, 0.00, 0.00) 246: 3 (-60.076, -124.122, -11.442) (-60.041, -124.085, -11.437) ( 0.06, 0.03, 0.05) 246: bond ( -2.236, -32.032, -2.221) ( -2.211, -32.005, -2.221) ( 1.13, 0.08, 0.03) 246: angle (-35.495, -109.358, -13.161) (-35.486, -109.349, -13.161) ( 0.03, 0.01, 0.00) 246: torsion ( -0.728, -0.150, 6.625) ( -0.728, -0.150, 6.629) ( 0.01, 0.00, 0.07) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-21.763, 17.707, -2.867) (-21.763, 17.708, -2.867) ( 0.00, 0.00, 0.00) 246: electro ( 0.146, -0.289, 0.182) ( 0.146, -0.289, 0.182) ( 0.00, 0.00, 0.00) 246: 4 ( 69.645, 38.599, 20.809) ( 69.675, 38.633, 20.812) ( 0.04, 0.09, 0.02) 246: bond ( 80.610, 67.321, 13.988) ( 80.629, 67.349, 13.988) ( 0.02, 0.04, 0.00) 246: angle ( 13.985, -19.121, 10.319) ( 13.995, -19.114, 10.320) ( 0.07, 0.04, 0.01) 246: torsion ( -0.030, -0.023, -5.570) ( -0.030, -0.023, -5.568) ( 0.00, 0.00, 0.04) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-24.861, -9.584, 2.033) (-24.861, -9.584, 2.033) ( 0.00, 0.00, 0.00) 246: electro ( -0.058, 0.005, 0.038) ( -0.058, 0.005, 0.038) ( 0.00, 0.00, 0.00) 246: 5 (-65.626, 46.637, -7.647) (-65.598, 46.667, -7.621) ( 0.04, 0.06, 0.35) 246: bond ( 38.092, -28.282, -8.383) ( 38.111, -28.263, -8.364) ( 0.05, 0.07, 0.22) 246: angle (-83.340, 67.151, -0.747) (-83.331, 67.161, -0.740) ( 0.01, 0.02, 0.49) 246: torsion ( -0.408, 0.323, -5.983) ( -0.408, 0.323, -5.982) ( 0.01, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-20.691, 6.854, 8.178) (-20.690, 6.854, 8.178) ( 0.00, 0.01, 0.00) 246: electro ( 0.721, 0.593, -0.712) ( 0.721, 0.593, -0.712) ( 0.00, 0.00, 0.00) 246: 6 (-84.995, -79.051, -15.103) (-84.981, -79.036, -15.103) ( 0.02, 0.02, 0.00) 246: bond (-74.810, -76.213, -12.570) (-74.799, -76.202, -12.571) ( 0.02, 0.01, 0.00) 246: angle ( -9.506, -4.523, -1.871) ( -9.504, -4.519, -1.871) ( 0.02, 0.07, 0.00) 246: torsion ( 0.115, 0.059, -0.989) ( 0.115, 0.059, -0.989) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.736, 1.636, -0.101) ( -0.735, 1.636, -0.101) ( 0.00, 0.00, 0.00) 246: electro ( -0.058, -0.011, 0.428) ( -0.058, -0.011, 0.428) ( 0.00, 0.00, 0.00) 246: 7 ( 40.249, 17.933, 48.945) ( 40.274, 17.958, 48.958) ( 0.06, 0.14, 0.03) 246: bond ( 40.914, 20.980, 56.184) ( 40.932, 20.998, 56.189) ( 0.04, 0.09, 0.01) 246: angle (-15.006, 10.514, -13.322) (-14.999, 10.520, -13.316) ( 0.04, 0.06, 0.05) 246: torsion ( 2.866, -3.976, -5.494) ( 2.866, -3.976, -5.493) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 16.577, -2.819, 10.063) ( 16.578, -2.819, 10.063) ( 0.00, 0.01, 0.00) 246: electro ( -5.103, -6.765, 1.515) ( -5.103, -6.765, 1.515) ( 0.00, 0.00, 0.00) 246: 8 ( 12.564, -6.466, 0.379) ( 12.567, -6.454, 0.384) ( 0.02, 0.18, 0.18) 246: bond ( -0.079, -3.442, 1.689) ( -0.079, -3.431, 1.692) ( 0.00, 0.33, 0.16) 246: angle ( 28.794, -4.274, -7.318) ( 28.796, -4.274, -7.316) ( 0.01, 0.01, 0.03) 246: torsion ( 0.796, 0.380, 0.808) ( 0.796, 0.380, 0.808) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-17.254, 0.282, 7.059) (-17.253, 0.282, 7.059) ( 0.00, 0.00, 0.00) 246: electro ( 0.307, 0.588, -1.858) ( 0.307, 0.588, -1.858) ( 0.00, 0.00, 0.00) 246: 9 ( 11.619, -5.680, -13.501) ( 11.622, -5.677, -13.487) ( 0.03, 0.05, 0.10) 246: bond ( -2.283, -2.038, -14.456) ( -2.282, -2.038, -14.442) ( 0.02, 0.02, 0.09) 246: angle ( 19.832, -7.343, -2.099) ( 19.834, -7.341, -2.099) ( 0.01, 0.03, 0.00) 246: torsion ( -0.663, -0.886, 0.230) ( -0.663, -0.885, 0.230) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.080, 3.773, 2.609) ( -4.080, 3.773, 2.609) ( 0.00, 0.00, 0.00) 246: electro ( -1.186, 0.814, 0.214) ( -1.186, 0.814, 0.214) ( 0.00, 0.00, 0.00) 246: 10 ( 23.620, -63.059, 12.308) ( 23.648, -63.031, 12.335) ( 0.12, 0.04, 0.22) 246: bond (-19.896, 28.244, -15.298) (-19.878, 28.263, -15.280) ( 0.09, 0.07, 0.12) 246: angle ( 31.272, -66.499, 22.060) ( 31.282, -66.490, 22.068) ( 0.03, 0.01, 0.03) 246: torsion ( 1.847, -0.313, 1.869) ( 1.847, -0.313, 1.869) ( 0.02, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 10.372, -24.536, 3.728) ( 10.372, -24.536, 3.728) ( 0.01, 0.00, 0.00) 246: electro ( 0.025, 0.045, -0.052) ( 0.025, 0.045, -0.052) ( 0.00, 0.00, 0.00) 246: 11 ( 41.115, 31.887, -3.911) ( 41.142, 31.915, -3.885) ( 0.07, 0.09, 0.66) 246: bond ( 43.968, -11.102, 3.079) ( 43.986, -11.083, 3.097) ( 0.04, 0.17, 0.60) 246: angle ( -1.014, 54.715, -13.618) ( -1.005, 54.724, -13.611) ( 0.92, 0.02, 0.05) 246: torsion ( -1.031, -0.193, 8.022) ( -1.031, -0.193, 8.023) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.822, -11.659, -1.434) ( -0.822, -11.658, -1.434) ( 0.00, 0.00, 0.00) 246: electro ( 0.014, 0.126, 0.040) ( 0.014, 0.126, 0.040) ( 0.00, 0.00, 0.00) 246: 12 ( 3.568, 15.659, -4.221) ( 3.576, 15.666, -4.218) ( 0.25, 0.05, 0.08) 246: bond ( -4.418, 3.835, 1.873) ( -4.410, 3.841, 1.875) ( 0.16, 0.14, 0.07) 246: angle ( 15.924, 23.570, -10.828) ( 15.925, 23.571, -10.826) ( 0.01, 0.01, 0.02) 246: torsion ( -1.226, -2.564, 2.369) ( -1.226, -2.564, 2.369) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.828, -8.424, 2.591) ( -6.828, -8.423, 2.591) ( 0.00, 0.00, 0.00) 246: electro ( 0.116, -0.758, -0.227) ( 0.116, -0.758, -0.227) ( 0.00, 0.00, 0.00) 246: 13 ( -7.792, 7.327, -12.878) ( -7.790, 7.330, -12.864) ( 0.03, 0.04, 0.11) 246: bond ( -1.370, -1.218, -16.275) ( -1.370, -1.218, -16.261) ( 0.01, 0.01, 0.09) 246: angle ( -7.318, 10.209, -0.149) ( -7.316, 10.212, -0.149) ( 0.03, 0.02, 0.00) 246: torsion ( -1.000, 4.473, -0.251) ( -1.000, 4.473, -0.251) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.157, -5.003, 3.406) ( 2.157, -5.003, 3.406) ( 0.00, 0.00, 0.00) 246: electro ( -0.261, -1.134, 0.390) ( -0.261, -1.134, 0.390) ( 0.00, 0.00, 0.00) 246: 14 ( 1.114, 2.225, 12.550) ( 1.117, 2.229, 12.563) ( 0.24, 0.19, 0.10) 246: bond ( -0.918, 5.582, 12.387) ( -0.918, 5.584, 12.399) ( 0.01, 0.04, 0.09) 246: angle ( 4.322, -6.752, 3.360) ( 4.325, -6.750, 3.361) ( 0.06, 0.03, 0.01) 246: torsion ( -1.605, 4.216, -2.018) ( -1.605, 4.216, -2.018) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.450, -1.094, -1.045) ( -0.449, -1.094, -1.045) ( 0.00, 0.00, 0.00) 246: electro ( -0.235, 0.273, -0.135) ( -0.235, 0.273, -0.135) ( 0.00, 0.00, 0.00) 246: 15 ( 0.602, 4.550, -10.731) ( 0.605, 4.559, -10.723) ( 0.18, 0.19, 0.07) 246: bond ( 2.067, 8.217, -7.378) ( 2.068, 8.225, -7.372) ( 0.03, 0.09, 0.08) 246: angle ( -3.740, 0.483, -0.510) ( -3.737, 0.484, -0.509) ( 0.06, 0.05, 0.06) 246: torsion ( 2.245, -3.016, -2.735) ( 2.245, -3.016, -2.735) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.402, -1.119, 0.139) ( 0.402, -1.119, 0.139) ( 0.00, 0.00, 0.00) 246: electro ( -0.373, -0.015, -0.247) ( -0.373, -0.015, -0.247) ( 0.00, 0.00, 0.00) 246: 16 (-12.334, -24.086, -1.982) (-12.320, -24.082, -1.981) ( 0.11, 0.02, 0.05) 246: bond ( -5.657, 1.477, -0.634) ( -5.643, 1.478, -0.634) ( 0.24, 0.06, 0.01) 246: angle ( -6.330, -25.114, -2.201) ( -6.330, -25.111, -2.201) ( 0.00, 0.01, 0.00) 246: torsion ( -0.132, -0.056, 1.045) ( -0.132, -0.056, 1.045) ( 0.00, 0.00, 0.09) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.071, -0.141, -0.005) ( 0.072, -0.141, -0.005) ( 0.00, 0.00, 0.00) 246: electro ( -0.286, -0.251, -0.186) ( -0.286, -0.251, -0.186) ( 0.00, 0.00, 0.00) 246: 17 ( 17.663, 7.046, 3.608) ( 17.667, 7.061, 3.610) ( 0.02, 0.21, 0.04) 246: bond ( -0.471, 5.579, 0.247) ( -0.471, 5.593, 0.247) ( 0.00, 0.26, 0.00) 246: angle ( 18.656, 1.475, 2.171) ( 18.659, 1.475, 2.171) ( 0.02, 0.00, 0.00) 246: torsion ( -0.179, -0.085, 1.574) ( -0.178, -0.085, 1.575) ( 0.00, 0.00, 0.10) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.455, 0.245, -0.061) ( -0.455, 0.245, -0.061) ( 0.00, 0.00, 0.00) 246: electro ( 0.112, -0.167, -0.323) ( 0.112, -0.167, -0.323) ( 0.00, 0.00, 0.00) 246: 18 (-13.242, 87.357, -29.874) (-13.213, 87.386, -29.846) ( 0.22, 0.03, 0.09) 246: bond (-34.100, 60.048, -72.323) (-34.081, 60.067, -72.305) ( 0.06, 0.03, 0.03) 246: angle ( 20.407, 22.661, 45.180) ( 20.415, 22.670, 45.189) ( 0.04, 0.04, 0.02) 246: torsion ( -1.100, -1.323, 1.620) ( -1.100, -1.322, 1.620) ( 0.03, 0.05, 0.02) 246: oop ( 0.091, 0.116, 0.000) ( 0.091, 0.116, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.333, 7.454, -6.595) ( -0.332, 7.454, -6.594) ( 0.01, 0.00, 0.00) 246: electro ( 1.794, -1.599, 2.243) ( 1.794, -1.599, 2.243) ( 0.00, 0.00, 0.00) 246: 19 ( 29.669, -31.984, -46.828) ( 29.694, -31.966, -46.791) ( 0.09, 0.06, 0.08) 246: bond ( 26.636, -22.059, -27.238) ( 26.652, -22.049, -27.209) ( 0.06, 0.05, 0.11) 246: angle ( 5.202, -28.237, -23.056) ( 5.209, -28.232, -23.047) ( 0.13, 0.02, 0.04) 246: torsion ( -1.939, -2.164, -0.218) ( -1.937, -2.161, -0.218) ( 0.09, 0.13, 0.00) 246: oop ( -0.059, -0.068, 0.005) ( -0.058, -0.068, 0.005) ( 0.00, 0.00, 0.00) 247: vdw ( 3.022, 2.101, 2.529) ( 3.022, 2.101, 2.530) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 (-84.354, 30.361, 125.085) (-84.308, 30.408, 125.129) ( 0.05, 0.15, 0.04) 247: bond (-12.611, 17.684, 62.899) (-12.576, 17.721, 62.933) ( 0.28, 0.21, 0.05) 247: angle (-69.663, 5.775, 52.412) (-69.652, 5.785, 52.422) ( 0.02, 0.16, 0.02) 247: torsion ( -1.456, 7.503, 9.639) ( -1.456, 7.503, 9.639) ( 0.02, 0.00, 0.00) 247: vdw ( -0.624, -0.601, 0.136) ( -0.624, -0.601, 0.136) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 (178.239, 59.859, -17.444) (178.282, 59.908, -17.395) ( 0.02, 0.08, 0.28) 247: bond (128.215, 58.142, -25.742) (128.248, 58.180, -25.705) ( 0.03, 0.07, 0.14) 247: angle ( 48.331, 15.984, 17.772) ( 48.341, 15.995, 17.783) ( 0.02, 0.07, 0.07) 247: torsion ( -3.523, -9.583, 6.545) ( -3.523, -9.583, 6.545) ( 0.00, 0.00, 0.00) 247: vdw ( 5.216, -4.685, -16.019) ( 5.216, -4.685, -16.019) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 (-425.815, 33.516, -847.680) (-425.779, 33.549, -847.604) ( 0.01, 0.10, 0.01) 247: bond (-248.539, 199.821, -757.719) (-248.512, 199.849, -757.651) ( 0.01, 0.01, 0.01) 247: angle (-200.524, -157.469, -57.618) (-200.516, -157.463, -57.611) ( 0.00, 0.00, 0.01) 247: torsion ( 5.066, -6.424, 2.469) ( 5.066, -6.424, 2.469) ( 0.00, 0.00, 0.00) 247: vdw ( 17.443, -2.235, -30.948) ( 17.444, -2.235, -30.947) ( 0.00, 0.00, 0.00) 247: electro ( 0.739, -0.178, -3.864) ( 0.739, -0.178, -3.864) ( 0.00, 0.00, 0.00) 247: 31 ( 89.548, -195.391, 508.761) ( 89.554, -195.371, 508.809) ( 0.01, 0.01, 0.01) 247: bond (-48.172, -271.651, 450.146) (-48.169, -271.632, 450.194) ( 0.01, 0.01, 0.01) 247: angle (132.809, 73.117, 58.328) (132.813, 73.118, 58.328) ( 0.00, 0.00, 0.00) 247: torsion ( 0.761, -1.047, -0.550) ( 0.761, -1.047, -0.550) ( 0.00, 0.00, 0.00) 247: vdw ( 3.864, 4.131, 0.125) ( 3.864, 4.131, 0.125) ( 0.00, 0.00, 0.00) 247: electro ( 0.286, 0.059, 0.714) ( 0.286, 0.059, 0.714) ( 0.00, 0.00, 0.00) 247: 32 (488.893, 102.091, 99.940) (488.908, 102.091, 99.964) ( 0.00, 0.00, 0.02) 247: bond (211.229, 6.631, 313.253) (211.237, 6.629, 313.272) ( 0.00, 0.02, 0.01) 247: angle ( 68.266, 79.408, -47.714) ( 68.268, 79.410, -47.713) ( 0.00, 0.00, 0.00) 247: torsion ( -3.055, 4.182, 1.971) ( -3.055, 4.182, 1.971) ( 0.00, 0.00, 0.00) 247: vdw (212.452, 11.871, -167.570) (212.458, 11.870, -167.567) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 ( 45.088, 208.770, -23.706) ( 45.090, 208.818, -23.678) ( 0.01, 0.02, 0.12) 247: bond ( 16.304, 200.345, -7.007) ( 16.306, 200.392, -6.985) ( 0.01, 0.02, 0.31) 247: angle ( 41.809, 0.611, -15.434) ( 41.811, 0.613, -15.429) ( 0.01, 0.10, 0.04) 247: torsion (-15.671, 2.926, -2.202) (-15.672, 2.926, -2.202) ( 0.01, 0.00, 0.00) 247: vdw ( 5.020, 3.888, 1.339) ( 5.021, 3.888, 1.339) ( 0.00, 0.00, 0.00) 247: electro ( -2.375, 0.999, -0.401) ( -2.375, 0.999, -0.401) ( 0.00, 0.00, 0.00) 247: 34 (355.299, 31.343, -78.600) (355.346, 31.349, -78.570) ( 0.01, 0.02, 0.04) 247: bond (311.200, 51.966, -29.253) (311.243, 51.969, -29.228) ( 0.01, 0.01, 0.09) 247: angle ( 33.558, 7.472, -51.143) ( 33.561, 7.474, -51.139) ( 0.01, 0.03, 0.01) 247: torsion ( 6.518, -34.470, -2.904) ( 6.518, -34.469, -2.904) ( 0.00, 0.00, 0.00) 247: vdw ( 1.574, 5.965, 4.845) ( 1.574, 5.965, 4.845) ( 0.01, 0.00, 0.00) 247: electro ( 2.450, 0.409, -0.145) ( 2.450, 0.409, -0.145) ( 0.00, 0.00, 0.00) 247: 35 ( 13.120, -4.680, -3.985) ( 13.149, -4.674, -3.983) ( 0.22, 0.11, 0.04) 246: vdw ( -0.171, 20.586, 3.668) ( -0.170, 20.586, 3.668) ( 0.01, 0.00, 0.00) 246: electro ( -0.001, -0.042, 0.010) ( -0.001, -0.042, 0.010) ( 0.00, 0.00, 0.00) 246: 20 ( -0.167, -60.187, 5.067) ( -0.150, -60.151, 5.095) ( 0.28, 0.06, 0.56) 246: bond (-13.335, -59.208, 11.009) (-13.323, -59.181, 11.030) ( 0.09, 0.05, 0.19) 246: angle (-17.127, -8.764, -10.876) (-17.123, -8.755, -10.870) ( 0.02, 0.10, 0.06) 246: torsion ( 0.375, -0.371, -0.858) ( 0.375, -0.371, -0.858) ( 0.02, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 22.586, 9.292, 2.173) ( 22.587, 9.293, 2.173) ( 0.00, 0.00, 0.01) 246: electro ( 7.334, -1.138, 3.619) ( 7.334, -1.138, 3.619) ( 0.00, 0.00, 0.00) 246: 21 ( 4.402, -4.198, -11.567) ( 4.405, -4.195, -11.553) ( 0.07, 0.07, 0.12) 246: bond ( -0.975, -1.277, -9.190) ( -0.975, -1.276, -9.176) ( 0.02, 0.02, 0.15) 246: angle ( 11.082, -14.956, 0.902) ( 11.085, -14.954, 0.903) ( 0.02, 0.02, 0.01) 246: torsion ( -0.864, -1.105, 0.245) ( -0.864, -1.104, 0.245) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -7.242, 11.589, -2.591) ( -7.242, 11.589, -2.591) ( 0.01, 0.00, 0.00) 246: electro ( 2.400, 1.551, -0.934) ( 2.400, 1.551, -0.934) ( 0.00, 0.00, 0.00) 246: 22 ( -5.881, 3.913, 18.792) ( -5.855, 3.931, 18.829) ( 0.44, 0.45, 0.20) 246: bond ( 14.134, -9.305, 74.126) ( 14.151, -9.296, 74.154) ( 0.12, 0.11, 0.04) 246: angle (-12.973, 9.627, -31.669) (-12.967, 9.631, -31.661) ( 0.05, 0.04, 0.03) 246: torsion ( 1.582, 1.882, 0.008) ( 1.584, 1.886, 0.008) ( 0.12, 0.20, 0.00) 246: oop ( 0.113, 0.142, 0.000) ( 0.113, 0.142, 0.000) ( 0.00, 0.01, 0.00) 246: vdw (-10.457, 3.861, -23.405) (-10.457, 3.861, -23.404) ( 0.00, 0.01, 0.00) 246: electro ( 1.720, -2.294, -0.268) ( 1.720, -2.294, -0.268) ( 0.00, 0.00, 0.00) 246: 23 (-13.869, 8.487, 10.338) (-13.842, 8.506, 10.373) ( 0.19, 0.21, 0.34) 246: bond (-21.743, 16.102, 21.542) (-21.724, 16.113, 21.567) ( 0.09, 0.07, 0.11) 246: angle ( 6.141, -4.220, 14.969) ( 6.146, -4.217, 14.978) ( 0.08, 0.07, 0.06) 246: torsion ( -0.978, -1.333, 0.050) ( -0.976, -1.329, 0.050) ( 0.20, 0.28, 0.00) 246: oop ( -0.037, -0.048, -0.000) ( -0.037, -0.048, -0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.075, -1.504, -26.495) ( 2.075, -1.504, -26.494) ( 0.00, 0.00, 0.00) 246: electro ( 0.673, -0.510, 0.273) ( 0.673, -0.510, 0.273) ( 0.00, 0.00, 0.00) 246: 24 ( -2.882, 2.485, 6.856) ( -2.857, 2.502, 6.893) ( 0.86, 0.69, 0.55) 246: bond ( -9.995, 7.266, 14.600) ( -9.979, 7.275, 14.630) ( 0.16, 0.13, 0.20) 246: angle ( -9.417, 7.281, 0.557) ( -9.411, 7.285, 0.565) ( 0.06, 0.05, 0.46) 246: torsion ( 0.613, 0.764, 0.016) ( 0.615, 0.768, 0.016) ( 0.13, 0.28, 0.00) 246: oop ( -0.209, -0.275, -0.005) ( -0.208, -0.274, -0.005) ( 0.01, 0.01, 0.00) 246: vdw ( 16.237, -12.583, -8.371) ( 16.237, -12.583, -8.371) ( 0.00, 0.00, 0.00) 246: electro ( -0.111, 0.031, 0.058) ( -0.111, 0.031, 0.058) ( 0.00, 0.00, 0.00) 246: 25 (-13.655, 11.112, -5.298) (-13.630, 11.129, -5.261) ( 0.18, 0.16, 0.70) 246: bond (-36.528, 28.512, 0.130) (-36.511, 28.523, 0.158) ( 0.05, 0.04, 0.36) 246: angle ( 5.526, -3.478, -23.723) ( 5.531, -3.475, -23.714) ( 0.10, 0.10, 0.04) 246: torsion ( -0.331, -0.396, 0.008) ( -0.329, -0.392, 0.008) ( 0.07, 0.14, 0.00) 246: oop ( 0.226, 0.291, 0.007) ( 0.227, 0.292, 0.007) ( 0.01, 0.01, 0.00) 246: vdw ( 17.509, -13.776, 18.233) ( 17.510, -13.776, 18.233) ( 0.00, 0.00, 0.00) 246: electro ( -0.058, -0.042, 0.047) ( -0.058, -0.042, 0.047) ( 0.00, 0.00, 0.00) 246: 26 ( 11.326, -10.841, -10.424) ( 11.351, -10.824, -10.389) ( 0.22, 0.16, 0.33) 246: bond (-10.517, 8.981, -69.682) (-10.498, 8.993, -69.658) ( 0.18, 0.13, 0.03) 246: angle ( 24.194, -18.411, 33.216) ( 24.197, -18.409, 33.227) ( 0.01, 0.01, 0.03) 246: torsion ( -2.207, -3.030, -0.271) ( -2.206, -3.027, -0.271) ( 0.08, 0.09, 0.00) 246: oop ( -0.486, -0.621, -0.019) ( -0.485, -0.620, -0.019) ( 0.01, 0.02, 0.00) 246: vdw ( 0.550, 1.323, 26.631) ( 0.550, 1.323, 26.631) ( 0.00, 0.00, 0.00) 246: electro ( -0.207, 0.917, -0.300) ( -0.207, 0.917, -0.300) ( 0.00, 0.00, 0.00) 246: 27 ( 2.749, 1.070, 9.025) ( 2.757, 1.075, 9.033) ( 0.26, 0.44, 0.09) 246: bond ( 3.982, -2.885, 4.072) ( 3.988, -2.882, 4.078) ( 0.14, 0.10, 0.14) 246: angle ( -7.527, 5.758, 11.429) ( -7.527, 5.758, 11.431) ( 0.01, 0.01, 0.02) 246: torsion ( 4.283, 5.791, -0.095) ( 4.284, 5.792, -0.095) ( 0.01, 0.02, 0.00) 246: oop ( 0.007, 0.010, -0.000) ( 0.007, 0.010, -0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.020, -10.163, -7.420) ( 5.020, -10.163, -7.420) ( 0.00, 0.00, 0.00) 246: electro ( -3.016, 2.559, 1.039) ( -3.016, 2.559, 1.039) ( 0.00, 0.00, 0.00) 246: 28 ( -1.597, 3.334, 2.891) ( -1.590, 3.339, 2.898) ( 0.44, 0.15, 0.26) 246: bond ( -1.478, 1.180, -1.445) ( -1.473, 1.184, -1.440) ( 0.38, 0.30, 0.37) 246: angle ( -3.422, 2.568, 5.608) ( -3.421, 2.569, 5.610) ( 0.02, 0.02, 0.04) 246: torsion ( 0.962, 1.225, 0.023) ( 0.962, 1.226, 0.023) ( 0.05, 0.07, 0.00) 246: oop ( 0.025, 0.031, 0.001) ( 0.025, 0.031, 0.001) ( 0.00, 0.00, 0.00) 246: vdw ( 2.500, -1.901, -1.857) ( 2.500, -1.901, -1.857) ( 0.00, 0.00, 0.00) 246: electro ( -0.183, 0.230, 0.561) ( -0.183, 0.230, 0.561) ( 0.00, 0.00, 0.00) 246: 29 ( -8.733, 10.082, 10.040) ( -8.731, 10.083, 10.053) ( 0.02, 0.01, 0.14) 246: bond ( 0.030, -0.009, -0.395) ( 0.030, -0.009, -0.381) ( 0.00, 0.00, 0.53) 246: angle (-24.364, 18.884, -2.337) (-24.363, 18.885, -2.337) ( 0.00, 0.00, 0.00) 246: torsion ( 2.811, 3.678, 0.138) ( 2.811, 3.678, 0.138) ( 0.01, 0.01, 0.00) 246: oop ( 0.174, 0.219, 0.009) ( 0.174, 0.219, 0.009) ( 0.00, 0.00, 0.00) 246: vdw ( 13.058, -12.723, 12.965) ( 13.058, -12.723, 12.965) ( 0.00, 0.00, 0.00) 246: electro ( -0.441, 0.033, -0.340) ( -0.441, 0.033, -0.340) ( 0.00, 0.00, 0.00) 246: 30 ( -0.964, -2.347, 0.145) ( -0.961, -2.344, 0.159) ( 0.28, 0.10, 0.21) 246: bond ( -0.121, 0.081, 1.060) ( -0.121, 0.082, 1.075) ( 0.00, 0.00, 1.33) 246: angle ( 0.934, -0.710, 0.159) ( 0.936, -0.709, 0.159) ( 0.20, 0.09, 0.00) 246: torsion ( -1.521, -2.022, -0.018) ( -1.520, -2.021, -0.018) ( 0.03, 0.04, 0.00) 246: oop ( 0.048, 0.063, 0.001) ( 0.048, 0.063, 0.001) ( 0.00, 0.00, 0.00) 246: vdw ( 0.034, -0.007, -0.386) ( 0.034, -0.007, -0.386) ( 0.00, 0.00, 0.00) 246: electro ( -0.338, 0.248, -0.671) ( -0.338, 0.248, -0.671) ( 0.00, 0.00, 0.00) 246: 31 ( -0.226, -0.578, -0.060) ( -0.218, -0.573, -0.055) ( 0.20, 0.33, 0.03) 246: bond ( -0.498, 0.367, 0.247) ( -0.491, 0.372, 0.249) ( 0.39, 0.17, 0.05) 246: angle ( 0.007, -0.017, 0.037) ( 0.008, -0.017, 0.040) ( 0.00, 0.00, 0.01) 246: torsion ( -0.479, -0.623, -0.015) ( -0.479, -0.622, -0.015) ( 0.02, 0.05, 0.00) 246: oop ( 0.104, 0.136, 0.002) ( 0.104, 0.136, 0.002) ( 0.00, 0.00, 0.00) 246: vdw ( 0.295, -0.221, -0.167) ( 0.295, -0.221, -0.167) ( 0.00, 0.00, 0.00) 246: electro ( 0.345, -0.221, -0.163) ( 0.345, -0.221, -0.163) ( 0.00, 0.00, 0.00) 246: 32 (-25.368, -58.445, -4.168) (-25.360, -58.428, -4.159) ( 0.03, 0.03, 0.21) 246: bond (-37.897, -54.343, -32.702) (-37.889, -54.328, -32.697) ( 0.02, 0.03, 0.02) 246: angle ( -0.340, 0.990, -1.257) ( -0.340, 0.992, -1.254) ( 0.01, 0.15, 0.18) 246: torsion ( -0.962, 0.342, 0.547) ( -0.962, 0.342, 0.547) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 19.496, -8.517, 36.588) ( 19.496, -8.517, 36.589) ( 0.00, 0.00, 0.00) 246: electro ( -5.665, 3.083, -7.343) ( -5.665, 3.083, -7.343) ( 0.00, 0.00, 0.00) 246: 33 ( 51.394, 5.706, 80.344) ( 51.402, 5.723, 80.362) ( 0.02, 0.30, 0.02) 246: bond ( 38.088, -37.097, 84.704) ( 38.092, -37.086, 84.720) ( 0.01, 0.03, 0.02) 246: angle ( 10.741, 8.517, 10.383) ( 10.744, 8.522, 10.385) ( 0.03, 0.06, 0.02) 246: torsion ( -4.202, 1.286, 2.601) ( -4.201, 1.286, 2.601) ( 0.02, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.730, 29.919, -16.938) ( 7.730, 29.920, -16.938) ( 0.00, 0.00, 0.00) 246: electro ( -0.963, 3.081, -0.405) ( -0.963, 3.081, -0.405) ( 0.00, 0.00, 0.00) 246: 34 (-37.323, 42.276, -81.401) (-37.296, 42.302, -81.374) ( 0.07, 0.06, 0.03) 246: bond ( 0.211, 32.125, -12.515) ( 0.230, 32.142, -12.497) ( 0.40, 0.06, 0.14) 246: angle (-22.919, 5.660, -35.599) (-22.912, 5.669, -35.591) ( 0.03, 0.15, 0.02) 246: torsion ( 2.511, -1.101, -2.384) ( 2.511, -1.101, -2.384) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-17.970, 6.141, -32.380) (-17.970, 6.141, -32.379) ( 0.00, 0.00, 0.00) 246: electro ( 0.844, -0.549, 1.478) ( 0.844, -0.549, 1.478) ( 0.00, 0.00, 0.00) 246: 35 ( 1.767, 0.470, 1.804) ( 1.772, 0.473, 1.816) ( 0.28, 0.12, 0.62) 246: bond ( 1.023, 0.055, 1.841) ( 1.026, 0.055, 1.852) ( 0.32, 0.00, 0.58) 246: angle ( 0.771, 0.161, -0.434) ( 0.773, 0.164, -0.433) ( 0.12, 0.04, 0.02) 246: torsion ( -0.225, 0.060, 0.123) ( -0.225, 0.060, 0.123) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.081, -0.268, 0.349) ( 0.081, -0.268, 0.349) ( 0.00, 0.00, 0.00) 246: electro ( 0.117, 0.463, -0.075) ( 0.117, 0.463, -0.075) ( 0.00, 0.00, 0.00) 246: 36 ( 8.993, -2.785, 7.348) ( 8.998, -2.777, 7.354) ( 0.05, 0.27, 0.09) 246: bond ( 1.748, -2.436, -2.251) ( 1.751, -2.430, -2.246) ( 0.18, 0.24, 0.23) 246: angle ( 8.379, -4.308, 11.192) ( 8.381, -4.306, 11.194) ( 0.02, 0.03, 0.01) 246: torsion ( 0.616, 0.128, 0.342) ( 0.616, 0.128, 0.342) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.850, 3.192, -2.499) ( -2.850, 3.192, -2.499) ( 0.00, 0.00, 0.00) 246: electro ( 1.100, 0.638, 0.563) ( 1.100, 0.638, 0.563) ( 0.00, 0.00, 0.00) 246: 37 ( 3.026, -2.642, 10.074) ( 3.039, -2.638, 10.077) ( 0.42, 0.13, 0.03) 246: bond ( -2.126, -0.638, 0.376) ( -2.114, -0.637, 0.376) ( 0.59, 0.07, 0.02) 246: angle ( 4.279, -5.791, 14.230) ( 4.279, -5.789, 14.232) ( 0.01, 0.04, 0.01) 246: torsion ( 0.003, 0.027, 0.062) ( 0.003, 0.027, 0.062) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.227, 3.093, -5.770) ( 0.227, 3.093, -5.770) ( 0.00, 0.00, 0.00) 246: electro ( 0.644, 0.667, 1.176) ( 0.644, 0.667, 1.176) ( 0.00, 0.00, 0.00) 246: ok 26 # gradients 246: ok 27 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (102.152, -13.405, 11.295) (102.186, -13.368, 11.304) ( 0.03, 0.27, 0.08) 246: bond ( 65.430, 20.212, 18.860) ( 65.454, 20.239, 18.862) ( 0.04, 0.13, 0.01) 246: angle ( 64.222, -43.610, 6.621) ( 64.231, -43.601, 6.623) ( 0.01, 0.02, 0.03) 246: torsion ( 2.285, 1.864, -9.889) ( 2.285, 1.864, -9.885) ( 0.01, 0.01, 0.04) 246: oop ( 0.189, 0.204, -0.875) ( 0.189, 0.204, -0.875) ( 0.00, 0.00, 0.04) 246: vdw (-29.752, 8.101, -3.444) (-29.752, 8.101, -3.444) ( 0.00, 0.00, 0.00) 246: electro ( -0.221, -0.175, 0.022) ( -0.221, -0.175, 0.022) ( 0.00, 0.00, 0.00) 246: 2 (-25.215, 10.780, 89.099) (-25.178, 10.817, 89.109) ( 0.15, 0.34, 0.01) 246: bond ( 34.767, -49.738, 0.175) ( 34.796, -49.714, 0.179) ( 0.08, 0.05, 0.05) 246: angle (-51.090, 50.603, 44.964) (-51.083, 50.614, 44.966) ( 0.02, 0.02, 0.00) 246: torsion ( -1.548, -4.298, 27.297) ( -1.548, -4.297, 27.301) ( 0.01, 0.00, 0.02) 246: oop ( -0.242, -0.222, 0.947) ( -0.242, -0.222, 0.947) ( 0.00, 0.00, 0.01) 246: vdw ( -7.740, 18.047, 15.318) ( -7.740, 18.048, 15.318) ( 0.00, 0.01, 0.00) 246: electro ( 0.639, -3.612, 0.399) ( 0.639, -3.612, 0.399) ( 0.00, 0.00, 0.00) 246: 3 (-83.042, -36.318, -41.768) (-83.007, -36.282, -41.759) ( 0.04, 0.10, 0.02) 246: bond (-76.007, -41.054, -29.725) (-75.982, -41.028, -29.723) ( 0.03, 0.07, 0.01) 246: angle (-38.446, -15.726, -3.780) (-38.436, -15.717, -3.778) ( 0.02, 0.06, 0.06) 246: torsion ( 5.065, 4.006, -19.830) ( 5.065, 4.006, -19.826) ( 0.01, 0.00, 0.02) 246: oop ( 0.501, 0.462, -1.986) ( 0.501, 0.462, -1.986) ( 0.00, 0.00, 0.02) 246: vdw ( 25.385, 16.189, 13.419) ( 25.385, 16.190, 13.419) ( 0.00, 0.00, 0.00) 246: electro ( 0.460, -0.195, 0.134) ( 0.460, -0.195, 0.134) ( 0.00, 0.00, 0.00) 246: 4 (-42.844, -11.172, -19.259) (-42.811, -11.135, -19.250) ( 0.08, 0.33, 0.05) 246: bond (-90.014, 22.518, -18.593) (-89.992, 22.547, -18.589) ( 0.02, 0.13, 0.02) 246: angle ( 16.795, -23.416, -0.140) ( 16.805, -23.409, -0.139) ( 0.06, 0.03, 0.02) 246: torsion ( 2.668, 4.258, -3.869) ( 2.669, 4.258, -3.865) ( 0.01, 0.01, 0.10) 246: oop ( -0.169, -0.157, 0.678) ( -0.169, -0.157, 0.678) ( 0.00, 0.00, 0.00) 246: vdw ( 26.874, -14.207, 2.581) ( 26.875, -14.207, 2.581) ( 0.00, 0.00, 0.00) 246: electro ( 1.002, -0.167, 0.084) ( 1.002, -0.167, 0.084) ( 0.00, 0.00, 0.00) 246: 5 ( -1.994, 38.051, 22.985) ( -1.964, 38.071, 22.992) ( 1.50, 0.05, 0.03) 246: bond ( 11.228, 60.887, 19.043) ( 11.255, 60.898, 19.046) ( 0.25, 0.02, 0.02) 246: angle ( -4.676, 9.306, 0.092) ( -4.674, 9.314, 0.093) ( 0.04, 0.09, 0.00) 246: torsion ( -3.291, -3.459, 13.086) ( -3.290, -3.459, 13.089) ( 0.01, 0.01, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.357, -25.900, -8.663) ( -5.357, -25.899, -8.663) ( 0.01, 0.00, 0.00) 246: electro ( 0.102, -2.783, -0.572) ( 0.102, -2.783, -0.572) ( 0.00, 0.00, 0.00) 246: 6 ( -4.575, -67.943, -17.081) ( -4.541, -67.907, -17.072) ( 0.76, 0.05, 0.05) 246: bond ( 45.081, -31.332, 3.011) ( 45.106, -31.304, 3.013) ( 0.05, 0.09, 0.08) 246: angle (-31.327, -14.947, -9.606) (-31.318, -14.939, -9.605) ( 0.03, 0.05, 0.01) 246: torsion ( 0.284, 0.309, -0.353) ( 0.285, 0.309, -0.348) ( 0.01, 0.01, 0.17) 246: oop ( -0.064, -0.069, 0.294) ( -0.064, -0.069, 0.294) ( 0.00, 0.00, 0.00) 246: vdw (-18.405, -22.065, -10.583) (-18.404, -22.064, -10.583) ( 0.00, 0.00, 0.00) 246: electro ( -0.145, 0.160, 0.156) ( -0.145, 0.160, 0.156) ( 0.00, 0.00, 0.00) 246: 7 ( 36.833, -39.537, 19.970) ( 36.859, -39.512, 19.992) ( 0.07, 0.06, 0.11) 246: bond ( 32.571, -25.330, -0.204) ( 32.588, -25.312, -0.188) ( 0.05, 0.07, 0.33) 246: angle ( 4.414, -0.479, 25.826) ( 4.421, -0.472, 25.832) ( 0.18, 0.32, 0.02) 246: torsion ( 0.416, 2.210, -1.047) ( 0.417, 2.211, -1.046) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.704, -15.258, -4.685) ( -0.704, -15.258, -4.685) ( 0.00, 0.00, 0.00) 246: electro ( 0.137, -0.680, 0.080) ( 0.137, -0.680, 0.080) ( 0.00, 0.00, 0.00) 246: 8 ( 21.971, -40.328, -61.277) ( 21.978, -40.307, -61.265) ( 0.03, 0.05, 0.02) 246: bond ( -5.929, -10.019, 18.365) ( -5.928, -10.000, 18.373) ( 0.02, 0.19, 0.05) 246: angle ( 46.107, -45.206, -72.265) ( 46.112, -45.204, -72.261) ( 0.01, 0.00, 0.00) 246: torsion ( -8.013, -0.359, -6.006) ( -8.014, -0.359, -6.005) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -8.589, 14.436, -2.931) ( -8.588, 14.436, -2.931) ( 0.01, 0.00, 0.00) 246: electro ( -1.604, 0.820, 1.559) ( -1.604, 0.820, 1.559) ( 0.00, 0.00, 0.00) 246: 9 ( -8.675, 118.199, -17.422) ( -8.650, 118.226, -17.396) ( 0.29, 0.02, 0.15) 246: bond ( 8.295, 10.899, -26.302) ( 8.313, 10.916, -26.283) ( 0.22, 0.16, 0.07) 246: angle (-17.304, 94.705, 14.018) (-17.297, 94.714, 14.026) ( 0.04, 0.01, 0.06) 246: torsion ( 3.994, -0.046, 1.165) ( 3.994, -0.046, 1.165) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.911, 12.378, -5.954) ( -3.910, 12.379, -5.954) ( 0.00, 0.00, 0.00) 246: electro ( 0.250, 0.263, -0.349) ( 0.250, 0.263, -0.349) ( 0.00, 0.00, 0.00) 246: 10 ( 58.847, 35.904, 35.967) ( 58.875, 35.931, 35.993) ( 0.05, 0.08, 0.07) 246: bond ( 21.967, 25.002, 8.944) ( 21.986, 25.020, 8.963) ( 0.08, 0.07, 0.21) 246: angle ( 24.422, 6.592, 14.649) ( 24.431, 6.601, 14.655) ( 0.03, 0.13, 0.04) 246: torsion ( -1.003, -0.914, 4.217) ( -1.003, -0.914, 4.217) ( 0.00, 0.00, 0.02) 246: oop ( -0.150, -0.150, 0.657) ( -0.150, -0.150, 0.657) ( 0.00, 0.00, 0.00) 246: vdw ( 13.392, 5.370, 7.463) ( 13.393, 5.371, 7.463) ( 0.00, 0.01, 0.00) 246: electro ( 0.218, 0.004, 0.037) ( 0.218, 0.004, 0.037) ( 0.00, 0.00, 0.00) 246: 11 (-73.816, 15.491, -8.358) (-73.788, 15.518, -8.332) ( 0.04, 0.18, 0.31) 246: bond (-49.401, 16.876, -5.239) (-49.382, 16.894, -5.220) ( 0.04, 0.11, 0.36) 246: angle (-11.770, 5.854, 2.961) (-11.762, 5.863, 2.968) ( 0.07, 0.15, 0.22) 246: torsion ( 0.420, 0.413, -1.922) ( 0.420, 0.413, -1.921) ( 0.00, 0.00, 0.04) 246: oop ( -0.065, -0.067, 0.286) ( -0.065, -0.067, 0.286) ( 0.00, 0.00, 0.00) 246: vdw (-12.585, -7.315, -3.895) (-12.585, -7.314, -3.895) ( 0.00, 0.00, 0.00) 246: electro ( -0.415, -0.270, -0.549) ( -0.415, -0.270, -0.549) ( 0.00, 0.00, 0.00) 246: 12 (-206.624, -89.261, -8.571) (-206.581, -89.223, -8.564) ( 0.02, 0.04, 0.08) 246: bond (-70.340, 34.087, -12.502) (-70.305, 34.112, -12.501) ( 0.05, 0.07, 0.01) 246: angle (-122.367, -156.953, 9.517) (-122.358, -156.940, 9.516) ( 0.01, 0.01, 0.00) 246: torsion ( -0.121, 0.153, 0.978) ( -0.121, 0.154, 0.984) ( 0.00, 0.00, 0.58) 246: oop ( 0.003, -0.005, -0.029) ( 0.003, -0.005, -0.029) ( 0.00, 0.00, 0.00) 246: vdw (-13.551, 32.310, -6.205) (-13.551, 32.310, -6.205) ( 0.00, 0.00, 0.00) 246: electro ( -0.249, 1.146, -0.329) ( -0.249, 1.146, -0.329) ( 0.00, 0.00, 0.00) 246: 13 (-31.232, -39.660, 2.568) (-31.196, -39.624, 2.575) ( 0.12, 0.09, 0.29) 246: bond ( 14.492, -68.239, 12.073) ( 14.520, -68.213, 12.074) ( 0.19, 0.04, 0.01) 246: angle (-55.628, 15.059, -8.063) (-55.620, 15.068, -8.063) ( 0.02, 0.06, 0.00) 246: torsion ( 0.060, -0.095, -0.580) ( 0.060, -0.095, -0.574) ( 0.00, 0.00, 0.34) 246: oop ( -0.011, 0.016, 0.103) ( -0.011, 0.016, 0.104) ( 0.00, 0.00, 0.01) 246: vdw ( 10.146, 13.486, -0.949) ( 10.146, 13.486, -0.949) ( 0.00, 0.00, 0.00) 246: electro ( -0.291, 0.114, -0.015) ( -0.291, 0.114, -0.015) ( 0.00, 0.00, 0.00) 246: 14 ( 16.764, -3.594, 1.930) ( 16.799, -3.556, 1.938) ( 0.21, 1.04, 0.42) 246: bond (-72.072, -22.005, -4.451) (-72.048, -21.975, -4.449) ( 0.03, 0.14, 0.04) 247: bond ( 16.867, -0.230, -1.803) ( 16.896, -0.230, -1.803) ( 0.17, 0.00, 0.02) 247: angle ( -0.250, -5.004, -1.704) ( -0.250, -4.999, -1.703) ( 0.00, 0.10, 0.03) 247: torsion ( -0.098, 0.340, -0.959) ( -0.098, 0.340, -0.958) ( 0.00, 0.00, 0.06) 247: vdw ( -2.257, 0.053, 0.249) ( -2.257, 0.053, 0.249) ( 0.00, 0.00, 0.00) 247: electro ( -1.143, 0.162, 0.231) ( -1.143, 0.162, 0.231) ( 0.00, 0.00, 0.00) 247: 36 ( 0.006, -15.359, -3.544) ( 0.016, -15.338, -3.540) ( 0.01, 0.14, 0.10) 247: bond ( 7.720, -14.222, -5.441) ( 7.726, -14.202, -5.438) ( 0.08, 0.14, 0.06) 247: angle ( -6.523, -3.314, -0.610) ( -6.519, -3.312, -0.610) ( 0.07, 0.03, 0.00) 247: torsion ( 0.113, -0.467, 1.379) ( 0.113, -0.467, 1.380) ( 0.00, 0.00, 0.05) 247: vdw ( -1.472, 1.894, 0.739) ( -1.472, 1.894, 0.739) ( 0.01, 0.00, 0.00) 247: electro ( 0.168, 0.749, 0.389) ( 0.168, 0.749, 0.389) ( 0.00, 0.00, 0.00) 247: 37 ( -1.645, -23.765, -11.107) ( -1.633, -23.744, -11.104) ( 0.76, 0.09, 0.02) 247: bond ( -8.146, -13.043, -3.758) ( -8.138, -13.023, -3.756) ( 0.09, 0.15, 0.05) 247: angle ( 22.101, -12.124, -5.860) ( 22.105, -12.123, -5.860) ( 0.02, 0.01, 0.01) 247: torsion ( 0.229, -0.865, 2.502) ( 0.229, -0.865, 2.503) ( 0.00, 0.01, 0.03) 247: vdw (-17.378, 2.284, -4.976) (-17.377, 2.284, -4.976) ( 0.00, 0.01, 0.00) 247: electro ( 1.549, -0.016, 0.985) ( 1.549, -0.016, 0.985) ( 0.00, 0.00, 0.00) 247: 38 ( 8.408, 13.534, 1.843) ( 8.418, 13.556, 1.846) ( 0.13, 0.16, 0.20) 247: bond ( -4.650, 8.801, 3.291) ( -4.644, 8.822, 3.294) ( 0.12, 0.23, 0.09) 247: angle ( 17.462, 8.623, 1.530) ( 17.466, 8.624, 1.530) ( 0.03, 0.01, 0.00) 247: torsion ( -0.168, 0.870, -2.570) ( -0.168, 0.870, -2.569) ( 0.00, 0.01, 0.03) 247: vdw ( -3.024, -4.212, -0.222) ( -3.024, -4.212, -0.222) ( 0.01, 0.00, 0.00) 247: electro ( -1.211, -0.549, -0.187) ( -1.211, -0.549, -0.187) ( 0.00, 0.00, 0.00) 247: 39 ( 10.765, 9.918, -1.617) ( 10.778, 9.939, -1.615) ( 0.12, 0.21, 0.15) 247: bond ( 8.882, 13.515, 3.463) ( 8.890, 13.534, 3.465) ( 0.09, 0.14, 0.04) 247: angle ( 3.987, -2.305, -1.242) ( 3.991, -2.304, -1.242) ( 0.10, 0.06, 0.03) 247: torsion ( -0.368, 1.081, -3.282) ( -0.368, 1.082, -3.282) ( 0.00, 0.01, 0.02) 247: vdw ( -1.312, -1.866, -0.453) ( -1.312, -1.866, -0.453) ( 0.01, 0.00, 0.00) 247: electro ( -0.425, -0.508, -0.102) ( -0.425, -0.508, -0.102) ( 0.00, 0.00, 0.00) 247: 40 (-19.395, 112.685, -25.588) (-19.386, 112.700, -25.575) ( 0.05, 0.01, 0.05) 247: bond (-28.621, 47.221, 42.215) (-28.616, 47.235, 42.226) ( 0.02, 0.03, 0.03) 247: angle ( -8.824, 0.753, -6.820) ( -8.821, 0.753, -6.820) ( 0.04, 0.03, 0.01) 247: torsion ( 17.980, 42.007, -34.806) ( 17.980, 42.007, -34.805) ( 0.00, 0.00, 0.00) 247: vdw ( -2.332, 20.683, -26.047) ( -2.331, 20.683, -26.047) ( 0.02, 0.00, 0.00) 247: electro ( 2.402, 2.022, -0.130) ( 2.402, 2.022, -0.130) ( 0.00, 0.00, 0.00) 247: 41 (-69.377, -53.313, 26.652) (-69.353, -53.296, 26.653) ( 0.03, 0.03, 0.00) 247: bond ( 32.496, -18.726, 5.332) ( 32.517, -18.719, 5.332) ( 0.07, 0.04, 0.01) 247: angle (-53.205, -90.112, 8.124) (-53.204, -90.108, 8.124) ( 0.00, 0.01, 0.00) 247: torsion ( 1.029, -1.765, -12.473) ( 1.029, -1.765, -12.473) ( 0.00, 0.00, 0.01) 247: vdw (-49.387, 55.775, 24.800) (-49.386, 55.780, 24.800) ( 0.00, 0.01, 0.00) 247: electro ( -0.309, 1.516, 0.870) ( -0.309, 1.516, 0.870) ( 0.00, 0.00, 0.00) 247: 42 ( 19.714, 21.792, 18.497) ( 19.735, 21.805, 18.499) ( 0.11, 0.06, 0.01) 247: bond (-10.363, 6.911, 2.336) (-10.343, 6.920, 2.337) ( 0.19, 0.12, 0.04) 247: angle ( 26.400, 39.285, 0.517) ( 26.401, 39.289, 0.517) ( 0.01, 0.01, 0.00) 246: angle ( 55.376, 21.622, 2.672) ( 55.386, 21.630, 2.672) ( 0.02, 0.03, 0.01) 246: torsion ( 0.028, -0.040, -0.269) ( 0.028, -0.040, -0.263) ( 0.00, 0.00, 0.15) 246: oop ( 0.008, -0.012, -0.076) ( 0.008, -0.012, -0.075) ( 0.00, 0.00, 0.01) 246: vdw ( 33.453, -3.053, 4.002) ( 33.454, -3.053, 4.002) ( 0.00, 0.00, 0.00) 246: electro ( -0.029, -0.106, 0.051) ( -0.029, -0.106, 0.051) ( 0.00, 0.00, 0.00) 246: 15 ( 8.467, -15.615, 2.941) ( 8.505, -15.580, 2.949) ( 0.44, 0.22, 0.27) 246: bond ( -2.650, 74.579, -11.566) ( -2.621, 74.604, -11.565) ( 1.11, 0.03, 0.01) 246: angle ( -2.162, -58.460, 8.600) ( -2.154, -58.451, 8.601) ( 0.36, 0.02, 0.00) 246: torsion ( 0.050, -0.070, -0.477) ( 0.050, -0.070, -0.471) ( 0.00, 0.00, 0.26) 246: oop ( -0.005, 0.008, 0.050) ( -0.005, 0.008, 0.051) ( 0.00, 0.00, 0.00) 246: vdw ( 12.804, -31.465, 6.212) ( 12.805, -31.464, 6.211) ( 0.00, 0.00, 0.00) 246: electro ( 0.430, -0.207, 0.121) ( 0.430, -0.207, 0.121) ( 0.00, 0.00, 0.00) 246: 16 ( 63.763, 54.797, -0.993) ( 63.799, 54.833, -0.985) ( 0.06, 0.06, 0.79) 246: bond ( 71.764, 10.866, 5.920) ( 71.791, 10.892, 5.922) ( 0.04, 0.24, 0.02) 246: angle ( 1.899, 57.441, -7.724) ( 1.908, 57.450, -7.724) ( 0.47, 0.02, 0.00) 246: torsion ( 0.025, -0.072, -0.434) ( 0.025, -0.072, -0.428) ( 0.00, 0.00, 0.26) 246: oop ( -0.014, 0.020, 0.131) ( -0.014, 0.020, 0.131) ( 0.00, 0.00, 0.01) 246: vdw ( -9.891, -13.625, 1.091) ( -9.891, -13.625, 1.091) ( 0.00, 0.00, 0.00) 246: electro ( -0.021, 0.167, 0.022) ( -0.021, 0.167, 0.022) ( 0.00, 0.00, 0.00) 246: 17 (-104.398, 269.781, -48.554) (-104.358, 269.821, -48.545) ( 0.04, 0.01, 0.02) 246: bond (-121.876, 77.612, -22.958) (-121.848, 77.645, -22.956) ( 0.02, 0.04, 0.01) 246: angle ( 52.475, 188.373, -23.225) ( 52.487, 188.380, -23.225) ( 0.02, 0.00, 0.00) 246: torsion ( -0.147, 0.296, 1.932) ( -0.147, 0.296, 1.938) ( 0.00, 0.00, 0.34) 246: oop ( 0.005, -0.007, -0.048) ( 0.005, -0.007, -0.048) ( 0.00, 0.00, 0.00) 246: vdw (-34.504, 3.961, -4.024) (-34.504, 3.961, -4.024) ( 0.00, 0.00, 0.00) 246: electro ( -0.351, -0.454, -0.231) ( -0.351, -0.454, -0.231) ( 0.00, 0.00, 0.00) 246: 18 (266.899, 64.087, 16.746) (266.934, 64.124, 16.749) ( 0.01, 0.06, 0.02) 246: bond (132.317, -0.927, 13.697) (132.343, -0.898, 13.698) ( 0.02, 2.68, 0.01) 246: angle (102.842, 120.385, -6.104) (102.851, 120.393, -6.104) ( 0.01, 0.01, 0.01) 246: torsion ( -0.378, 0.601, 4.209) ( -0.378, 0.601, 4.211) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 28.720, -49.200, 2.599) ( 28.720, -49.199, 2.599) ( 0.00, 0.00, 0.00) 246: electro ( 3.398, -6.773, 2.345) ( 3.398, -6.773, 2.345) ( 0.00, 0.00, 0.00) 246: 19 (-1538.742, 1188.788, -276.653) (-1538.710, 1188.828, -276.640) ( 0.00, 0.00, 0.00) 246: bond (-1545.879, 1191.431, -274.504) (-1545.847, 1191.469, -274.493) ( 0.00, 0.00, 0.00) 246: angle ( 1.487, -4.525, -0.024) ( 1.487, -4.523, -0.023) ( 0.01, 0.05, 0.00) 246: torsion ( 2.548, 2.036, 1.544) ( 2.548, 2.036, 1.545) ( 0.00, 0.00, 0.07) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.143, -0.004, -2.932) ( 4.144, -0.004, -2.932) ( 0.00, 0.00, 0.00) 246: electro ( -1.041, -0.150, -0.737) ( -1.041, -0.150, -0.737) ( 0.00, 0.00, 0.00) 246: 20 ( 86.436, 706.025, -101.088) ( 86.458, 706.051, -101.081) ( 0.03, 0.00, 0.01) 246: bond (151.196, 878.960, -118.276) (151.217, 878.983, -118.271) ( 0.01, 0.00, 0.00) 246: angle (-67.603, -173.081, 19.919) (-67.602, -173.079, 19.919) ( 0.00, 0.00, 0.00) 246: torsion ( 0.274, -0.460, -3.000) ( 0.274, -0.460, -2.998) ( 0.00, 0.00, 0.06) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.533, -0.331, -1.224) ( 1.533, -0.331, -1.224) ( 0.00, 0.00, 0.00) 246: electro ( 1.035, 0.938, 1.494) ( 1.035, 0.938, 1.494) ( 0.00, 0.00, 0.00) 246: 21 (1495.435, -2134.121, 408.407) (1495.458, -2134.091, 408.423) ( 0.00, 0.00, 0.00) 246: bond (1489.384, -2120.756, 422.184) (1489.406, -2120.728, 422.199) ( 0.00, 0.00, 0.00) 246: angle ( 4.342, -5.879, -12.450) ( 4.342, -5.877, -12.449) ( 0.01, 0.02, 0.01) 246: torsion ( 1.876, -6.333, 0.144) ( 1.876, -6.333, 0.145) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.735, -1.231, -1.506) ( 2.735, -1.231, -1.506) ( 0.00, 0.00, 0.00) 246: electro ( -2.902, 0.078, 0.035) ( -2.902, 0.078, 0.035) ( 0.00, 0.00, 0.00) 246: 22 (-51.923, 27.002, 1.657) (-51.916, 27.014, 1.659) ( 0.01, 0.05, 0.06) 246: bond (-20.900, -26.742, -4.766) (-20.893, -26.730, -4.766) ( 0.03, 0.04, 0.01) 246: angle ( -5.057, 1.912, 11.443) ( -5.057, 1.912, 11.444) ( 0.00, 0.00, 0.01) 246: torsion ( -3.586, 3.178, -2.103) ( -3.586, 3.178, -2.103) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-31.069, 49.001, -3.748) (-31.068, 49.002, -3.748) ( 0.00, 0.00, 0.00) 246: electro ( 8.688, -0.348, 0.831) ( 8.688, -0.348, 0.831) ( 0.00, 0.00, 0.00) 246: 23 ( -3.878, 2.588, -1.893) ( -3.870, 2.596, -1.891) ( 0.23, 0.31, 0.13) 246: bond ( -0.574, -0.525, -0.252) ( -0.566, -0.519, -0.250) ( 0.40, 0.31, 0.03) 246: angle ( -5.635, 6.083, 0.123) ( -5.633, 6.085, 0.123) ( 0.03, 0.03, 0.00) 246: torsion ( 0.329, 0.326, -1.421) ( 0.329, 0.326, -1.420) ( 0.00, 0.00, 0.07) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.425, -3.472, -0.465) ( 2.425, -3.472, -0.465) ( 0.00, 0.00, 0.00) 246: electro ( -0.424, 0.176, 0.122) ( -0.424, 0.176, 0.122) ( 0.00, 0.00, 0.00) 246: 24 ( 7.995, 5.188, -8.011) ( 7.998, 5.202, -8.008) ( 0.04, 0.26, 0.03) 246: bond ( 1.778, 9.862, -1.175) ( 1.779, 9.875, -1.175) ( 0.03, 0.14, 0.02) 246: angle ( 5.650, -2.229, -10.182) ( 5.652, -2.229, -10.180) ( 0.04, 0.01, 0.02) 246: torsion ( -3.745, 0.362, -2.628) ( -3.745, 0.362, -2.628) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.871, -2.924, 6.832) ( 3.871, -2.924, 6.832) ( 0.01, 0.00, 0.00) 246: electro ( 0.441, 0.118, -0.859) ( 0.441, 0.118, -0.859) ( 0.00, 0.00, 0.00) 246: 25 ( 3.805, 6.261, -9.494) ( 3.810, 6.265, -9.483) ( 0.15, 0.06, 0.11) 246: bond ( -0.049, -0.029, -0.085) ( -0.046, -0.027, -0.075) ( 0.02, 0.00, 0.08) 246: angle ( -0.551, 24.710, -8.633) ( -0.549, 24.712, -8.632) ( 0.12, 0.01, 0.01) 246: torsion ( 1.574, -4.084, 0.532) ( 1.574, -4.084, 0.532) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.456, -13.791, -0.063) ( 2.456, -13.791, -0.063) ( 0.00, 0.00, 0.00) 246: electro ( 0.375, -0.545, -1.244) ( 0.375, -0.545, -1.244) ( 0.00, 0.00, 0.00) 246: 26 ( -4.871, -15.773, 15.087) ( -4.869, -15.767, 15.097) ( 0.05, 0.04, 0.07) 246: bond ( -2.603, 5.540, 8.677) ( -2.602, 5.544, 8.687) ( 0.03, 0.07, 0.11) 246: angle ( -3.041, -32.251, 19.671) ( -3.039, -32.249, 19.672) ( 0.06, 0.01, 0.00) 246: torsion ( -1.919, 0.000, -0.575) ( -1.919, 0.000, -0.575) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.187, 10.150, -11.492) ( 2.187, 10.150, -11.491) ( 0.00, 0.00, 0.00) 246: electro ( 0.505, 0.787, -1.195) ( 0.505, 0.787, -1.195) ( 0.00, 0.00, 0.00) 246: 27 ( 1.735, -0.888, 2.081) ( 1.744, -0.882, 2.084) ( 0.55, 0.54, 0.14) 246: bond ( 2.163, -1.595, 0.593) ( 2.172, -1.591, 0.594) ( 0.40, 0.29, 0.04) 246: angle ( -1.176, -1.400, 0.551) ( -1.175, -1.398, 0.553) ( 0.07, 0.10, 0.13) 246: torsion ( 0.730, 1.478, 1.289) ( 0.730, 1.478, 1.289) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.029, -0.328, 0.071) ( -0.029, -0.328, 0.071) ( 0.00, 0.00, 0.00) 246: electro ( 0.046, 0.956, -0.422) ( 0.046, 0.956, -0.422) ( 0.00, 0.00, 0.00) 246: 28 ( 0.954, -5.346, -0.633) ( 0.963, -5.340, -0.630) ( 0.87, 0.12, 0.21) 246: bond ( -2.542, -1.968, -0.836) ( -2.534, -1.963, -0.835) ( 0.32, 0.25, 0.08) 246: angle ( 2.418, -3.758, 1.489) ( 2.418, -3.757, 1.492) ( 0.04, 0.04, 0.16) 246: torsion ( 0.984, -1.067, -0.477) ( 0.984, -1.067, -0.477) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.212, 0.467, -0.324) ( -0.212, 0.467, -0.324) ( 0.00, 0.00, 0.00) 246: electro ( 0.307, 0.980, -0.486) ( 0.307, 0.980, -0.486) ( 0.00, 0.00, 0.00) 246: 29 ( -2.244, 1.339, -9.097) ( -2.236, 1.344, -9.091) ( 0.34, 0.43, 0.06) 246: bond ( -1.127, 0.796, -0.929) ( -1.120, 0.799, -0.925) ( 0.57, 0.26, 0.41) 246: angle ( -2.303, -19.066, -13.691) ( -2.302, -19.064, -13.690) ( 0.05, 0.01, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.469, 18.917, 5.895) ( 1.469, 18.918, 5.895) ( 0.00, 0.00, 0.00) 246: electro ( -0.283, 0.691, -0.371) ( -0.283, 0.691, -0.371) ( 0.00, 0.00, 0.00) 246: 30 ( 0.093, -0.960, 8.322) ( 0.098, -0.956, 8.332) ( 0.05, 0.39, 0.12) 246: bond ( -3.132, -2.734, 5.362) ( -3.129, -2.732, 5.371) ( 0.10, 0.08, 0.17) 246: angle ( 3.096, 1.352, 2.493) ( 3.098, 1.354, 2.493) ( 0.06, 0.13, 0.04) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.323, 0.789, 0.324) ( 0.323, 0.789, 0.324) ( 0.00, 0.00, 0.00) 246: electro ( -0.194, -0.368, 0.143) ( -0.194, -0.368, 0.143) ( 0.00, 0.00, 0.00) 246: 31 ( 1.164, -3.174, -9.797) ( 1.168, -3.165, -9.791) ( 0.37, 0.27, 0.06) 246: bond ( 2.928, -6.193, -4.835) ( 2.929, -6.186, -4.831) ( 0.06, 0.12, 0.10) 246: angle (-14.636, 2.588, -12.191) (-14.634, 2.589, -12.190) ( 0.01, 0.04, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 14.644, 0.498, 7.769) ( 14.645, 0.498, 7.769) ( 0.00, 0.00, 0.00) 246: electro ( -1.773, -0.066, -0.540) ( -1.773, -0.066, -0.540) ( 0.00, 0.00, 0.00) 246: 32 ( 8.966, 3.718, -1.249) ( 8.973, 3.727, -1.247) ( 0.08, 0.24, 0.18) 246: bond ( 5.952, 6.761, 1.241) ( 5.959, 6.769, 1.242) ( 0.10, 0.12, 0.02) 246: angle ( 9.189, -7.564, -2.877) ( 9.190, -7.563, -2.875) ( 0.01, 0.01, 0.07) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.465, 3.912, 0.042) ( -6.465, 3.912, 0.042) ( 0.00, 0.00, 0.00) 246: electro ( 0.289, 0.609, 0.344) ( 0.289, 0.609, 0.344) ( 0.00, 0.00, 0.00) 246: 33 ( 4.858, 2.418, -8.841) ( 4.862, 2.423, -8.831) ( 0.07, 0.22, 0.11) 246: bond ( 2.541, -4.385, -6.934) ( 2.542, -4.381, -6.924) ( 0.05, 0.08, 0.13) 246: angle ( 6.028, 7.272, -2.389) ( 6.030, 7.274, -2.388) ( 0.03, 0.02, 0.03) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -5.260, -1.149, 0.216) ( -5.260, -1.149, 0.216) ( 0.00, 0.00, 0.00) 246: electro ( 1.549, 0.680, 0.265) ( 1.549, 0.680, 0.265) ( 0.00, 0.00, 0.00) 246: 34 ( -0.628, 0.434, 8.528) ( -0.625, 0.440, 8.538) ( 0.16, 0.28, 0.11) 246: bond ( 0.251, -3.966, 5.301) ( 0.251, -3.961, 5.311) ( 0.00, 0.13, 0.17) 246: angle ( 0.170, 4.417, 3.287) ( 0.173, 4.419, 3.287) ( 0.04, 0.03, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.706, -0.232, -1.036) ( -1.706, -0.232, -1.036) ( 0.00, 0.00, 0.00) 246: electro ( 0.657, 0.214, 0.976) ( 0.657, 0.214, 0.976) ( 0.00, 0.00, 0.00) 246: 35 ( 8.248, 6.901, -0.584) ( 8.255, 6.911, -0.583) ( 0.09, 0.15, 0.09) 246: bond ( 5.924, 8.036, -0.594) ( 5.929, 8.045, -0.594) ( 0.08, 0.12, 0.00) 246: angle ( 1.921, -1.386, 0.451) ( 1.924, -1.384, 0.451) ( 0.12, 0.08, 0.00) 246: torsion ( 0.038, -0.054, -0.357) ( 0.038, -0.054, -0.355) ( 0.00, 0.00, 0.05) 246: oop ( 0.004, -0.006, -0.040) ( 0.004, -0.006, -0.040) ( 0.00, 0.00, 0.00) 246: vdw ( 0.584, 0.227, 0.036) ( 0.584, 0.227, 0.036) ( 0.00, 0.00, 0.00) 246: electro ( -0.224, 0.084, -0.081) ( -0.224, 0.084, -0.081) ( 0.00, 0.00, 0.00) 246: 36 (-11.234, 3.388, -2.136) (-11.220, 3.392, -2.134) ( 0.13, 0.11, 0.08) 246: bond (-12.281, 1.560, -1.568) (-12.267, 1.560, -1.568) ( 0.11, 0.02, 0.02) 246: angle ( 0.218, 1.503, -0.206) ( 0.218, 1.506, -0.206) ( 0.00, 0.22, 0.00) 246: torsion ( 0.040, -0.057, -0.375) ( 0.040, -0.057, -0.373) ( 0.00, 0.00, 0.05) 246: oop ( -0.001, 0.001, 0.007) ( -0.001, 0.001, 0.007) ( 0.00, 0.00, 0.00) 246: vdw ( 0.374, 0.156, 0.019) ( 0.374, 0.156, 0.019) ( 0.00, 0.00, 0.00) 246: electro ( 0.414, 0.226, -0.013) ( 0.414, 0.226, -0.013) ( 0.00, 0.00, 0.00) 246: 37 ( -7.663, 9.470, -2.292) ( -7.657, 9.482, -2.290) ( 0.07, 0.13, 0.08) 246: bond ( -5.129, 11.363, -2.288) ( -5.126, 11.374, -2.287) ( 0.05, 0.10, 0.02) 246: angle ( -2.392, -1.097, -0.098) ( -2.389, -1.097, -0.098) ( 0.12, 0.05, 0.00) 246: torsion ( -0.006, 0.008, 0.049) ( -0.006, 0.008, 0.051) ( 0.00, 0.00, 0.01) 246: oop ( 0.004, -0.005, -0.036) ( 0.004, -0.005, -0.036) ( 0.00, 0.00, 0.00) 246: vdw ( -0.035, -0.400, 0.057) ( -0.035, -0.400, 0.057) ( 0.00, 0.00, 0.00) 246: electro ( -0.105, -0.398, 0.023) ( -0.105, -0.398, 0.023) ( 0.00, 0.00, 0.00) 246: 38 ( -7.103, -7.577, 1.149) ( -7.095, -7.567, 1.150) ( 0.10, 0.14, 0.13) 246: bond ( -6.172, -8.092, 0.595) ( -6.167, -8.083, 0.595) ( 0.09, 0.11, 0.00) 246: angle ( -0.200, 0.150, 0.009) ( -0.197, 0.151, 0.009) ( 0.04, 0.02, 0.00) 246: torsion ( -0.081, 0.120, 0.791) ( -0.081, 0.120, 0.793) ( 0.00, 0.00, 0.11) 246: oop ( 0.007, -0.010, -0.065) ( 0.007, -0.010, -0.065) ( 0.00, 0.00, 0.00) 246: vdw ( -0.021, -0.614, 0.092) ( -0.021, -0.614, 0.092) ( 0.00, 0.00, 0.00) 246: electro ( -0.636, 0.869, -0.272) ( -0.636, 0.869, -0.272) ( 0.00, 0.00, 0.00) 246: 39 ( 14.544, -46.771, 5.984) ( 14.549, -46.755, 5.985) ( 0.03, 0.03, 0.02) 246: bond (-11.935, -42.857, 4.341) (-11.933, -42.841, 4.341) ( 0.01, 0.04, 0.01) 246: angle ( 34.112, -9.074, 4.235) ( 34.116, -9.073, 4.235) ( 0.01, 0.00, 0.00) 246: torsion ( 0.147, -0.213, -1.697) ( 0.147, -0.213, -1.696) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.255, -1.843, 0.086) ( 2.255, -1.843, 0.086) ( 0.00, 0.00, 0.00) 246: electro (-10.036, 7.216, -0.981) (-10.036, 7.216, -0.980) ( 0.00, 0.00, 0.00) 246: ok 28 # gradients 246: ok 29 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (-266.482, -479.694, -43.813) (-266.456, -479.664, -43.790) ( 0.01, 0.01, 0.05) 246: bond (-76.378, -83.328, 5.828) (-76.359, -83.306, 5.843) ( 0.03, 0.03, 0.27) 246: angle (-184.516, -391.126, -46.098) (-184.508, -391.119, -46.091) ( 0.00, 0.00, 0.02) 246: torsion ( 1.060, -0.726, 1.536) ( 1.060, -0.726, 1.536) ( 0.02, 0.01, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.793, -4.720, -5.317) ( -6.793, -4.720, -5.317) ( 0.00, 0.00, 0.00) 246: electro ( 0.145, 0.206, 0.239) ( 0.145, 0.206, 0.239) ( 0.00, 0.00, 0.00) 246: 2 (-132.059, 49.062, 150.864) (-132.031, 49.085, 150.890) ( 0.02, 0.05, 0.02) 246: bond ( -1.376, 30.055, -80.272) ( -1.356, 30.069, -80.253) ( 1.43, 0.04, 0.02) 246: angle (-124.451, 16.569, 235.148) (-124.442, 16.579, 235.155) ( 0.01, 0.06, 0.00) 246: torsion ( -2.945, -0.838, -1.648) ( -2.945, -0.837, -1.648) ( 0.01, 0.03, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.377, 3.420, -2.472) ( -3.377, 3.420, -2.472) ( 0.00, 0.00, 0.00) 246: electro ( 0.090, -0.145, 0.108) ( 0.090, -0.145, 0.108) ( 0.00, 0.00, 0.00) 246: 3 (110.160, 148.761, -292.810) (110.190, 148.785, -292.785) ( 0.03, 0.02, 0.01) 246: bond ( 8.731, 23.950, -81.012) ( 8.753, 23.968, -80.997) ( 0.25, 0.07, 0.02) 246: angle (101.841, 71.301, -240.322) (101.848, 71.307, -240.312) ( 0.01, 0.01, 0.00) 246: torsion ( 0.513, 51.059, 29.046) ( 0.513, 51.059, 29.046) ( 0.00, 0.00, 0.00) 246: oop ( -2.509, 2.630, 4.705) ( -2.509, 2.630, 4.704) ( 0.00, 0.00, 0.00) 246: vdw ( 1.594, -0.021, -5.411) ( 1.595, -0.021, -5.411) ( 0.01, 0.00, 0.00) 246: electro ( -0.011, -0.158, 0.186) ( -0.011, -0.158, 0.186) ( 0.00, 0.00, 0.00) 246: 4 (-30.625, 274.618, 409.412) (-30.601, 274.644, 409.441) ( 0.08, 0.01, 0.01) 246: bond (-18.678, 45.805, 103.924) (-18.662, 45.823, 103.946) ( 0.09, 0.04, 0.02) 246: angle ( -9.785, 221.954, 301.672) ( -9.776, 221.961, 301.679) ( 0.08, 0.00, 0.00) 246: torsion ( 0.405, 0.933, -0.441) ( 0.406, 0.934, -0.440) ( 0.01, 0.03, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.402, 6.262, 4.497) ( -2.402, 6.263, 4.497) ( 0.01, 0.00, 0.00) 246: electro ( -0.166, -0.336, -0.240) ( -0.166, -0.336, -0.240) ( 0.00, 0.00, 0.00) 246: 5 (-137.416, -531.065, -97.350) (-137.384, -531.040, -97.333) ( 0.02, 0.00, 0.02) 246: bond ( 88.506, -87.549, -9.444) ( 88.531, -87.530, -9.433) ( 0.03, 0.02, 0.12) 246: angle (-157.117, -341.106, 92.987) (-157.111, -341.100, 92.994) ( 0.00, 0.00, 0.01) 246: torsion (-51.264, -122.036, -154.726) (-51.263, -122.036, -154.727) ( 0.00, 0.00, 0.00) 246: oop ( -1.611, -11.797, -24.093) ( -1.610, -11.797, -24.093) ( 0.01, 0.00, 0.00) 246: vdw (-15.854, 31.751, -2.089) (-15.853, 31.752, -2.089) ( 0.00, 0.00, 0.00) 246: electro ( -0.077, -0.328, 0.014) ( -0.077, -0.328, 0.014) ( 0.00, 0.00, 0.00) 246: 6 (245.381, 296.830, 31.668) (245.414, 296.859, 31.682) ( 0.01, 0.01, 0.04) 246: bond (-29.392, -55.954, 71.590) (-29.364, -55.933, 71.598) ( 0.09, 0.04, 0.01) 246: angle (185.102, 258.572, -102.084) (185.107, 258.580, -102.079) ( 0.00, 0.00, 0.00) 246: torsion ( 62.393, 63.069, 66.961) ( 62.393, 63.070, 66.961) ( 0.00, 0.00, 0.00) 246: oop ( 8.791, 9.410, 14.566) ( 8.791, 9.411, 14.567) ( 0.00, 0.00, 0.00) 246: vdw ( 18.952, 22.069, -19.310) ( 18.952, 22.070, -19.310) ( 0.00, 0.00, 0.00) 246: electro ( -0.465, -0.337, -0.055) ( -0.465, -0.337, -0.055) ( 0.00, 0.00, 0.00) 246: 7 (-401.813, -73.073, 28.170) (-401.780, -73.042, 28.179) ( 0.01, 0.04, 0.03) 246: bond (-149.923, -28.956, 2.127) (-149.897, -28.932, 2.133) ( 0.02, 0.08, 0.27) 246: angle (-208.356, -55.507, -2.256) (-208.351, -55.499, -2.251) ( 0.00, 0.01, 0.20) 246: torsion (-70.028, -4.287, 30.371) (-70.028, -4.286, 30.369) ( 0.00, 0.00, 0.01) 246: oop (-12.729, 8.838, 8.229) (-12.728, 8.838, 8.229) ( 0.00, 0.00, 0.00) 246: vdw ( 39.726, 6.305, -9.508) ( 39.727, 6.305, -9.508) ( 0.00, 0.00, 0.00) 246: electro ( -0.503, 0.533, -0.794) ( -0.503, 0.533, -0.794) ( 0.00, 0.00, 0.00) 246: 8 ( 89.558, -165.608, 378.995) ( 89.583, -165.575, 379.011) ( 0.03, 0.02, 0.00) 246: bond (-12.719, 127.733, 52.907) (-12.701, 127.758, 52.919) ( 0.14, 0.02, 0.02) 246: angle ( 59.540, -254.126, 333.740) ( 59.549, -254.119, 333.744) ( 0.01, 0.00, 0.00) 246: torsion ( 16.921, 0.360, -13.615) ( 16.921, 0.360, -13.616) ( 0.00, 0.01, 0.01) 246: oop ( 8.991, -8.957, 3.518) ( 8.992, -8.956, 3.518) ( 0.00, 0.00, 0.00) 246: vdw ( 17.205, -31.007, 3.025) ( 17.205, -31.006, 3.025) ( 0.00, 0.00, 0.00) 246: electro ( -0.381, 0.388, -0.579) ( -0.381, 0.388, -0.579) ( 0.00, 0.00, 0.00) 246: 9 (181.050, 212.936, -503.785) (181.074, 212.952, -503.754) ( 0.01, 0.01, 0.01) 246: bond ( 54.926, 21.639, -111.990) ( 54.943, 21.649, -111.962) ( 0.03, 0.05, 0.02) 246: angle (154.408, 215.364, -335.099) (154.416, 215.371, -335.095) ( 0.00, 0.00, 0.00) 246: torsion (-22.776, -29.287, -77.090) (-22.776, -29.288, -77.091) ( 0.00, 0.00, 0.00) 246: oop ( 14.301, 11.997, -6.900) ( 14.301, 11.997, -6.899) ( 0.00, 0.00, 0.00) 246: vdw (-19.011, -7.904, 28.441) (-19.010, -7.903, 28.441) ( 0.00, 0.01, 0.00) 246: electro ( -0.798, 1.127, -1.148) ( -0.798, 1.127, -1.148) ( 0.00, 0.00, 0.00) 246: 10 (-110.980, -89.621, 508.052) (-110.951, -89.590, 508.066) ( 0.03, 0.03, 0.00) 246: bond ( 59.114, 26.350, -5.703) ( 59.132, 26.376, -5.692) ( 0.03, 0.10, 0.19) 246: angle (-159.699, -148.196, 364.979) (-159.690, -148.191, 364.982) ( 0.01, 0.00, 0.00) 246: torsion ( 26.353, 29.164, 110.319) ( 26.353, 29.164, 110.319) ( 0.00, 0.00, 0.00) 246: oop ( -4.165, 8.811, 20.079) ( -4.165, 8.811, 20.079) ( 0.00, 0.00, 0.00) 246: vdw (-32.950, -5.653, 18.948) (-32.949, -5.652, 18.948) ( 0.00, 0.00, 0.00) 246: electro ( 0.368, -0.097, -0.570) ( 0.368, -0.097, -0.570) ( 0.00, 0.00, 0.00) 246: 11 ( 56.378, -4.697, -170.713) ( 56.403, -4.667, -170.689) ( 0.05, 0.64, 0.01) 246: bond (-90.846, -30.106, 8.396) (-90.828, -30.087, 8.413) ( 0.02, 0.07, 0.20) 246: angle (119.802, 13.861, -237.361) (119.810, 13.871, -237.353) ( 0.01, 0.07, 0.00) 246: torsion ( 29.207, 14.568, 65.225) ( 29.207, 14.568, 65.225) ( 0.00, 0.00, 0.00) 246: oop ( -3.616, -0.940, -3.440) ( -3.616, -0.940, -3.440) ( 0.00, 0.00, 0.00) 246: vdw ( 1.733, -2.762, -2.198) ( 1.733, -2.762, -2.198) ( 0.00, 0.00, 0.00) 246: electro ( 0.097, 0.683, -1.336) ( 0.097, 0.683, -1.336) ( 0.00, 0.00, 0.00) 246: 12 (180.244, -95.216, -388.464) (180.269, -95.191, -388.435) ( 0.01, 0.03, 0.01) 246: bond ( 50.891, -34.511, -102.084) ( 50.909, -34.494, -102.063) ( 0.04, 0.05, 0.02) 246: angle (129.592, -56.377, -281.676) (129.599, -56.369, -281.668) ( 0.01, 0.01, 0.00) 246: torsion ( -0.461, 0.236, -0.331) ( -0.461, 0.236, -0.331) ( 0.01, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.263, -4.446, -3.428) ( 0.263, -4.446, -3.428) ( 0.00, 0.00, 0.00) 246: electro ( -0.041, -0.118, -0.945) ( -0.041, -0.118, -0.945) ( 0.00, 0.00, 0.00) 247: torsion ( -1.585, 1.240, -10.682) ( -1.584, 1.240, -10.682) ( 0.00, 0.00, 0.01) 247: vdw ( 5.474, -26.880, 23.842) ( 5.474, -26.879, 23.843) ( 0.00, 0.00, 0.00) 247: electro ( -0.212, 1.236, 2.483) ( -0.212, 1.236, 2.483) ( 0.00, 0.00, 0.00) 247: 43 ( 9.715, 8.359, 2.930) ( 9.740, 8.368, 2.931) ( 0.26, 0.11, 0.03) 247: bond ( 14.301, 6.147, -0.831) ( 14.325, 6.152, -0.830) ( 0.17, 0.07, 0.01) 247: angle ( -1.761, 4.174, 0.598) ( -1.760, 4.179, 0.598) ( 0.05, 0.11, 0.01) 247: torsion ( 0.282, -0.288, 2.724) ( 0.282, -0.288, 2.725) ( 0.00, 0.00, 0.03) 247: vdw ( -2.337, -1.262, -0.140) ( -2.337, -1.262, -0.140) ( 0.00, 0.01, 0.00) 247: electro ( -0.770, -0.413, 0.578) ( -0.770, -0.413, 0.578) ( 0.00, 0.00, 0.00) 247: 44 ( -8.045, 9.666, 3.235) ( -8.039, 9.694, 3.236) ( 0.08, 0.29, 0.03) 247: bond ( 1.544, 12.383, 1.114) ( 1.545, 12.412, 1.114) ( 0.03, 0.23, 0.03) 247: angle ( -9.291, 1.062, 1.043) ( -9.286, 1.062, 1.043) ( 0.06, 0.01, 0.00) 247: torsion ( 0.121, -0.133, 1.312) ( 0.121, -0.133, 1.313) ( 0.00, 0.00, 0.06) 247: vdw ( -0.297, -2.246, -0.246) ( -0.297, -2.246, -0.246) ( 0.00, 0.00, 0.00) 247: electro ( -0.122, -1.401, 0.012) ( -0.122, -1.401, 0.012) ( 0.00, 0.00, 0.00) 247: 45 (-20.489, -1.793, -0.197) (-20.468, -1.779, -0.196) ( 0.10, 0.77, 0.02) 247: bond (-15.530, 11.287, 2.391) (-15.511, 11.296, 2.392) ( 0.12, 0.09, 0.02) 247: angle ( -7.148, -9.776, -0.187) ( -7.146, -9.773, -0.187) ( 0.03, 0.04, 0.00) 247: torsion ( -0.198, 0.179, -2.132) ( -0.198, 0.179, -2.132) ( 0.00, 0.00, 0.04) 247: vdw ( 1.583, -2.939, -0.285) ( 1.583, -2.939, -0.285) ( 0.00, 0.01, 0.00) 247: electro ( 0.804, -0.544, 0.016) ( 0.804, -0.544, 0.016) ( 0.00, 0.00, 0.00) 247: 46 (-46.238, -62.524, -18.907) (-46.212, -62.511, -18.906) ( 0.06, 0.02, 0.01) 247: bond (-11.826, -4.182, 1.104) (-11.800, -4.179, 1.104) ( 0.22, 0.08, 0.03) 247: angle (-21.089, 61.421, 7.120) (-21.088, 61.427, 7.120) ( 0.00, 0.01, 0.00) 247: torsion ( -0.097, 0.023, -0.953) ( -0.097, 0.023, -0.953) ( 0.00, 0.00, 0.07) 247: vdw (-12.557, -119.814, -26.018) (-12.557, -119.810, -26.019) ( 0.00, 0.00, 0.00) 247: electro ( -0.669, 0.028, -0.158) ( -0.669, 0.028, -0.158) ( 0.00, 0.00, 0.00) 247: 47 ( -5.094, 7.629, -4.637) ( -5.086, 7.633, -4.614) ( 0.15, 0.05, 0.49) 247: bond ( 0.337, 0.107, 0.688) ( 0.343, 0.108, 0.710) ( 0.17, 0.01, 1.52) 247: angle ( -5.784, 5.773, 1.912) ( -5.782, 5.776, 1.912) ( 0.04, 0.05, 0.03) 247: torsion ( 1.105, 8.313, -1.798) ( 1.105, 8.313, -1.798) ( 0.01, 0.00, 0.00) 247: vdw ( -0.752, -6.565, -5.438) ( -0.752, -6.564, -5.438) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 48 (-12.714, -49.529, -2.800) (-12.692, -49.520, -2.796) ( 0.18, 0.02, 0.15) 247: bond (-45.403, -22.360, -5.878) (-45.381, -22.354, -5.878) ( 0.05, 0.02, 0.00) 247: angle ( 25.355, -52.296, 3.108) ( 25.356, -52.292, 3.112) ( 0.00, 0.01, 0.12) 247: torsion ( 2.076, -5.961, 6.639) ( 2.076, -5.961, 6.639) ( 0.00, 0.00, 0.00) 247: vdw ( 5.257, 31.087, -6.670) ( 5.257, 31.088, -6.669) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 49 ( 29.104, -15.468, 26.637) ( 29.109, -15.464, 26.663) ( 0.02, 0.02, 0.10) 247: bond ( 8.691, -1.170, 31.882) ( 8.693, -1.171, 31.908) ( 0.02, 0.01, 0.08) 247: angle ( 17.852, -22.195, -5.679) ( 17.856, -22.191, -5.679) ( 0.02, 0.02, 0.00) 247: torsion ( 3.717, 7.207, -0.748) ( 3.717, 7.207, -0.748) ( 0.00, 0.00, 0.00) 247: vdw ( -1.156, 0.690, 1.183) ( -1.156, 0.690, 1.183) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: 13 (177.159, -749.884, 357.327) (177.174, -749.860, 357.355) ( 0.01, 0.00, 0.01) 246: bond (-44.902, -130.055, 126.312) (-44.885, -130.041, 126.343) ( 0.04, 0.01, 0.02) 246: angle (216.616, -602.738, 233.791) (216.618, -602.728, 233.790) ( 0.00, 0.00, 0.00) 246: torsion ( 1.742, -11.601, -8.917) ( 1.740, -11.601, -8.919) ( 0.13, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.733, -4.260, 5.522) ( 3.734, -4.260, 5.522) ( 0.00, 0.00, 0.00) 246: electro ( -0.031, -1.230, 0.619) ( -0.031, -1.230, 0.619) ( 0.00, 0.00, 0.00) 246: 14 (-556.433, 545.313, 144.224) (-556.456, 545.339, 144.202) ( 0.00, 0.00, 0.02) 246: bond ( 81.201, 143.057, -90.224) ( 81.207, 143.080, -90.217) ( 0.01, 0.02, 0.01) 246: angle (-649.254, 403.667, 216.950) (-649.268, 403.671, 216.934) ( 0.00, 0.00, 0.01) 246: torsion ( 7.273, 2.361, 10.183) ( 7.258, 2.361, 10.170) ( 0.20, 0.00, 0.13) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.736, -4.191, 9.144) ( 4.736, -4.190, 9.144) ( 0.00, 0.00, 0.00) 246: electro ( -0.389, 0.418, -1.830) ( -0.389, 0.418, -1.830) ( 0.00, 0.00, 0.00) 246: 15 ( 76.350, 389.501, -193.205) ( 76.358, 389.506, -193.187) ( 0.01, 0.00, 0.01) 246: bond (-16.374, -6.624, -25.478) (-16.366, -6.622, -25.460) ( 0.05, 0.02, 0.07) 246: angle (100.420, 396.337, -167.640) (100.420, 396.341, -167.641) ( 0.00, 0.00, 0.00) 246: torsion ( -2.927, 5.455, 0.463) ( -2.927, 5.455, 0.463) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.167, 0.434, -0.320) ( -0.167, 0.434, -0.319) ( 0.00, 0.00, 0.00) 246: electro ( -4.602, -6.102, -0.229) ( -4.602, -6.102, -0.229) ( 0.00, 0.00, 0.00) 246: 16 ( 78.937, 133.256, -20.896) ( 78.950, 133.259, -20.894) ( 0.02, 0.00, 0.01) 246: bond ( 57.660, -9.711, -1.294) ( 57.674, -9.710, -1.293) ( 0.02, 0.01, 0.02) 246: angle ( 24.213, 146.344, -19.060) ( 24.213, 146.346, -19.059) ( 0.00, 0.00, 0.01) 246: torsion ( 0.031, 0.059, 0.940) ( 0.031, 0.059, 0.940) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.860, -3.336, -1.462) ( -2.860, -3.336, -1.462) ( 0.00, 0.00, 0.00) 246: electro ( -0.107, -0.099, -0.020) ( -0.107, -0.099, -0.020) ( 0.00, 0.00, 0.00) 246: 17 ( 96.618, 110.889, -34.524) ( 96.621, 110.897, -34.515) ( 0.00, 0.01, 0.03) 246: bond ( 0.060, 35.420, 37.564) ( 0.060, 35.427, 37.571) ( 0.00, 0.02, 0.02) 246: angle ( 97.288, 76.300, -72.104) ( 97.290, 76.301, -72.103) ( 0.00, 0.00, 0.00) 246: torsion ( -0.377, 0.283, -0.266) ( -0.377, 0.283, -0.266) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.298, -0.992, 0.292) ( -0.298, -0.992, 0.292) ( 0.00, 0.00, 0.00) 246: electro ( -0.055, -0.122, -0.010) ( -0.055, -0.122, -0.010) ( 0.00, 0.00, 0.00) 246: 18 (152.532, 125.133, 49.263) (152.534, 125.140, 49.273) ( 0.00, 0.01, 0.02) 246: bond ( 1.891, 37.018, -40.293) ( 1.892, 37.025, -40.286) ( 0.01, 0.02, 0.02) 246: angle (152.656, 91.410, 91.178) (152.658, 91.411, 91.179) ( 0.00, 0.00, 0.00) 246: torsion ( 0.516, -0.455, -0.394) ( 0.516, -0.455, -0.394) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.445, -2.751, -1.170) ( -2.445, -2.751, -1.170) ( 0.00, 0.00, 0.00) 246: electro ( -0.086, -0.090, -0.057) ( -0.086, -0.090, -0.057) ( 0.00, 0.00, 0.00) 246: 19 ( 33.598, 47.349, 77.603) ( 33.602, 47.354, 77.613) ( 0.01, 0.01, 0.01) 246: bond ( 19.727, -25.506, 49.933) ( 19.729, -25.503, 49.943) ( 0.01, 0.01, 0.02) 246: angle ( 16.295, 69.516, 29.060) ( 16.297, 69.518, 29.061) ( 0.01, 0.00, 0.00) 246: torsion ( 1.324, -0.032, -0.539) ( 1.324, -0.032, -0.539) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.715, 3.219, -0.642) ( -3.715, 3.219, -0.642) ( 0.00, 0.00, 0.00) 246: electro ( -0.034, 0.151, -0.208) ( -0.034, 0.151, -0.208) ( 0.00, 0.00, 0.00) 246: 20 ( 90.303, 55.220, 37.006) ( 90.306, 55.226, 37.017) ( 0.00, 0.01, 0.03) 246: bond ( 0.943, 37.503, 57.728) ( 0.944, 37.507, 57.738) ( 0.03, 0.01, 0.02) 246: angle ( 87.895, 16.775, -12.335) ( 87.898, 16.776, -12.334) ( 0.00, 0.01, 0.01) 246: torsion ( 0.010, 0.212, -0.138) ( 0.010, 0.212, -0.138) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.240, 0.796, -8.184) ( 1.240, 0.796, -8.184) ( 0.02, 0.00, 0.00) 246: electro ( 0.215, -0.065, -0.065) ( 0.215, -0.065, -0.065) ( 0.00, 0.00, 0.00) 246: 21 (-63.090, -43.510, -52.283) (-63.085, -43.498, -52.281) ( 0.01, 0.03, 0.00) 246: bond (-21.882, -53.796, 9.267) (-21.880, -53.784, 9.268) ( 0.01, 0.02, 0.01) 246: angle (-42.282, 6.801, -60.352) (-42.280, 6.801, -60.350) ( 0.01, 0.01, 0.00) 246: torsion ( 0.135, 0.242, 1.726) ( 0.135, 0.242, 1.726) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.898, 3.181, -2.868) ( 0.899, 3.181, -2.868) ( 0.02, 0.00, 0.00) 246: electro ( 0.041, 0.062, -0.056) ( 0.041, 0.062, -0.056) ( 0.00, 0.00, 0.00) 246: 22 (-26.831, -85.474, -162.750) (-26.818, -85.471, -162.747) ( 0.05, 0.00, 0.00) 246: bond ( 48.229, -13.904, -17.372) ( 48.241, -13.903, -17.370) ( 0.02, 0.01, 0.01) 246: angle (-75.013, -75.597, -147.824) (-75.012, -75.596, -147.822) ( 0.00, 0.00, 0.00) 246: torsion ( 0.039, 0.436, -0.240) ( 0.039, 0.436, -0.240) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.104, 3.478, 2.557) ( -0.104, 3.478, 2.557) ( 0.00, 0.00, 0.00) 246: electro ( 0.018, 0.113, 0.128) ( 0.018, 0.113, 0.128) ( 0.00, 0.00, 0.00) 246: 23 ( 33.747, -52.410, -106.699) ( 33.750, -52.404, -106.689) ( 0.01, 0.01, 0.01) 246: bond (-16.946, 27.100, -50.783) (-16.944, 27.103, -50.773) ( 0.01, 0.01, 0.02) 246: angle ( 51.568, -82.556, -61.278) ( 51.570, -82.553, -61.278) ( 0.00, 0.00, 0.00) 246: torsion ( -0.261, -0.133, 0.016) ( -0.261, -0.133, 0.016) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.764, 3.067, 5.256) ( -0.764, 3.067, 5.256) ( 0.00, 0.00, 0.00) 246: electro ( 0.149, 0.111, 0.090) ( 0.149, 0.111, 0.090) ( 0.00, 0.00, 0.00) 246: 24 ( 49.461, -53.866, -118.082) ( 49.465, -53.854, -118.079) ( 0.01, 0.02, 0.00) 246: bond (-19.199, -42.597, -7.004) (-19.197, -42.585, -7.004) ( 0.01, 0.03, 0.01) 246: angle ( 70.070, -12.969, -113.206) ( 70.072, -12.969, -113.204) ( 0.00, 0.00, 0.00) 246: torsion ( 0.095, -0.051, 0.051) ( 0.095, -0.051, 0.051) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.554, 1.700, 1.922) ( -1.554, 1.700, 1.922) ( 0.00, 0.00, 0.00) 246: electro ( 0.049, 0.051, 0.155) ( 0.049, 0.051, 0.155) ( 0.00, 0.00, 0.00) 246: 25 (-25.952, 20.240, -3.550) (-25.947, 20.250, -3.547) ( 0.02, 0.05, 0.09) 246: bond ( 1.906, 3.328, -1.859) ( 1.909, 3.337, -1.856) ( 0.15, 0.26, 0.15) 246: angle (-23.590, 6.922, -11.820) (-23.588, 6.923, -11.820) ( 0.01, 0.01, 0.00) 246: torsion ( -5.397, 12.560, 17.032) ( -5.397, 12.561, 17.032) ( 0.00, 0.00, 0.00) 246: oop ( -0.943, -3.058, -6.468) ( -0.943, -3.058, -6.468) ( 0.00, 0.00, 0.00) 246: vdw ( 1.851, 0.130, -0.420) ( 1.851, 0.130, -0.420) ( 0.00, 0.00, 0.00) 246: electro ( 0.220, 0.357, -0.016) ( 0.220, 0.357, -0.016) ( 0.00, 0.00, 0.00) 246: 26 ( 48.248, -41.655, -49.930) ( 48.259, -41.652, -49.928) ( 0.02, 0.01, 0.00) 246: bond ( 9.516, 2.414, 4.595) ( 9.527, 2.415, 4.598) ( 0.12, 0.03, 0.06) 246: angle ( -4.786, -23.109, 22.053) ( -4.786, -23.107, 22.054) ( 0.00, 0.01, 0.00) 246: torsion ( 38.058, -14.848, -71.060) ( 38.058, -14.848, -71.061) ( 0.00, 0.00, 0.00) 246: oop ( 4.587, -5.572, -6.578) ( 4.587, -5.572, -6.578) ( 0.00, 0.00, 0.00) 246: vdw ( 0.374, -0.651, 0.336) ( 0.374, -0.651, 0.336) ( 0.00, 0.00, 0.00) 246: electro ( 0.499, 0.111, 0.724) ( 0.499, 0.111, 0.724) ( 0.00, 0.00, 0.00) 246: 27 (-40.977, 7.509, 19.060) (-40.974, 7.509, 19.074) ( 0.01, 0.00, 0.07) 246: bond ( 1.028, -0.156, 4.309) ( 1.029, -0.156, 4.323) ( 0.07, 0.00, 0.32) 246: angle (-13.326, 32.552, 4.350) (-13.325, 32.553, 4.350) ( 0.01, 0.00, 0.00) 246: torsion (-20.425, -20.126, 4.133) (-20.425, -20.127, 4.133) ( 0.00, 0.00, 0.00) 246: oop ( -8.448, -5.700, 1.805) ( -8.448, -5.700, 1.805) ( 0.00, 0.00, 0.00) 246: vdw ( -0.589, 1.362, 3.138) ( -0.589, 1.362, 3.138) ( 0.00, 0.00, 0.00) 246: electro ( 0.783, -0.423, 1.325) ( 0.783, -0.423, 1.325) ( 0.00, 0.00, 0.00) 246: 28 (-97.293, 158.369, -77.769) (-97.282, 158.372, -77.764) ( 0.01, 0.00, 0.01) 246: bond ( -9.367, -1.702, 6.347) ( -9.357, -1.702, 6.352) ( 0.10, 0.02, 0.07) 246: angle (-80.364, 143.566, -79.911) (-80.363, 143.569, -79.911) ( 0.00, 0.00, 0.00) 246: torsion ( -6.084, 24.848, -2.304) ( -6.084, 24.848, -2.303) ( 0.00, 0.00, 0.01) 246: oop ( -2.651, -5.664, -5.423) ( -2.651, -5.664, -5.423) ( 0.00, 0.00, 0.00) 246: vdw ( 1.654, -3.117, 3.458) ( 1.654, -3.117, 3.458) ( 0.01, 0.00, 0.00) 246: electro ( -0.480, 0.438, 0.064) ( -0.480, 0.438, 0.064) ( 0.00, 0.00, 0.00) 246: 29 ( 46.424, 30.854, 66.418) ( 46.435, 30.860, 66.421) ( 0.02, 0.02, 0.00) 246: bond ( 61.542, 36.037, 8.889) ( 61.552, 36.041, 8.890) ( 0.02, 0.01, 0.01) 246: angle (-12.493, 3.768, 71.212) (-12.492, 3.770, 71.214) ( 0.01, 0.05, 0.00) 246: torsion ( 0.930, -1.144, -1.798) ( 0.930, -1.144, -1.798) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.446, -8.200, -12.840) ( -4.446, -8.199, -12.840) ( 0.00, 0.00, 0.00) 246: electro ( 0.892, 0.393, 0.955) ( 0.892, 0.393, 0.955) ( 0.00, 0.00, 0.00) 246: 30 (-48.239, 25.591, 117.949) (-48.237, 25.605, 117.952) ( 0.00, 0.05, 0.00) 246: bond ( -6.792, 53.013, 9.932) ( -6.792, 53.026, 9.933) ( 0.01, 0.03, 0.01) 246: angle (-43.464, -26.225, 110.281) (-43.462, -26.225, 110.283) ( 0.00, 0.00, 0.00) 246: torsion ( 1.154, 0.032, 0.620) ( 1.154, 0.032, 0.620) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.846, -1.353, -3.547) ( 0.846, -1.353, -3.547) ( 0.00, 0.00, 0.00) 246: electro ( 0.017, 0.124, 0.662) ( 0.017, 0.124, 0.662) ( 0.00, 0.00, 0.00) 246: 31 (-56.565, 43.312, 101.137) (-56.560, 43.315, 101.148) ( 0.01, 0.01, 0.01) 246: bond ( 23.742, -12.645, 46.900) ( 23.745, -12.644, 46.910) ( 0.01, 0.01, 0.02) 246: angle (-81.124, 57.327, 56.513) (-81.122, 57.329, 56.514) ( 0.00, 0.00, 0.00) 246: torsion ( -0.177, -0.309, 0.007) ( -0.177, -0.309, 0.007) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.958, -1.189, -2.767) ( 0.958, -1.189, -2.767) ( 0.00, 0.00, 0.00) 246: electro ( 0.037, 0.127, 0.484) ( 0.037, 0.127, 0.484) ( 0.00, 0.00, 0.00) 246: 32 (-45.479, 41.742, 115.912) (-45.466, 41.746, 115.915) ( 0.03, 0.01, 0.00) 246: bond (-49.033, -17.444, 10.722) (-49.021, -17.442, 10.722) ( 0.02, 0.01, 0.01) 246: angle ( 2.327, 59.493, 107.416) ( 2.327, 59.495, 107.418) ( 0.01, 0.00, 0.00) 246: torsion ( -0.160, 0.329, -0.198) ( -0.160, 0.329, -0.198) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.559, -0.627, -2.586) ( 1.559, -0.627, -2.586) ( 0.00, 0.00, 0.00) 246: electro ( -0.172, -0.008, 0.558) ( -0.172, -0.008, 0.558) ( 0.00, 0.00, 0.00) 246: 33 (293.648, -251.208, -276.812) (293.638, -251.194, -276.821) ( 0.00, 0.01, 0.00) 246: bond ( -6.169, -16.241, 7.214) ( -6.167, -16.229, 7.216) ( 0.03, 0.07, 0.03) 246: angle (299.894, -238.899, -280.972) (299.888, -238.896, -280.978) ( 0.00, 0.00, 0.00) 246: torsion ( -4.857, -0.334, -4.901) ( -4.862, -0.334, -4.905) ( 0.10, 0.00, 0.10) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( 4.779, 4.265, 1.847) ( 4.779, 4.265, 1.847) ( 0.00, 0.00, 0.00) 246: ok 30 # gradients 246: ok 31 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( -3.442, -19.470, -1.727) ( -3.415, -19.442, -1.701) ( 0.78, 0.14, 1.49) 246: bond (-12.046, -1.217, -1.927) (-12.027, -1.199, -1.908) ( 0.16, 1.52, 0.97) 246: angle ( 7.238, -12.120, 0.945) ( 7.246, -12.112, 0.952) ( 0.11, 0.07, 0.66) 246: torsion ( 0.582, -6.068, -1.073) ( 0.582, -6.068, -1.073) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.998, 0.178, 0.421) ( 0.998, 0.178, 0.421) ( 0.00, 0.00, 0.00) 246: electro ( -0.214, -0.242, -0.093) ( -0.214, -0.242, -0.093) ( 0.00, 0.00, 0.00) 246: 2 (245.840, -11.757, 72.267) (245.875, -11.718, 72.276) ( 0.01, 0.33, 0.01) 246: bond ( 77.690, 69.207, 45.161) ( 77.715, 69.238, 45.167) ( 0.03, 0.04, 0.01) 246: angle (172.284, -82.905, 35.928) (172.294, -82.898, 35.930) ( 0.01, 0.01, 0.01) 246: torsion ( 2.384, 5.248, -10.001) ( 2.384, 5.248, -9.999) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -7.633, -2.172, -2.491) ( -7.633, -2.172, -2.491) ( 0.00, 0.00, 0.00) 246: electro ( 1.115, -1.134, 3.669) ( 1.115, -1.134, 3.669) ( 0.00, 0.00, 0.00) 246: 3 ( -5.078, 4.446, -6.954) ( -5.074, 4.459, -6.952) ( 0.07, 0.29, 0.03) 246: bond ( 1.459, 4.293, -0.351) ( 1.460, 4.305, -0.351) ( 0.10, 0.29, 0.00) 246: angle ( -2.925, 0.321, -8.216) ( -2.923, 0.322, -8.214) ( 0.07, 0.01, 0.03) 246: torsion ( -0.484, 0.301, 1.681) ( -0.484, 0.301, 1.681) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.960, -0.223, -0.119) ( -3.960, -0.223, -0.119) ( 0.00, 0.00, 0.00) 246: electro ( 0.833, -0.247, 0.052) ( 0.833, -0.247, 0.052) ( 0.00, 0.00, 0.00) 246: 4 ( 0.711, 2.002, -4.913) ( 0.717, 2.008, -4.907) ( 0.45, 0.30, 0.13) 246: bond ( 2.553, -2.568, -2.673) ( 2.558, -2.564, -2.668) ( 0.18, 0.18, 0.19) 246: angle ( 6.931, 6.816, 0.094) ( 6.933, 6.818, 0.096) ( 0.02, 0.02, 0.01) 246: torsion ( 0.207, 1.182, -0.937) ( 0.207, 1.182, -0.937) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -8.964, -2.417, -1.160) ( -8.963, -2.417, -1.160) ( 0.00, 0.00, 0.00) 246: electro ( -0.017, -1.011, -0.237) ( -0.017, -1.011, -0.237) ( 0.00, 0.00, 0.00) 246: 5 ( -9.656, -0.763, 3.225) ( -9.654, -0.760, 3.238) ( 0.03, 0.25, 0.40) 246: bond ( 0.268, -0.904, 2.749) ( 0.268, -0.902, 2.762) ( 0.00, 0.12, 0.46) 246: angle ( -8.963, -2.205, 0.150) ( -8.960, -2.203, 0.150) ( 0.03, 0.08, 0.00) 246: torsion ( -0.431, 3.040, 1.035) ( -0.431, 3.040, 1.035) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.944, -0.045, -0.815) ( -0.944, -0.045, -0.815) ( 0.00, 0.00, 0.00) 246: electro ( 0.413, -0.650, 0.106) ( 0.413, -0.650, 0.106) ( 0.00, 0.00, 0.00) 246: 6 (-36.959, 41.759, 10.918) (-36.945, 41.776, 10.920) ( 0.04, 0.04, 0.02) 246: bond (-35.916, 42.475, 9.669) (-35.905, 42.491, 9.670) ( 0.03, 0.04, 0.01) 246: angle ( 17.939, 12.987, 9.543) ( 17.941, 12.988, 9.543) ( 0.01, 0.01, 0.01) 246: torsion ( -0.378, -0.725, 1.780) ( -0.378, -0.725, 1.781) ( 0.00, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-18.582, -23.931, -9.878) (-18.581, -23.931, -9.877) ( 0.00, 0.00, 0.00) 246: electro ( -0.021, 10.953, -0.197) ( -0.021, 10.953, -0.197) ( 0.00, 0.00, 0.00) 246: 7 (-199.429, 120.899, -77.246) (-199.398, 120.930, -77.238) ( 0.02, 0.03, 0.01) 246: bond ( 13.550, -89.413, -25.470) ( 13.572, -89.390, -25.463) ( 0.16, 0.03, 0.03) 246: angle (-210.716, 213.999, -68.344) (-210.707, 214.006, -68.343) ( 0.00, 0.00, 0.00) 246: torsion ( -4.940, -8.461, 21.084) ( -4.940, -8.461, 21.085) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 8.003, 3.819, 1.416) ( 8.003, 3.819, 1.416) ( 0.00, 0.00, 0.00) 246: electro ( -5.327, 0.956, -5.932) ( -5.327, 0.956, -5.932) ( 0.00, 0.00, 0.00) 246: 8 ( 17.829, -6.420, -8.233) ( 17.839, -6.411, -8.232) ( 0.06, 0.14, 0.02) 246: bond ( 11.126, -10.112, -2.792) ( 11.135, -10.104, -2.792) ( 0.08, 0.07, 0.02) 246: angle ( 2.321, 2.490, 0.248) ( 2.323, 2.491, 0.248) ( 0.07, 0.06, 0.02) 246: torsion ( 1.088, 3.350, -7.788) ( 1.088, 3.350, -7.788) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.125, -0.148, -0.002) ( 0.125, -0.148, -0.002) ( 0.00, 0.00, 0.00) 246: electro ( 3.169, -2.000, 2.101) ( 3.169, -2.000, 2.101) ( 0.00, 0.00, 0.00) 246: 9 (225.116, -321.223, 133.735) (225.145, -321.196, 133.756) ( 0.01, 0.01, 0.02) 246: bond ( -7.634, -53.638, -8.757) ( -7.613, -53.619, -8.744) ( 0.28, 0.04, 0.15) 246: angle (237.812, -267.792, 150.866) (237.821, -267.785, 150.875) ( 0.00, 0.00, 0.01) 246: torsion ( -4.970, -6.735, -10.679) ( -4.970, -6.735, -10.679) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.986, 8.543, 3.971) ( 1.986, 8.543, 3.971) ( 0.00, 0.00, 0.00) 246: electro ( -2.078, -1.601, -1.667) ( -2.078, -1.601, -1.667) ( 0.00, 0.00, 0.00) 246: 10 ( 18.528, 116.935, -222.952) ( 18.546, 116.955, -222.926) ( 0.10, 0.02, 0.01) 246: bond ( 2.883, 25.720, 65.467) ( 2.898, 25.734, 65.488) ( 0.52, 0.05, 0.03) 246: angle ( 6.976, 87.919, -281.200) ( 6.979, 87.924, -281.195) ( 0.04, 0.01, 0.00) 246: torsion ( -3.682, -6.591, -12.371) ( -3.682, -6.591, -12.372) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.215, 13.749, 3.629) ( 13.216, 13.749, 3.630) ( 0.00, 0.00, 0.00) 246: electro ( -0.864, -3.861, 1.523) ( -0.864, -3.861, 1.523) ( 0.00, 0.00, 0.00) 246: 11 (-263.679, 218.198, 51.373) (-263.650, 218.212, 51.399) ( 0.01, 0.01, 0.05) 246: bond (-86.760, 50.952, 24.119) (-86.735, 50.959, 24.136) ( 0.03, 0.01, 0.07) 246: angle (-183.958, 105.187, 32.275) (-183.954, 105.194, 32.283) ( 0.00, 0.01, 0.03) 246: torsion ( 11.442, 45.536, -10.233) ( 11.442, 45.536, -10.232) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.258, 8.635, 3.973) ( -4.258, 8.635, 3.973) ( 0.01, 0.00, 0.00) 246: electro ( -0.145, 7.888, 1.239) ( -0.145, 7.888, 1.239) ( 0.00, 0.00, 0.00) 246: 12 ( 33.659, -29.203, -13.271) ( 33.660, -29.198, -13.260) ( 0.00, 0.02, 0.08) 246: bond ( -2.965, -10.550, -17.782) ( -2.964, -10.546, -17.773) ( 0.01, 0.03, 0.06) 246: angle ( 29.381, -16.906, 5.130) ( 29.382, -16.904, 5.130) ( 0.00, 0.01, 0.01) 246: torsion ( 2.468, -2.830, 1.267) ( 2.468, -2.830, 1.267) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.831, 3.273, -1.575) ( 6.831, 3.273, -1.575) ( 0.00, 0.00, 0.00) 246: electro ( -2.057, -2.191, -0.311) ( -2.057, -2.191, -0.311) ( 0.00, 0.00, 0.00) 246: 13 ( 34.183, -87.299, 25.278) ( 34.193, -87.289, 25.282) ( 0.03, 0.01, 0.02) 246: bond ( 19.364, -72.216, 32.658) ( 19.373, -72.208, 32.660) ( 0.05, 0.01, 0.01) 246: angle ( 19.573, -26.239, -15.673) ( 19.574, -26.237, -15.671) ( 0.01, 0.01, 0.01) 246: torsion ( -2.281, 5.380, 13.128) ( -2.280, 5.380, 13.128) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.612, 3.838, -4.037) ( -2.611, 3.839, -4.037) ( 0.01, 0.00, 0.00) 246: electro ( 0.138, 1.937, -0.798) ( 0.138, 1.937, -0.798) ( 0.00, 0.00, 0.00) 246: 14 (-146.962, -31.735, 70.658) (-146.940, -31.723, 70.705) ( 0.02, 0.04, 0.07) 246: bond ( 62.265, 2.720, -105.238) ( 62.280, 2.728, -105.200) ( 0.02, 0.27, 0.04) 246: angle (-199.845, -11.711, 169.340) (-199.837, -11.707, 169.347) ( 0.00, 0.04, 0.00) 246: torsion ( -3.423, -15.710, 3.976) ( -3.423, -15.710, 3.976) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.752, -0.703, 4.859) ( -9.752, -0.703, 4.859) ( 0.00, 0.00, 0.00) 246: electro ( 3.792, -6.331, -2.278) ( 3.792, -6.331, -2.278) ( 0.00, 0.00, 0.00) 246: 15 ( 26.723, -0.726, -10.858) ( 26.726, -0.714, -10.856) ( 0.01, 0.94, 0.03) 246: bond ( -0.092, -2.399, -0.719) ( -0.092, -2.387, -0.718) ( 0.00, 0.53, 0.08) 246: angle ( 27.753, 2.469, -11.756) ( 27.757, 2.469, -11.754) ( 0.01, 0.01, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.584, 0.797, 0.768) ( -2.584, 0.797, 0.768) ( 0.00, 0.00, 0.00) 246: electro ( 1.645, -1.594, 0.848) ( 1.645, -1.594, 0.848) ( 0.00, 0.00, 0.00) 246: 16 ( 62.434, -27.811, 26.947) ( 62.438, -27.810, 26.973) ( 0.01, 0.01, 0.10) 246: bond ( -3.261, -2.027, 15.582) ( -3.260, -2.027, 15.608) ( 0.03, 0.02, 0.16) 246: angle ( 64.819, -38.061, 8.596) ( 64.821, -38.059, 8.596) ( 0.00, 0.00, 0.00) 246: torsion ( 5.845, 10.205, 2.546) ( 5.845, 10.205, 2.546) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.040, -0.891, 3.300) ( -9.040, -0.891, 3.300) ( 0.00, 0.00, 0.00) 246: electro ( 4.070, 2.963, -3.077) ( 4.070, 2.963, -3.077) ( 0.00, 0.00, 0.00) 246: 17 (-111.712, 155.037, -72.705) (-111.687, 155.062, -72.679) ( 0.02, 0.02, 0.03) 246: bond (-61.202, 38.262, -28.857) (-61.186, 38.277, -28.840) ( 0.03, 0.04, 0.06) 246: angle (-47.834, 110.585, -38.924) (-47.825, 110.594, -38.915) ( 0.02, 0.01, 0.02) 246: torsion ( -2.088, 4.781, -3.597) ( -2.087, 4.781, -3.597) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.438, 2.373, -2.058) ( -0.438, 2.373, -2.058) ( 0.00, 0.00, 0.00) 246: electro ( -0.150, -0.964, 0.730) ( -0.150, -0.964, 0.730) ( 0.00, 0.00, 0.00) 246: 18 ( 13.365, -88.460, -15.407) ( 13.393, -88.432, -15.379) ( 0.21, 0.03, 0.18) 246: bond ( 23.033, -22.454, 19.510) ( 23.051, -22.435, 19.528) ( 0.08, 0.08, 0.10) 246: angle ( -6.494, -32.659, -49.288) ( -6.485, -32.649, -49.279) ( 0.14, 0.03, 0.02) 246: torsion ( -0.656, -30.683, 14.655) ( -0.656, -30.683, 14.655) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.375, -3.297, -0.779) ( 2.376, -3.297, -0.779) ( 0.01, 0.00, 0.01) 246: electro ( -4.893, 0.633, 0.495) ( -4.893, 0.633, 0.495) ( 0.00, 0.00, 0.00) 246: 19 ( 47.130, -64.556, -23.523) ( 47.157, -64.529, -23.496) ( 0.06, 0.04, 0.11) 246: bond ( 6.702, -5.903, -10.312) ( 6.720, -5.885, -10.294) ( 0.28, 0.31, 0.18) 246: angle ( 35.929, -62.760, 8.488) ( 35.937, -62.752, 8.496) ( 0.02, 0.01, 0.09) 246: torsion ( -4.275, -1.779, -0.880) ( -4.275, -1.779, -0.880) ( 0.00, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 8.580, 4.470, -19.699) ( 8.580, 4.470, -19.698) ( 0.00, 0.00, 0.00) 246: electro ( 0.194, 1.417, -1.119) ( 0.194, 1.417, -1.119) ( 0.00, 0.00, 0.00) 246: 20 ( 66.259, 1.063, 44.559) ( 66.286, 1.090, 44.586) ( 0.04, 2.51, 0.06) 246: bond ( 16.923, 12.912, 10.627) ( 16.941, 12.930, 10.646) ( 0.11, 0.14, 0.17) 246: angle ( 41.049, -17.605, 36.677) ( 41.058, -17.597, 36.685) ( 0.02, 0.04, 0.02) 246: torsion ( 4.433, -3.963, -2.662) ( 4.433, -3.963, -2.662) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.881, 8.342, 0.937) ( 3.882, 8.343, 0.937) ( 0.00, 0.00, 0.01) 246: electro ( -0.028, 1.377, -1.020) ( -0.028, 1.377, -1.020) ( 0.00, 0.00, 0.00) 246: 21 (161.649, -26.573, 179.307) (161.666, -26.533, 179.332) ( 0.01, 0.15, 0.01) 246: bond ( 94.358, 10.667, 108.046) ( 94.370, 10.699, 108.064) ( 0.01, 0.30, 0.02) 246: angle ( 77.084, -26.454, 48.484) ( 77.089, -26.445, 48.490) ( 0.01, 0.03, 0.01) 246: torsion ( 4.284, 1.677, -0.546) ( 4.284, 1.677, -0.545) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -9.887, -10.429, 18.556) ( -9.887, -10.429, 18.557) ( 0.00, 0.00, 0.00) 246: electro ( -4.190, -2.034, 4.766) ( -4.190, -2.034, 4.766) ( 0.00, 0.00, 0.00) 246: 22 ( 16.326, -2.093, -12.862) ( 16.329, -2.087, -12.851) ( 0.02, 0.27, 0.09) 246: bond ( 1.374, -9.398, -16.143) ( 1.374, -9.395, -16.132) ( 0.01, 0.04, 0.06) 246: angle ( 13.409, 3.381, -0.828) ( 13.411, 3.383, -0.828) ( 0.02, 0.06, 0.05) 246: torsion ( -2.701, 3.135, -2.055) ( -2.701, 3.135, -2.056) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.563, 3.317, 4.624) ( 4.564, 3.317, 4.624) ( 0.01, 0.00, 0.00) 246: electro ( -0.319, -2.527, 1.540) ( -0.319, -2.527, 1.540) ( 0.00, 0.00, 0.00) 246: 23 (-128.902, -31.257, -143.473) (-128.891, -31.236, -143.459) ( 0.01, 0.07, 0.01) 246: bond (-109.862, -24.952, -130.010) (-109.852, -24.937, -129.998) ( 0.01, 0.06, 0.01) 246: angle (-20.264, 1.010, -19.757) (-20.263, 1.015, -19.755) ( 0.00, 0.53, 0.01) 246: torsion ( -4.483, -0.658, 3.897) ( -4.482, -0.658, 3.897) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.898, -9.446, 3.735) ( 1.898, -9.445, 3.735) ( 0.00, 0.00, 0.00) 246: electro ( 3.808, 2.789, -1.338) ( 3.808, 2.789, -1.338) ( 0.00, 0.00, 0.00) 246: 24 ( -8.341, 2.414, -5.418) ( -8.334, 2.421, -5.413) ( 0.09, 0.30, 0.08) 246: bond ( -6.765, 6.691, -4.681) ( -6.759, 6.697, -4.679) ( 0.09, 0.08, 0.06) 246: angle ( -5.987, -8.347, -3.300) ( -5.986, -8.345, -3.298) ( 0.02, 0.02, 0.05) 246: torsion ( -0.111, 0.005, 0.168) ( -0.111, 0.005, 0.168) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.529, 4.505, 1.876) ( 4.529, 4.505, 1.876) ( 0.00, 0.00, 0.00) 246: electro ( -0.007, -0.441, 0.519) ( -0.007, -0.441, 0.519) ( 0.00, 0.00, 0.00) 246: 25 (-13.180, -6.027, 0.187) (-13.174, -6.021, 0.194) ( 0.04, 0.10, 0.14) 246: bond ( -6.492, -6.842, 7.764) ( -6.488, -6.838, 7.769) ( 0.06, 0.07, 0.07) 246: angle (-10.193, -2.422, -10.642) (-10.192, -2.420, -10.641) ( 0.01, 0.06, 0.01) 246: torsion ( 0.015, -0.018, -0.004) ( 0.015, -0.018, -0.004) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.489, 3.271, 2.934) ( 3.489, 3.271, 2.934) ( 0.00, 0.00, 0.00) 246: electro ( 0.001, -0.016, 0.136) ( 0.001, -0.016, 0.136) ( 0.00, 0.00, 0.00) 246: 26 ( -6.072, -6.676, -11.912) ( -6.068, -6.669, -11.903) ( 0.07, 0.10, 0.07) 246: bond ( 4.340, -7.274, -8.578) ( 4.342, -7.268, -8.571) ( 0.04, 0.07, 0.08) 246: angle (-14.802, -2.793, -5.131) (-14.800, -2.791, -5.130) ( 0.01, 0.05, 0.02) 246: torsion ( -0.025, 0.231, -0.209) ( -0.025, 0.231, -0.209) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.175, 3.216, 1.878) ( 4.175, 3.216, 1.878) ( 0.00, 0.00, 0.00) 246: electro ( 0.239, -0.056, 0.129) ( 0.239, -0.056, 0.129) ( 0.00, 0.00, 0.00) 246: 27 ( -7.930, 6.898, 0.377) ( -7.923, 6.906, 0.381) ( 0.10, 0.11, 0.16) 246: bond ( -7.674, 7.398, -4.124) ( -7.668, 7.404, -4.122) ( 0.08, 0.08, 0.05) 246: angle ( -4.404, 2.474, 12.635) ( -4.403, 2.475, 12.637) ( 0.02, 0.05, 0.02) 246: torsion ( -0.939, -0.873, 0.177) ( -0.939, -0.873, 0.177) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.164, -1.720, -8.316) ( 5.164, -1.720, -8.316) ( 0.00, 0.00, 0.00) 246: electro ( -0.077, -0.380, 0.004) ( -0.077, -0.380, 0.004) ( 0.00, 0.00, 0.00) 246: 28 ( -1.673, 11.278, 8.469) ( -1.664, 11.283, 8.474) ( 0.50, 0.05, 0.06) 246: bond ( 7.443, 5.640, 5.085) ( 7.450, 5.644, 5.088) ( 0.09, 0.07, 0.06) 246: angle (-12.872, 8.560, 9.347) (-12.871, 8.561, 9.348) ( 0.01, 0.02, 0.02) 246: torsion ( -0.163, 0.947, -0.812) ( -0.163, 0.947, -0.812) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.057, -3.384, -5.345) ( 4.057, -3.384, -5.345) ( 0.00, 0.00, 0.00) 246: electro ( -0.138, -0.486, 0.195) ( -0.138, -0.486, 0.195) ( 0.00, 0.00, 0.00) 246: 29 (-11.864, 1.706, 10.277) (-11.860, 1.712, 10.285) ( 0.04, 0.36, 0.08) 246: bond ( -6.333, -7.421, 8.992) ( -6.330, -7.416, 8.999) ( 0.05, 0.06, 0.07) 246: angle ( -7.898, 12.822, 5.013) ( -7.897, 12.824, 5.014) ( 0.02, 0.01, 0.02) 246: torsion ( 0.783, -0.088, 0.479) ( 0.783, -0.088, 0.479) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.664, -3.431, -4.196) ( 1.664, -3.431, -4.196) ( 0.00, 0.00, 0.00) 246: electro ( -0.080, -0.176, -0.010) ( -0.080, -0.176, -0.010) ( 0.00, 0.00, 0.00) 246: 30 ( 7.091, 27.558, 8.407) ( 7.093, 27.573, 8.409) ( 0.03, 0.05, 0.02) 246: bond ( -5.489, 23.059, -2.986) ( -5.488, 23.073, -2.985) ( 0.02, 0.06, 0.01) 246: angle ( 17.936, 7.069, 21.658) ( 17.937, 7.069, 21.659) ( 0.01, 0.00, 0.01) 246: torsion ( 3.204, 0.402, -2.785) ( 3.204, 0.402, -2.785) ( 0.01, 0.00, 0.01) 247: 50 ( 17.226, 18.672, -6.621) ( 17.231, 18.698, -6.616) ( 0.03, 0.14, 0.08) 247: bond ( -2.772, 16.961, -4.316) ( -2.771, 16.986, -4.315) ( 0.02, 0.15, 0.04) 247: angle ( 54.172, 5.135, -14.584) ( 54.176, 5.135, -14.580) ( 0.01, 0.01, 0.02) 247: torsion ( -5.480, -2.138, -4.896) ( -5.480, -2.138, -4.896) ( 0.00, 0.00, 0.00) 247: vdw (-28.694, -1.286, 17.174) (-28.693, -1.286, 17.174) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 51 (-33.794, 24.274, -40.682) (-33.779, 24.281, -40.666) ( 0.04, 0.03, 0.04) 247: bond ( 30.352, -12.598, -34.901) ( 30.363, -12.597, -34.887) ( 0.04, 0.01, 0.04) 247: angle ( 7.193, -51.789, 24.959) ( 7.196, -51.786, 24.961) ( 0.03, 0.01, 0.01) 247: torsion ( 2.155, -1.693, 2.487) ( 2.155, -1.693, 2.487) ( 0.00, 0.00, 0.00) 247: vdw (-73.494, 90.354, -33.227) (-73.493, 90.357, -33.227) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 52 (-24.612, 5.524, -7.324) (-24.604, 5.545, -7.317) ( 0.03, 0.39, 0.09) 247: bond ( -6.378, 13.625, -4.792) ( -6.374, 13.645, -4.789) ( 0.07, 0.15, 0.05) 247: angle (-44.477, -15.621, 14.682) (-44.474, -15.620, 14.686) ( 0.01, 0.01, 0.02) 247: torsion ( 0.169, -0.561, -1.823) ( 0.169, -0.560, -1.822) ( 0.00, 0.00, 0.01) 247: vdw ( 26.075, 8.080, -15.392) ( 26.075, 8.080, -15.392) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 53 ( -3.184, -0.113, 25.824) ( -3.174, -0.108, 25.845) ( 0.33, 0.06, 0.08) 247: bond ( 16.833, 6.637, 27.999) ( 16.840, 6.638, 28.018) ( 0.04, 0.01, 0.07) 247: angle ( 4.218, -41.377, 7.264) ( 4.221, -41.373, 7.265) ( 0.07, 0.01, 0.02) 247: torsion ( -0.788, 0.868, 0.268) ( -0.788, 0.868, 0.268) ( 0.01, 0.01, 0.00) 247: vdw (-23.447, 33.759, -9.706) (-23.447, 33.760, -9.706) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 54 ( 81.847, -35.310, -1.568) ( 81.851, -35.301, -1.545) ( 0.01, 0.03, 1.51) 247: bond ( 1.892, 19.246, -43.726) ( 1.892, 19.250, -43.702) ( 0.01, 0.02, 0.05) 247: angle ( 2.957, 31.634, 14.063) ( 2.960, 31.638, 14.064) ( 0.10, 0.01, 0.00) 247: torsion ( 1.196, 2.026, 0.944) ( 1.196, 2.026, 0.944) ( 0.00, 0.01, 0.00) 247: vdw ( 75.802, -88.217, 27.149) ( 75.804, -88.215, 27.149) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 55 ( 40.739, 13.177, 25.000) ( 40.743, 13.194, 25.016) ( 0.01, 0.13, 0.06) 247: bond ( -1.726, 27.095, 26.826) ( -1.726, 27.109, 26.840) ( 0.01, 0.05, 0.05) 247: angle ( 22.711, 16.443, -15.151) ( 22.714, 16.445, -15.149) ( 0.01, 0.01, 0.01) 247: torsion ( -1.073, -1.363, 1.308) ( -1.073, -1.363, 1.308) ( 0.00, 0.00, 0.01) 247: vdw ( 20.827, -28.997, 12.017) ( 20.828, -28.996, 12.017) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 56 ( 27.462, 23.808, 27.353) ( 27.466, 23.818, 27.375) ( 0.02, 0.04, 0.08) 247: bond ( -0.412, -4.156, 7.487) ( -0.412, -4.149, 7.508) ( 0.00, 0.16, 0.28) 247: angle ( -6.861, 6.239, 3.072) ( -6.858, 6.242, 3.073) ( 0.04, 0.04, 0.03) 247: torsion ( 3.628, -1.846, -0.821) ( 3.628, -1.846, -0.821) ( 0.00, 0.01, 0.00) 247: vdw ( 31.106, 23.571, 17.615) ( 31.107, 23.572, 17.615) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 57 ( 5.898, 8.179, -34.688) ( 5.902, 8.194, -34.671) ( 0.07, 0.18, 0.05) 247: bond ( 0.673, -10.054, -10.747) ( 0.673, -10.041, -10.733) ( 0.00, 0.13, 0.14) 247: angle ( 2.789, 9.500, -8.716) ( 2.792, 9.501, -8.714) ( 0.10, 0.02, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -8.559, -2.971, -7.481) ( -8.559, -2.971, -7.481) ( 0.00, 0.00, 0.00) 246: 31 (-22.391, 51.361, -14.964) (-22.388, 51.382, -14.956) ( 0.01, 0.04, 0.05) 246: bond ( 6.860, 28.919, 15.644) ( 6.861, 28.939, 15.650) ( 0.02, 0.07, 0.04) 246: angle (-41.399, 32.772, -42.455) (-41.398, 32.773, -42.454) ( 0.00, 0.00, 0.00) 246: torsion ( -0.709, -0.239, 0.753) ( -0.709, -0.239, 0.753) ( 0.01, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.115, -10.092, 3.590) ( 3.115, -10.092, 3.590) ( 0.00, 0.00, 0.00) 246: electro ( 9.743, 0.001, 7.505) ( 9.743, 0.001, 7.505) ( 0.00, 0.00, 0.00) 246: ok 32 # gradients 246: ok 33 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 ( 9.939, -1.844, 0.003) ( 9.975, -1.828, 0.032) ( 0.36, 0.87, 0.01) 246: bond ( 3.343, -0.578, 0.071) ( 3.368, -0.569, 0.092) ( 0.74, 0.55, 0.15) 246: angle ( 31.094, -5.861, -0.074) ( 31.105, -5.859, -0.069) ( 0.03, 0.05, 0.04) 246: torsion ( 0.003, 0.006, -0.008) ( 0.003, 0.010, -0.007) ( 0.00, 0.00, 0.00) 246: oop ( 0.000, 0.002, -0.002) ( 0.001, 0.002, -0.002) ( 0.00, 0.00, 0.00) 246: vdw (-23.368, 4.375, 0.016) (-23.367, 4.375, 0.016) ( 0.00, 0.00, 0.00) 246: electro ( -1.134, 0.212, 0.001) ( -1.134, 0.212, 0.001) ( 0.00, 0.00, 0.00) 246: 2 ( 28.160, 0.299, 9.627) ( 28.197, 0.315, 9.655) ( 0.13, 0.47, 0.29) 246: bond ( 65.349, -12.154, 0.347) ( 65.377, -12.146, 0.365) ( 0.04, 0.07, 0.64) 246: angle (-20.964, 1.627, -3.468) (-20.956, 1.630, -3.461) ( 0.04, 0.21, 0.21) 246: torsion ( -0.099, -0.520, 0.342) ( -0.099, -0.517, 0.343) ( 0.00, 0.18, 0.05) 246: oop ( -0.006, -0.032, 0.021) ( -0.006, -0.031, 0.021) ( 0.00, 0.00, 0.00) 246: vdw (-14.566, 12.237, 14.094) (-14.566, 12.237, 14.095) ( 0.00, 0.00, 0.00) 246: electro ( -1.554, -0.858, -1.709) ( -1.554, -0.858, -1.709) ( 0.00, 0.00, 0.00) 246: 3 (-45.505, -25.091, -54.783) (-45.469, -25.075, -54.756) ( 0.08, 0.06, 0.05) 246: bond (-27.912, -50.685, -84.497) (-27.885, -50.676, -84.479) ( 0.10, 0.02, 0.02) 246: angle (-31.895, 12.396, 11.675) (-31.886, 12.399, 11.682) ( 0.03, 0.03, 0.06) 246: torsion ( 0.506, 2.702, -1.797) ( 0.507, 2.705, -1.796) ( 0.01, 0.12, 0.08) 246: oop ( 0.002, 0.010, -0.007) ( 0.002, 0.010, -0.007) ( 0.00, 0.00, 0.00) 246: vdw ( 13.729, 10.503, 19.852) ( 13.730, 10.503, 19.852) ( 0.00, 0.00, 0.00) 246: electro ( 0.064, -0.017, -0.009) ( 0.064, -0.017, -0.009) ( 0.00, 0.00, 0.00) 246: 4 (-100.866, 18.886, 0.220) (-100.831, 18.902, 0.248) ( 0.04, 0.09, 0.62) 246: bond (-146.522, 27.515, 0.261) (-146.497, 27.525, 0.282) ( 0.02, 0.03, 0.54) 246: angle ( 25.917, -4.877, -0.055) ( 25.927, -4.873, -0.049) ( 0.04, 0.08, 0.03) 246: torsion ( -0.011, -0.056, 0.029) ( -0.011, -0.053, 0.030) ( 0.00, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 19.650, -3.678, -0.015) ( 19.651, -3.678, -0.015) ( 0.00, 0.00, 0.00) 246: electro ( 0.100, -0.019, -0.000) ( 0.100, -0.019, -0.000) ( 0.00, 0.00, 0.00) 246: 5 (-33.743, 39.837, 54.381) (-33.706, 39.853, 54.408) ( 0.11, 0.04, 0.05) 246: bond ( -7.951, 57.195, 84.198) ( -7.923, 57.203, 84.216) ( 0.35, 0.01, 0.02) 246: angle (-34.355, -0.042, -11.650) (-34.346, -0.038, -11.643) ( 0.02, 0.02, 0.06) 246: torsion ( -0.473, -2.543, 1.684) ( -0.473, -2.540, 1.686) ( 0.01, 0.12, 0.08) 246: oop ( -0.002, -0.010, 0.007) ( -0.002, -0.010, 0.007) ( 0.00, 0.00, 0.00) 246: vdw ( 8.972, -14.754, -19.867) ( 8.972, -14.754, -19.866) ( 0.00, 0.00, 0.00) 246: electro ( 0.066, -0.008, 0.009) ( 0.066, -0.008, 0.009) ( 0.00, 0.00, 0.00) 246: 6 ( 26.431, -10.762, -9.864) ( 26.468, -10.746, -9.836) ( 0.14, 0.15, 0.28) 246: bond ( 65.571, -12.525, -0.673) ( 65.598, -12.516, -0.654) ( 0.04, 0.07, 1.25) 246: angle (-20.069, 6.056, 3.500) (-20.061, 6.059, 3.507) ( 0.04, 0.05, 0.20) 246: torsion ( 0.082, 0.448, -0.301) ( 0.082, 0.451, -0.299) ( 0.00, 0.16, 0.05) 246: oop ( 0.006, 0.030, -0.021) ( 0.006, 0.031, -0.020) ( 0.00, 0.00, 0.00) 246: vdw (-18.022, -6.133, -14.081) (-18.022, -6.133, -14.080) ( 0.00, 0.00, 0.00) 246: electro ( -1.136, 1.362, 1.710) ( -1.136, 1.362, 1.710) ( 0.00, 0.00, 0.00) 246: 7 ( 43.541, -7.873, -0.219) ( 43.576, -7.844, -0.204) ( 0.08, 0.37, 0.33) 246: bond ( 62.966, -11.497, -0.240) ( 62.991, -11.476, -0.232) ( 0.04, 0.18, 0.18) 246: angle ( -8.473, 1.575, 0.022) ( -8.463, 1.581, 0.026) ( 0.12, 0.39, 0.01) 246: torsion ( -0.001, -0.004, 0.001) ( -0.001, -0.003, 0.004) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.001) ( -0.000, -0.000, -0.001) ( 0.00, 0.00, 0.00) 246: vdw (-10.662, 2.000, -0.002) (-10.661, 2.000, -0.001) ( 0.01, 0.01, 0.00) 246: electro ( -0.290, 0.054, 0.000) ( -0.290, 0.054, 0.000) ( 0.00, 0.00, 0.00) 246: 8 (-21.512, 8.533, -2.211) (-21.475, 8.561, -2.197) ( 0.17, 0.33, 0.64) 246: bond (-14.149, -11.677, 8.514) (-14.120, -11.658, 8.521) ( 0.20, 0.16, 0.08) 246: angle ( 3.182, -11.624, 6.552) ( 3.190, -11.617, 6.555) ( 0.26, 0.06, 0.04) 246: torsion ( 0.078, 0.413, 0.693) ( 0.078, 0.415, 0.697) ( 0.00, 0.06, 0.28) 246: oop ( -0.001, -0.006, -0.011) ( -0.001, -0.006, -0.010) ( 0.00, 0.00, 0.00) 246: vdw (-10.303, 31.921, -18.294) (-10.303, 31.922, -18.294) ( 0.00, 0.00, 0.00) 246: electro ( -0.319, -0.494, 0.334) ( -0.319, -0.494, 0.334) ( 0.00, 0.00, 0.00) 246: 9 ( 48.973, 3.976, -7.897) ( 49.009, 4.004, -7.883) ( 0.08, 0.71, 0.17) 246: bond ( 14.699, -28.406, 15.232) ( 14.727, -28.387, 15.238) ( 0.19, 0.07, 0.04) 246: angle ( 10.705, 7.865, -5.884) ( 10.713, 7.872, -5.882) ( 0.07, 0.09, 0.04) 246: torsion ( -0.002, -0.014, -0.025) ( -0.002, -0.012, -0.021) ( 0.00, 0.00, 0.01) 246: oop ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 246: vdw ( 23.330, 24.333, -17.077) ( 23.331, 24.334, -17.077) ( 0.00, 0.00, 0.00) 246: electro ( 0.241, 0.197, -0.145) ( 0.241, 0.197, -0.145) ( 0.00, 0.00, 0.00) 246: 10 (-17.572, 3.303, 0.003) (-17.551, 3.326, 0.014) ( 0.12, 0.71, 0.00) 246: bond (-30.271, 5.697, -0.018) (-30.260, 5.718, -0.010) ( 0.04, 0.37, 0.01) 246: angle ( -9.557, 1.759, 0.022) ( -9.549, 1.761, 0.022) ( 0.09, 0.08, 0.00) 246: torsion ( 0.002, 0.010, 0.016) ( 0.002, 0.011, 0.019) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 24.936, -4.665, -0.019) ( 24.936, -4.665, -0.019) ( 0.00, 0.00, 0.00) 246: electro ( -2.681, 0.502, 0.002) ( -2.681, 0.502, 0.002) ( 0.00, 0.00, 0.00) 246: 11 ( 43.607, -21.492, 7.803) ( 43.645, -21.465, 7.816) ( 0.09, 0.13, 0.17) 246: bond ( 23.408, 21.070, -15.181) ( 23.439, 21.088, -15.174) ( 0.13, 0.08, 0.04) 246: angle ( 7.071, -11.144, 5.829) ( 7.078, -11.137, 5.832) ( 0.11, 0.07, 0.04) 246: torsion ( -0.004, -0.020, -0.035) ( -0.004, -0.019, -0.031) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.002, -0.004) ( -0.000, -0.002, -0.004) ( 0.00, 0.00, 0.00) 246: vdw ( 12.978, -31.126, 17.049) ( 12.978, -31.125, 17.049) ( 0.00, 0.00, 0.00) 246: electro ( 0.154, -0.270, 0.145) ( 0.154, -0.270, 0.145) ( 0.00, 0.00, 0.00) 246: 12 (-22.333, -0.735, 2.460) (-22.296, -0.706, 2.474) ( 0.16, 2.08, 0.57) 246: bond ( -8.286, 15.559, -8.353) ( -8.259, 15.579, -8.346) ( 0.33, 0.13, 0.08) 246: angle ( 7.262, 9.568, -6.515) ( 7.270, 9.575, -6.513) ( 0.12, 0.07, 0.04) 246: torsion ( -0.075, -0.398, -0.671) ( -0.075, -0.397, -0.667) ( 0.00, 0.06, 0.27) 246: oop ( 0.001, 0.007, 0.012) ( 0.001, 0.008, 0.013) ( 0.00, 0.00, 0.00) 246: vdw (-21.116, -26.047, 18.320) (-21.116, -26.047, 18.321) ( 0.00, 0.00, 0.00) 246: electro ( -0.119, 0.576, -0.333) ( -0.119, 0.576, -0.333) ( 0.00, 0.00, 0.00) 246: 13 ( -3.438, -4.662, 3.047) ( -3.431, -4.655, 3.051) ( 0.21, 0.17, 0.14) 246: bond ( -3.155, -3.471, 2.414) ( -3.150, -3.464, 2.417) ( 0.16, 0.18, 0.12) 246: angle ( -1.327, 0.924, -0.402) ( -1.325, 0.925, -0.401) ( 0.16, 0.10, 0.01) 246: torsion ( -0.010, -0.054, -0.092) ( -0.010, -0.054, -0.091) ( 0.00, 0.00, 0.01) 246: oop ( -0.001, -0.003, -0.005) ( -0.001, -0.003, -0.005) ( 0.00, 0.00, 0.00) 246: vdw ( 0.656, -1.568, 0.868) ( 0.656, -1.568, 0.868) ( 0.00, 0.00, 0.00) 246: electro ( 0.399, -0.490, 0.264) ( 0.399, -0.490, 0.264) ( 0.00, 0.00, 0.00) 246: 14 ( -1.038, -6.052, 3.764) ( -1.032, -6.042, 3.767) ( 0.51, 0.16, 0.10) 246: bond ( 1.964, -3.904, 2.094) ( 1.966, -3.895, 2.096) ( 0.12, 0.24, 0.13) 246: angle ( -4.094, -1.377, 1.278) ( -4.091, -1.377, 1.278) ( 0.07, 0.03, 0.02) 246: torsion ( 0.005, 0.024, 0.041) ( 0.005, 0.025, 0.041) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.289, 0.109, -0.100) ( 0.289, 0.109, -0.100) ( 0.00, 0.00, 0.00) 246: electro ( 0.800, -0.904, 0.451) ( 0.800, -0.904, 0.451) ( 0.00, 0.00, 0.00) 246: 15 ( 39.547, 17.387, 40.717) ( 39.575, 17.414, 40.744) ( 0.07, 0.15, 0.07) 246: bond ( 13.148, 10.036, 18.899) ( 13.166, 10.055, 18.918) ( 0.14, 0.19, 0.10) 246: angle ( 18.212, 2.244, 10.544) ( 18.220, 2.251, 10.551) ( 0.05, 0.30, 0.07) 246: torsion ( -0.087, -0.474, 0.315) ( -0.087, -0.473, 0.315) ( 0.00, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 7.697, 5.765, 11.093) ( 7.697, 5.765, 11.094) ( 0.01, 0.00, 0.00) 246: electro ( 0.577, -0.184, -0.134) ( 0.577, -0.184, -0.134) ( 0.00, 0.00, 0.00) 246: 16 (-21.609, 4.057, 0.045) (-21.594, 4.059, 0.048) ( 0.07, 0.05, 0.01) 246: bond ( -9.567, 1.788, 0.006) ( -9.552, 1.789, 0.006) ( 0.15, 0.03, 0.00) 246: angle ( 0.003, 0.018, 0.026) ( 0.004, 0.019, 0.028) ( 0.00, 0.00, 0.01) 246: torsion ( -0.001, -0.005, 0.003) ( -0.001, -0.005, 0.003) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.001, 0.001) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 246: vdw ( -8.832, 1.655, 0.008) ( -8.832, 1.655, 0.008) ( 0.00, 0.01, 0.00) 246: electro ( -3.213, 0.602, 0.002) ( -3.213, 0.602, 0.002) ( 0.00, 0.00, 0.00) 246: 17 (-27.099, 9.944, 6.522) (-27.093, 9.949, 6.531) ( 0.02, 0.05, 0.14) 246: bond ( -2.971, 3.963, 5.094) ( -2.968, 3.968, 5.102) ( 0.09, 0.12, 0.15) 246: angle ( 5.464, 0.715, 2.624) ( 5.467, 0.715, 2.625) ( 0.05, 0.00, 0.02) 246: torsion ( -0.047, -0.247, 0.164) ( -0.047, -0.246, 0.164) ( 0.00, 0.01, 0.00) 246: oop ( 0.002, 0.010, -0.007) ( 0.002, 0.010, -0.007) ( 0.00, 0.00, 0.00) 246: vdw (-34.109, 3.803, -5.190) (-34.108, 3.803, -5.190) ( 0.00, 0.00, 0.00) 246: electro ( 4.561, 1.700, 3.837) ( 4.561, 1.700, 3.837) ( 0.00, 0.00, 0.00) 246: 18 ( 30.504, -30.620, -40.444) ( 30.531, -30.594, -40.417) ( 0.09, 0.09, 0.07) 246: bond ( 8.498, -14.006, -18.729) ( 8.516, -13.988, -18.710) ( 0.21, 0.13, 0.10) 246: angle ( 16.251, -8.841, -10.464) ( 16.259, -8.834, -10.457) ( 0.05, 0.08, 0.07) 246: torsion ( 0.079, 0.420, -0.281) ( 0.079, 0.420, -0.280) ( 0.00, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 5.071, -8.155, -11.104) ( 5.072, -8.155, -11.103) ( 0.01, 0.00, 0.00) 246: electro ( 0.605, -0.037, 0.133) ( 0.605, -0.037, 0.133) ( 0.00, 0.00, 0.00) 246: 19 (-28.792, 0.611, -6.408) (-28.783, 0.615, -6.399) ( 0.03, 0.21, 0.14) 246: bond ( -4.128, -2.571, -5.000) ( -4.122, -2.569, -4.992) ( 0.13, 0.08, 0.16) 246: angle ( 4.816, -2.635, -2.623) ( 4.818, -2.635, -2.623) ( 0.04, 0.02, 0.02) 246: torsion ( 0.046, 0.249, -0.167) ( 0.046, 0.250, -0.167) ( 0.00, 0.01, 0.00) 246: oop ( -0.002, -0.011, 0.007) ( -0.002, -0.011, 0.007) ( 0.00, 0.00, 0.00) 246: vdw (-33.156, 8.814, 5.218) (-33.155, 8.814, 5.218) ( 0.00, 0.00, 0.00) 246: electro ( 3.632, -3.234, -3.843) ( 3.632, -3.234, -3.843) ( 0.00, 0.00, 0.00) 246: 20 ( -1.417, 5.561, -3.069) ( -1.412, 5.572, -3.065) ( 0.32, 0.19, 0.14) 246: bond ( -1.679, 4.331, -2.400) ( -1.677, 4.341, -2.397) ( 0.09, 0.23, 0.13) 246: angle ( -1.475, -0.360, 0.378) ( -1.472, -0.360, 0.379) ( 0.21, 0.01, 0.01) 246: torsion ( 0.009, 0.049, 0.083) ( 0.009, 0.050, 0.084) ( 0.00, 0.00, 0.01) 246: oop ( 0.000, 0.002, 0.004) ( 0.000, 0.002, 0.004) ( 0.00, 0.00, 0.00) 246: vdw ( 1.178, 1.225, -0.870) ( 1.178, 1.225, -0.870) ( 0.01, 0.00, 0.00) 246: electro ( 0.549, 0.313, -0.265) ( 0.549, 0.313, -0.265) ( 0.00, 0.00, 0.00) 246: 21 ( 1.256, 6.103, -3.821) ( 1.264, 6.110, -3.817) ( 0.66, 0.11, 0.10) 246: bond ( 3.309, 2.985, -2.153) ( 3.315, 2.991, -2.151) ( 0.19, 0.17, 0.12) 246: angle ( -3.351, 2.788, -1.285) ( -3.350, 2.790, -1.284) ( 0.06, 0.05, 0.02) 246: torsion ( -0.003, -0.018, -0.030) ( -0.003, -0.017, -0.029) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.230, -0.206, 0.099) ( 0.230, -0.206, 0.099) ( 0.00, 0.00, 0.00) 246: electro ( 1.072, 0.553, -0.452) ( 1.072, 0.553, -0.452) ( 0.00, 0.00, 0.00) 246: 22 ( 4.183, 6.263, -8.296) ( 4.188, 6.272, -8.290) ( 0.12, 0.14, 0.06) 246: bond ( -3.539, 5.280, -3.647) ( -3.536, 5.287, -3.644) ( 0.09, 0.14, 0.10) 246: angle ( 8.074, -0.673, -8.814) ( 8.075, -0.672, -8.812) ( 0.02, 0.08, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.302, 1.409, 4.011) ( -0.302, 1.409, 4.011) ( 0.00, 0.00, 0.00) 246: electro ( -0.049, 0.248, 0.155) ( -0.049, 0.248, 0.155) ( 0.00, 0.00, 0.00) 246: 23 ( 1.760, -9.935, 3.608) ( 1.768, -9.928, 3.612) ( 0.42, 0.07, 0.11) 246: bond ( -4.804, -4.755, 2.671) ( -4.798, -4.749, 2.673) ( 0.13, 0.13, 0.07) 246: angle ( 6.694, -7.578, -1.445) ( 6.695, -7.577, -1.443) ( 0.02, 0.01, 0.14) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.003, 2.330, 2.074) ( -0.003, 2.330, 2.074) ( 0.00, 0.00, 0.00) 246: electro ( -0.127, 0.067, 0.308) ( -0.127, 0.067, 0.308) ( 0.00, 0.00, 0.00) 246: 24 ( 19.965, -2.748, 0.181) ( 19.972, -2.743, 0.189) ( 0.03, 0.18, 0.14) 246: bond ( 4.537, -3.942, -5.382) ( 4.541, -3.938, -5.375) ( 0.10, 0.09, 0.12) 246: angle (-13.992, -2.615, -9.907) (-13.990, -2.614, -9.906) ( 0.01, 0.06, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 30.374, 3.599, 15.457) ( 30.375, 3.599, 15.457) ( 0.00, 0.00, 0.00) 246: electro ( -0.954, 0.210, 0.013) ( -0.954, 0.210, 0.013) ( 0.00, 0.00, 0.00) 246: 25 ( 1.717, -7.297, 8.165) ( 1.725, -7.292, 8.170) ( 0.48, 0.07, 0.06) 246: bond ( -5.109, -3.600, 3.593) ( -5.102, -3.596, 3.596) ( 0.14, 0.10, 0.10) 246: angle ( 7.750, -2.293, 8.703) ( 7.751, -2.291, 8.705) ( 0.01, 0.08, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.787, -1.191, -3.976) ( -0.787, -1.191, -3.976) ( 0.00, 0.00, 0.00) 246: electro ( -0.137, -0.213, -0.155) ( -0.137, -0.213, -0.155) ( 0.00, 0.00, 0.00) 246: 26 ( 19.499, -4.596, -0.325) ( 19.508, -4.593, -0.317) ( 0.05, 0.07, 0.25) 246: bond ( 5.574, 2.012, 5.268) ( 5.581, 2.013, 5.275) ( 0.13, 0.05, 0.12) 246: angle (-12.096, 7.610, 9.892) (-12.095, 7.612, 9.894) ( 0.01, 0.03, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 26.986, -14.368, -15.473) ( 26.987, -14.368, -15.473) ( 0.00, 0.00, 0.00) 246: electro ( -0.965, 0.151, -0.012) ( -0.965, 0.151, -0.012) ( 0.00, 0.00, 0.00) 246: 27 ( 5.268, 8.549, -3.580) ( 5.272, 8.559, -3.576) ( 0.07, 0.13, 0.11) 246: bond ( -2.739, 6.061, -2.633) ( -2.737, 6.071, -2.631) ( 0.08, 0.17, 0.07) 246: angle ( 9.010, 4.695, 1.457) ( 9.012, 4.695, 1.459) ( 0.02, 0.01, 0.14) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.860, -2.190, -2.096) ( -0.860, -2.190, -2.096) ( 0.00, 0.00, 0.00) 246: electro ( -0.142, -0.017, -0.308) ( -0.142, -0.017, -0.308) ( 0.00, 0.00, 0.00) 246: ok 34 # gradients 246: ok 35 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (217.209, 187.514, 330.409) (217.234, 187.528, 330.435) ( 0.01, 0.01, 0.01) 246: bond (211.685, 155.105, 283.667) (211.703, 155.111, 283.687) ( 0.01, 0.00, 0.01) 246: angle ( -3.964, 51.185, 16.965) ( -3.958, 51.192, 16.972) ( 0.14, 0.01, 0.04) 246: torsion ( -2.356, -23.585, 13.663) ( -2.356, -23.584, 13.663) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 8.690, 6.517, 14.239) ( 8.691, 6.517, 14.240) ( 0.00, 0.00, 0.00) 246: electro ( 3.155, -1.708, 1.874) ( 3.155, -1.708, 1.874) ( 0.00, 0.00, 0.00) 246: 2 (-126.283, 23.279, 78.476) (-126.255, 23.305, 78.505) ( 0.02, 0.11, 0.04) 246: bond (-83.933, 34.546, 58.541) (-83.914, 34.565, 58.559) ( 0.02, 0.05, 0.03) 246: angle (-25.194, -15.507, -5.861) (-25.186, -15.499, -5.852) ( 0.03, 0.05, 0.16) 246: torsion ( -0.848, 3.185, 0.882) ( -0.847, 3.186, 0.883) ( 0.01, 0.01, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-16.236, 0.628, 23.904) (-16.236, 0.628, 23.905) ( 0.00, 0.00, 0.00) 246: electro ( -0.073, 0.426, 1.009) ( -0.073, 0.426, 1.009) ( 0.00, 0.00, 0.00) 246: 3 (-101.376, -91.619, 80.919) (-101.347, -91.592, 80.946) ( 0.03, 0.03, 0.03) 246: bond (-54.446, -68.193, 60.016) (-54.428, -68.175, 60.035) ( 0.03, 0.03, 0.03) 246: angle (-20.728, -10.594, 8.671) (-20.719, -10.586, 8.679) ( 0.04, 0.08, 0.10) 246: torsion ( -0.882, -2.521, -0.598) ( -0.882, -2.520, -0.598) ( 0.04, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-25.166, -10.358, 12.532) (-25.165, -10.358, 12.532) ( 0.00, 0.00, 0.00) 247: torsion ( -3.331, 3.439, -3.426) ( -3.331, 3.439, -3.426) ( 0.00, 0.00, 0.00) 247: vdw ( 5.767, 5.294, -11.798) ( 5.768, 5.295, -11.798) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 58 ( -5.885, -8.931, -52.790) ( -5.882, -8.918, -52.771) ( 0.05, 0.14, 0.04) 247: bond ( 0.309, 11.548, -14.901) ( 0.309, 11.558, -14.884) ( 0.00, 0.09, 0.12) 247: angle ( -5.702, -5.199, -4.155) ( -5.699, -5.197, -4.154) ( 0.05, 0.03, 0.03) 247: torsion ( -0.002, -2.821, -2.191) ( -0.002, -2.821, -2.191) ( 0.00, 0.00, 0.00) 247: vdw ( -0.490, -12.458, -31.543) ( -0.490, -12.458, -31.542) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 59 ( 9.458, -4.008, 17.326) ( 9.462, -3.993, 17.342) ( 0.04, 0.36, 0.10) 247: bond ( -0.858, -7.737, 8.410) ( -0.858, -7.725, 8.425) ( 0.01, 0.16, 0.18) 247: angle ( 0.951, 16.311, 15.052) ( 0.953, 16.313, 15.053) ( 0.28, 0.01, 0.01) 247: torsion ( 6.189, -5.933, -4.809) ( 6.189, -5.933, -4.809) ( 0.00, 0.00, 0.00) 247: vdw ( 3.178, -6.649, -1.327) ( 3.178, -6.649, -1.327) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 60 ( 1.202, 7.569, -16.604) ( 1.206, 7.579, -16.583) ( 0.36, 0.13, 0.13) 247: bond ( -0.741, -4.985, -8.670) ( -0.741, -4.978, -8.650) ( 0.01, 0.14, 0.24) 247: angle ( 19.298, 11.561, -8.309) ( 19.301, 11.564, -8.308) ( 0.02, 0.02, 0.01) 247: torsion ( -4.603, 8.550, -4.527) ( -4.603, 8.550, -4.527) ( 0.00, 0.00, 0.00) 247: vdw (-12.753, -7.557, 4.902) (-12.751, -7.557, 4.902) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 61 ( 0.222, 16.889, -44.780) ( 0.225, 16.915, -44.775) ( 0.08, 0.15, 0.01) 247: bond ( -1.386, 20.860, -6.064) ( -1.386, 20.885, -6.062) ( 0.00, 0.12, 0.03) 247: angle ( -3.325, -5.687, -18.836) ( -3.322, -5.687, -18.834) ( 0.08, 0.00, 0.01) 247: torsion ( 7.603, -5.139, -19.445) ( 7.603, -5.139, -19.445) ( 0.00, 0.00, 0.00) 247: vdw ( -2.671, 6.856, -0.436) ( -2.671, 6.856, -0.435) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 62 (-11.163, -22.804, 19.699) (-11.158, -22.782, 19.706) ( 0.04, 0.10, 0.04) 247: bond ( 5.612, -18.339, 8.759) ( 5.614, -18.318, 8.764) ( 0.03, 0.11, 0.05) 247: angle (-10.045, 6.500, 20.018) (-10.042, 6.501, 20.021) ( 0.02, 0.01, 0.02) 247: torsion ( -6.192, -3.697, -3.761) ( -6.192, -3.697, -3.761) ( 0.00, 0.00, 0.00) 247: vdw ( -0.538, -7.268, -5.318) ( -0.538, -7.268, -5.318) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 63 ( -7.929, 12.434, -29.237) ( -7.923, 12.439, -29.213) ( 0.08, 0.04, 0.08) 247: bond ( -8.382, -4.333, -22.492) ( -8.379, -4.333, -22.469) ( 0.04, 0.02, 0.10) 247: angle (-19.664, 13.436, 4.740) (-19.662, 13.440, 4.740) ( 0.01, 0.03, 0.01) 247: torsion ( 2.869, 6.025, -2.232) ( 2.869, 6.025, -2.232) ( 0.00, 0.00, 0.00) 247: vdw ( 17.248, -2.694, -9.253) ( 17.248, -2.694, -9.253) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 64 ( -4.731, -155.892, 91.597) ( -4.731, -155.852, 91.604) ( 0.01, 0.03, 0.01) 247: bond (-17.037, -174.637, 46.452) (-17.036, -174.598, 46.456) ( 0.01, 0.02, 0.01) 247: angle ( -0.653, 3.633, 13.413) ( -0.653, 3.633, 13.415) ( 0.00, 0.01, 0.02) 247: torsion ( 11.026, -0.870, 0.773) ( 11.026, -0.870, 0.773) ( 0.01, 0.00, 0.00) 247: vdw ( 0.985, 17.333, 30.587) ( 0.985, 17.333, 30.588) ( 0.01, 0.00, 0.00) 247: electro ( 0.947, -1.351, 0.372) ( 0.947, -1.351, 0.372) ( 0.00, 0.00, 0.00) 246: electro ( -0.154, 0.047, 0.298) ( -0.154, 0.047, 0.298) ( 0.00, 0.00, 0.00) 246: 4 ( -7.587, 36.159, -0.492) ( -7.564, 36.172, -0.468) ( 0.31, 0.04, 1.21) 246: bond (-11.839, 36.138, -4.064) (-11.823, 36.143, -4.046) ( 0.14, 0.01, 0.44) 246: angle ( 17.681, -1.428, 19.899) ( 17.688, -1.421, 19.905) ( 0.03, 0.51, 0.03) 246: torsion ( -0.986, 6.062, 0.679) ( -0.986, 6.063, 0.679) ( 0.02, 0.01, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-11.762, -4.223, -14.758) (-11.761, -4.223, -14.758) ( 0.00, 0.00, 0.00) 246: electro ( -0.681, -0.389, -2.248) ( -0.681, -0.389, -2.248) ( 0.00, 0.00, 0.00) 246: 5 (113.406, -39.406, -104.121) (113.433, -39.380, -104.093) ( 0.02, 0.07, 0.03) 246: bond ( 80.632, -35.303, -58.525) ( 80.651, -35.285, -58.507) ( 0.02, 0.05, 0.03) 246: angle ( 14.870, -2.308, -19.874) ( 14.879, -2.300, -19.865) ( 0.06, 0.34, 0.05) 246: torsion ( 0.122, -2.184, -1.544) ( 0.123, -2.184, -1.543) ( 0.00, 0.02, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 17.613, 0.250, -24.092) ( 17.613, 0.250, -24.092) ( 0.00, 0.00, 0.00) 246: electro ( 0.168, 0.139, -0.086) ( 0.168, 0.139, -0.086) ( 0.00, 0.00, 0.00) 246: 6 ( 82.709, 70.383, -104.203) ( 82.737, 70.410, -104.175) ( 0.03, 0.04, 0.03) 246: bond ( 54.952, 69.597, -60.182) ( 54.970, 69.616, -60.163) ( 0.03, 0.03, 0.03) 246: angle ( -1.834, -9.782, -31.818) ( -1.825, -9.774, -31.809) ( 0.50, 0.08, 0.03) 246: torsion ( 2.726, 0.984, -0.073) ( 2.727, 0.984, -0.073) ( 0.01, 0.04, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 26.430, 8.903, -12.275) ( 26.431, 8.903, -12.275) ( 0.00, 0.00, 0.00) 246: electro ( 0.434, 0.681, 0.145) ( 0.434, 0.681, 0.145) ( 0.00, 0.00, 0.00) 246: 7 (-81.366, -64.293, -112.248) (-81.339, -64.266, -112.220) ( 0.03, 0.04, 0.02) 246: bond (-49.826, -55.720, -73.216) (-49.807, -55.701, -73.197) ( 0.04, 0.03, 0.03) 246: angle (-25.623, -7.932, -31.950) (-25.615, -7.925, -31.942) ( 0.03, 0.10, 0.03) 246: torsion ( -0.025, 0.016, 0.004) ( -0.025, 0.016, 0.004) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.002, -0.680, -7.188) ( -6.002, -0.680, -7.188) ( 0.00, 0.00, 0.00) 246: electro ( 0.110, 0.023, 0.102) ( 0.110, 0.023, 0.102) ( 0.00, 0.00, 0.00) 246: 8 (-84.909, -97.294, -211.537) (-84.886, -97.258, -211.505) ( 0.03, 0.04, 0.02) 246: bond (-64.569, -159.993, -205.131) (-64.552, -159.963, -205.104) ( 0.03, 0.02, 0.01) 246: angle (-21.580, 8.756, 34.671) (-21.575, 8.761, 34.675) ( 0.02, 0.06, 0.01) 246: torsion ( 0.086, 52.261, -45.427) ( 0.086, 52.262, -45.427) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.392, 1.198, 4.044) ( 1.392, 1.198, 4.044) ( 0.01, 0.01, 0.00) 246: electro ( -0.238, 0.483, 0.307) ( -0.238, 0.483, 0.307) ( 0.00, 0.00, 0.00) 246: 9 ( 47.135, -20.490, -79.746) ( 47.138, -20.486, -79.727) ( 0.01, 0.02, 0.02) 246: bond ( 23.650, 25.473, -69.737) ( 23.653, 25.475, -69.719) ( 0.01, 0.01, 0.03) 246: angle ( 7.691, -29.676, -8.234) ( 7.692, -29.675, -8.234) ( 0.01, 0.00, 0.00) 246: torsion ( 10.115, -17.057, -2.801) ( 10.114, -17.057, -2.801) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.061, 1.628, 4.528) ( 6.061, 1.628, 4.528) ( 0.00, 0.00, 0.00) 246: electro ( -0.382, -0.857, -3.501) ( -0.382, -0.857, -3.501) ( 0.00, 0.00, 0.00) 246: 10 ( 22.449, -68.998, 4.633) ( 22.451, -68.976, 4.636) ( 0.01, 0.03, 0.05) 247: 65 (-537.893, -18.195, 271.533) (-537.846, -18.192, 271.542) ( 0.01, 0.01, 0.00) 247: bond (-318.057, -51.391, 7.139) (-318.016, -51.389, 7.141) ( 0.01, 0.01, 0.02) 247: angle ( 1.368, -2.834, 40.547) ( 1.369, -2.834, 40.550) ( 0.00, 0.00, 0.01) 247: torsion ( -6.132, 38.351, 2.887) ( -6.132, 38.352, 2.887) ( 0.00, 0.00, 0.00) 247: vdw (-212.980, -2.100, 217.731) (-212.975, -2.101, 217.735) ( 0.00, 0.03, 0.00) 247: electro ( -2.092, -0.220, 3.229) ( -2.092, -0.220, 3.229) ( 0.00, 0.00, 0.00) 247: ok 14 # gradients 247: ok 15 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (166.260, -124.810, -60.501) (166.338, -124.744, -60.475) ( 0.05, 0.05, 0.04) 247: bond (-26.883, -147.726, -90.013) (-26.816, -147.672, -89.993) ( 0.25, 0.04, 0.02) 247: angle (190.780, 16.997, 38.464) (190.792, 17.008, 38.468) ( 0.01, 0.06, 0.01) 247: torsion ( 1.643, 5.589, -9.269) ( 1.643, 5.590, -9.267) ( 0.00, 0.01, 0.02) 247: vdw ( 1.136, 0.027, 0.420) ( 1.136, 0.027, 0.420) ( 0.00, 0.00, 0.00) 247: electro ( -0.417, 0.303, -0.103) ( -0.417, 0.303, -0.103) ( 0.00, 0.00, 0.00) 247: 2 (-297.442, 96.061, 13.554) (-297.360, 96.124, 13.580) ( 0.03, 0.07, 0.19) 247: bond (-129.145, 138.142, 49.204) (-129.074, 138.195, 49.224) ( 0.06, 0.04, 0.04) 247: angle (-166.550, -33.495, -45.045) (-166.539, -33.485, -45.042) ( 0.01, 0.03, 0.01) 247: torsion ( -2.365, -6.507, 10.958) ( -2.365, -6.506, 10.961) ( 0.01, 0.01, 0.02) 247: vdw ( 0.160, -1.116, -0.733) ( 0.160, -1.116, -0.733) ( 0.00, 0.00, 0.00) 247: electro ( 0.459, -0.964, -0.830) ( 0.459, -0.964, -0.830) ( 0.00, 0.00, 0.00) 247: 3 ( -9.374, 44.901, 10.754) ( -9.292, 44.960, 10.779) ( 0.88, 0.13, 0.23) 247: bond ( 19.883, -14.941, 1.560) ( 19.953, -14.890, 1.579) ( 0.35, 0.34, 1.26) 247: angle (-34.122, 46.870, 31.364) (-34.110, 46.878, 31.368) ( 0.03, 0.02, 0.01) 247: torsion ( 4.521, 13.586, -22.108) ( 4.521, 13.587, -22.106) ( 0.00, 0.01, 0.01) 247: vdw ( 0.345, -0.614, -0.062) ( 0.345, -0.614, -0.062) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-124.051, -215.622, -108.163) (-123.960, -215.557, -108.137) ( 0.07, 0.03, 0.02) 247: bond (-57.493, -82.447, -62.641) (-57.414, -82.393, -62.620) ( 0.14, 0.06, 0.03) 247: angle (-65.102, -130.239, -41.819) (-65.090, -130.228, -41.816) ( 0.02, 0.01, 0.01) 247: torsion ( -0.390, -1.566, -3.103) ( -0.390, -1.565, -3.101) ( 0.00, 0.06, 0.06) 247: vdw ( -1.066, -1.370, -0.600) ( -1.066, -1.370, -0.600) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-96.373, -281.104, -157.053) (-96.286, -281.046, -157.025) ( 0.09, 0.02, 0.02) 247: bond ( 35.164, -188.308, -106.187) ( 35.239, -188.263, -106.166) ( 0.21, 0.02, 0.02) 247: angle (-128.195, -84.691, -69.739) (-128.183, -84.679, -69.735) ( 0.01, 0.01, 0.01) 247: torsion ( -3.475, -11.451, 18.110) ( -3.475, -11.450, 18.112) ( 0.00, 0.01, 0.01) 247: vdw ( 0.841, 0.225, 0.383) ( 0.841, 0.225, 0.383) ( 0.00, 0.00, 0.00) 247: electro ( -0.709, 3.122, 0.381) ( -0.709, 3.122, 0.381) ( 0.00, 0.00, 0.00) 247: 6 (135.392, 231.857, 41.616) (135.485, 231.944, 41.619) ( 0.07, 0.04, 0.01) 247: bond ( 63.298, 98.989, -13.836) ( 63.378, 99.062, -13.837) ( 0.13, 0.07, 0.00) 247: angle ( 70.873, 127.550, 32.227) ( 70.885, 127.563, 32.227) ( 0.02, 0.01, 0.00) 247: torsion ( 0.010, 3.655, 22.816) ( 0.010, 3.656, 22.819) ( 0.00, 0.01, 0.01) 247: vdw ( 1.212, 1.662, 0.409) ( 1.212, 1.662, 0.409) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (123.249, 325.409, -71.352) (123.338, 325.486, -71.347) ( 0.07, 0.02, 0.01) 247: bond (-21.296, 213.826, -37.139) (-21.219, 213.888, -37.137) ( 0.36, 0.03, 0.01) 247: angle (144.375, 118.592, -11.308) (144.387, 118.608, -11.308) ( 0.01, 0.01, 0.01) 247: torsion ( 0.299, -3.704, -22.297) ( 0.299, -3.704, -22.295) ( 0.00, 0.00, 0.01) 247: vdw ( -0.931, -0.274, 0.221) ( -0.931, -0.274, 0.221) ( 0.00, 0.00, 0.00) 247: electro ( 0.801, -3.032, -0.829) ( 0.801, -3.032, -0.829) ( 0.00, 0.00, 0.00) 247: 8 (-173.670, 141.930, 1.489) (-173.590, 142.018, 1.491) ( 0.05, 0.06, 0.11) 247: bond ( 35.279, 170.381, -15.404) ( 35.347, 170.453, -15.405) ( 0.19, 0.04, 0.00) 247: angle (-208.439, -28.829, 7.088) (-208.427, -28.814, 7.087) ( 0.01, 0.05, 0.01) 247: torsion ( 0.235, 0.811, 9.763) ( 0.235, 0.811, 9.766) ( 0.00, 0.00, 0.03) 247: vdw ( -1.182, -0.171, 0.176) ( -1.182, -0.171, 0.176) ( 0.00, 0.00, 0.00) 247: electro ( 0.437, -0.262, -0.133) ( 0.437, -0.262, -0.133) ( 0.00, 0.00, 0.00) 247: 9 (301.704, -104.522, 13.779) (301.791, -104.438, 13.781) ( 0.03, 0.08, 0.01) 247: bond (124.141, -150.653, 6.072) (124.216, -150.583, 6.071) ( 0.06, 0.05, 0.01) 247: angle (177.366, 42.267, -6.026) (177.378, 42.281, -6.026) ( 0.01, 0.03, 0.01) 247: torsion ( 0.582, 1.393, 14.392) ( 0.582, 1.393, 14.396) ( 0.00, 0.00, 0.02) 247: vdw ( -0.014, 1.237, -0.267) ( -0.014, 1.237, -0.267) ( 0.00, 0.00, 0.00) 247: electro ( -0.371, 1.234, -0.393) ( -0.371, 1.234, -0.393) ( 0.00, 0.00, 0.00) 247: 10 ( -9.031, -36.657, -1.954) ( -8.947, -36.577, -1.951) ( 0.93, 0.22, 0.14) 247: bond (-21.325, 13.809, 7.460) (-21.252, 13.878, 7.459) ( 0.34, 0.50, 0.01) 247: angle ( 13.345, -47.372, 23.451) ( 13.357, -47.361, 23.452) ( 0.09, 0.02, 0.00) 247: torsion ( -0.719, -3.690, -33.032) ( -0.719, -3.690, -33.029) ( 0.00, 0.00, 0.01) 247: vdw ( -0.333, 0.596, 0.167) ( -0.333, 0.596, 0.168) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (-336.506, -447.392, 64.729) (-336.459, -447.339, 64.774) ( 0.01, 0.01, 0.07) 247: bond (-120.022, -230.427, 22.445) (-119.988, -230.387, 22.481) ( 0.03, 0.02, 0.16) 247: angle (-216.364, -217.710, 35.994) (-216.351, -217.696, 36.003) ( 0.01, 0.01, 0.02) 247: torsion ( 0.153, 0.539, 5.921) ( 0.153, 0.539, 5.921) ( 0.00, 0.00, 0.01) 247: vdw ( -0.273, 0.205, 0.368) ( -0.273, 0.205, 0.368) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 ( 46.356, -46.809, 0.794) ( 46.380, -46.798, 0.794) ( 0.05, 0.02, 0.02) 247: bond ( 11.340, 6.435, -0.602) ( 11.362, 6.442, -0.602) ( 0.19, 0.11, 0.00) 247: angle ( 29.821, -51.986, 6.570) ( 29.823, -51.982, 6.570) ( 0.01, 0.01, 0.01) 247: torsion ( -0.085, -0.362, -5.488) ( -0.085, -0.362, -5.487) ( 0.00, 0.00, 0.02) 247: vdw ( 2.804, -0.728, 0.159) ( 2.804, -0.728, 0.159) ( 0.00, 0.00, 0.00) 247: electro ( 2.476, -0.168, 0.155) ( 2.476, -0.168, 0.155) ( 0.00, 0.00, 0.00) 247: 13 (-43.636, -62.095, 8.066) (-43.618, -62.079, 8.066) ( 0.04, 0.03, 0.01) 247: bond ( 6.870, -6.372, 0.515) ( 6.886, -6.359, 0.515) ( 0.23, 0.21, 0.00) 247: angle (-50.625, -54.068, 9.337) (-50.623, -54.064, 9.337) ( 0.00, 0.01, 0.00) 247: torsion ( -0.046, -0.212, -2.002) ( -0.046, -0.212, -2.002) ( 0.00, 0.00, 0.04) 247: vdw ( 0.398, -0.320, -0.098) ( 0.398, -0.320, -0.098) ( 0.00, 0.00, 0.00) 247: electro ( -0.233, -1.124, 0.314) ( -0.233, -1.124, 0.314) ( 0.00, 0.00, 0.00) 247: 14 (308.284, 404.996, 275.217) (308.332, 405.047, 275.264) ( 0.02, 0.01, 0.02) 247: bond (107.886, 194.366, 137.411) (107.920, 194.406, 137.448) ( 0.03, 0.02, 0.03) 246: bond ( 7.092, -71.602, 11.127) ( 7.093, -71.580, 11.128) ( 0.01, 0.03, 0.01) 246: angle ( 25.125, -1.719, -27.071) ( 25.126, -1.719, -27.069) ( 0.01, 0.00, 0.01) 246: torsion ( -6.304, 2.008, 16.933) ( -6.304, 2.008, 16.933) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.779, 5.337, 5.446) ( -3.778, 5.337, 5.446) ( 0.01, 0.00, 0.00) 246: electro ( 0.314, -3.023, -1.802) ( 0.314, -3.023, -1.802) ( 0.00, 0.00, 0.00) 246: 11 (-91.763, -3.754, 31.627) (-91.731, -3.718, 31.634) ( 0.04, 0.95, 0.02) 246: bond (-115.629, 31.876, 11.097) (-115.607, 31.903, 11.099) ( 0.02, 0.09, 0.02) 246: angle ( 40.424, -23.656, -4.616) ( 40.434, -23.649, -4.615) ( 0.02, 0.03, 0.02) 246: torsion ( -3.029, -18.365, 20.747) ( -3.029, -18.365, 20.751) ( 0.00, 0.00, 0.02) 246: oop ( 0.009, 0.135, -0.575) ( 0.009, 0.135, -0.575) ( 0.00, 0.00, 0.01) 246: vdw (-16.945, 5.217, 3.707) (-16.944, 5.217, 3.707) ( 0.00, 0.00, 0.00) 246: electro ( 3.407, 1.040, 1.267) ( 3.407, 1.040, 1.267) ( 0.00, 0.00, 0.00) 246: 12 (-16.917, 0.368, -2.780) (-16.880, 0.403, -2.771) ( 0.22, 1.29, 0.30) 246: bond ( -8.035, -13.185, -3.327) ( -8.007, -13.159, -3.325) ( 0.34, 0.20, 0.05) 246: angle ( 6.508, 32.172, 7.826) ( 6.518, 32.180, 7.827) ( 0.14, 0.03, 0.01) 246: torsion ( 0.011, 0.610, -2.907) ( 0.011, 0.610, -2.901) ( 0.00, 0.02, 0.19) 246: oop ( -0.005, 0.065, -0.288) ( -0.005, 0.066, -0.287) ( 0.00, 0.00, 0.02) 246: vdw (-15.584, -19.036, -3.769) (-15.584, -19.036, -3.769) ( 0.00, 0.00, 0.00) 246: electro ( 0.187, -0.259, -0.316) ( 0.187, -0.259, -0.316) ( 0.00, 0.00, 0.00) 246: 13 ( 11.270, -95.690, -41.525) ( 11.309, -95.656, -41.516) ( 0.34, 0.04, 0.02) 246: bond ( 28.466, 16.983, 3.015) ( 28.496, 17.006, 3.017) ( 0.11, 0.14, 0.06) 246: angle ( 3.964, -95.948, -24.764) ( 3.972, -95.938, -24.764) ( 0.19, 0.01, 0.00) 246: torsion ( -0.141, 1.849, -7.029) ( -0.141, 1.849, -7.023) ( 0.00, 0.02, 0.08) 246: oop ( -0.018, 0.196, -0.781) ( -0.018, 0.196, -0.780) ( 0.00, 0.00, 0.06) 246: vdw (-21.669, -18.406, -11.846) (-21.669, -18.406, -11.846) ( 0.00, 0.00, 0.00) 246: electro ( 0.669, -0.364, -0.121) ( 0.669, -0.364, -0.121) ( 0.00, 0.00, 0.00) 246: 14 (-140.188, 98.160, 73.920) (-140.150, 98.198, 73.928) ( 0.03, 0.04, 0.01) 246: bond (-82.770, 58.919, 18.111) (-82.743, 58.946, 18.113) ( 0.03, 0.05, 0.01) 246: angle (-60.873, 53.130, 19.549) (-60.863, 53.140, 19.549) ( 0.02, 0.02, 0.00) 246: torsion ( -0.379, -11.956, 45.545) ( -0.379, -11.955, 45.551) ( 0.00, 0.00, 0.01) 246: oop ( 0.007, -0.075, 0.304) ( 0.007, -0.075, 0.304) ( 0.00, 0.00, 0.00) 246: vdw ( 6.636, -3.098, -8.519) ( 6.637, -3.098, -8.519) ( 0.01, 0.01, 0.00) 246: electro ( -2.809, 1.240, -1.070) ( -2.809, 1.240, -1.070) ( 0.00, 0.00, 0.00) 246: 15 (232.724, 225.345, 56.880) (232.765, 225.385, 56.890) ( 0.02, 0.02, 0.02) 246: bond (208.431, 186.218, 54.498) (208.462, 186.248, 54.502) ( 0.01, 0.02, 0.01) 246: angle ( 7.144, 16.209, 14.422) ( 7.154, 16.218, 14.423) ( 0.14, 0.06, 0.01) 246: torsion ( 0.685, 3.522, -15.763) ( 0.685, 3.523, -15.757) ( 0.01, 0.02, 0.03) 246: oop ( 0.010, 0.195, -0.759) ( 0.010, 0.195, -0.758) ( 0.00, 0.00, 0.00) 246: vdw ( 19.014, 18.420, 4.425) ( 19.014, 18.420, 4.425) ( 0.00, 0.00, 0.00) 246: electro ( -2.560, 0.781, 0.056) ( -2.560, 0.781, 0.056) ( 0.00, 0.00, 0.00) 246: 16 (-27.321, 38.880, -5.682) (-27.282, 38.914, -5.673) ( 0.14, 0.09, 0.16) 246: bond ( 42.454, -0.705, 1.999) ( 42.484, -0.682, 2.001) ( 0.07, 1.62, 0.10) 246: angle (-46.803, 20.940, 4.807) (-46.795, 20.950, 4.808) ( 0.02, 0.05, 0.01) 246: torsion ( 0.606, 6.259, -22.040) ( 0.606, 6.259, -22.034) ( 0.00, 0.01, 0.03) 247: angle (200.875, 213.264, 133.858) (200.889, 213.276, 133.868) ( 0.01, 0.01, 0.01) 247: torsion ( -0.757, -2.266, 3.729) ( -0.757, -2.265, 3.730) ( 0.00, 0.00, 0.01) 247: vdw ( 0.279, -0.369, 0.219) ( 0.280, -0.369, 0.219) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 (-44.147, 39.860, 11.226) (-44.125, 39.868, 11.231) ( 0.05, 0.02, 0.05) 247: bond (-10.739, -4.993, -5.106) (-10.719, -4.989, -5.102) ( 0.19, 0.09, 0.09) 247: angle (-28.282, 44.652, 15.753) (-28.281, 44.655, 15.753) ( 0.01, 0.01, 0.00) 247: torsion ( -0.151, -0.525, 0.829) ( -0.151, -0.525, 0.830) ( 0.00, 0.01, 0.05) 247: vdw ( -2.532, 0.555, -0.056) ( -2.532, 0.555, -0.056) ( 0.00, 0.00, 0.00) 247: electro ( -2.442, 0.172, -0.193) ( -2.442, 0.172, -0.193) ( 0.00, 0.00, 0.00) 247: 16 ( 38.574, 50.678, 41.047) ( 38.592, 50.691, 41.050) ( 0.05, 0.03, 0.01) 247: bond ( -7.428, 5.996, 2.147) ( -7.412, 6.007, 2.149) ( 0.22, 0.18, 0.06) 247: angle ( 46.271, 43.224, 38.774) ( 46.273, 43.226, 38.776) ( 0.00, 0.01, 0.00) 247: torsion ( 0.129, 0.355, -0.548) ( 0.129, 0.355, -0.548) ( 0.00, 0.01, 0.03) 247: vdw ( -0.555, 0.208, -0.096) ( -0.555, 0.208, -0.096) ( 0.00, 0.00, 0.00) 247: electro ( 0.157, 0.896, 0.769) ( 0.157, 0.896, 0.769) ( 0.00, 0.00, 0.00) 247: 17 ( 71.455, 185.399, 120.770) ( 71.462, 185.421, 120.779) ( 0.01, 0.01, 0.01) 247: bond (-22.457, 185.029, 106.355) (-22.456, 185.051, 106.363) ( 0.01, 0.01, 0.01) 247: angle ( 88.062, -0.258, 19.043) ( 88.067, -0.258, 19.043) ( 0.01, 0.00, 0.00) 247: torsion ( 0.626, 1.802, -3.004) ( 0.626, 1.802, -3.003) ( 0.00, 0.01, 0.02) 247: vdw ( -0.029, -0.116, -2.337) ( -0.029, -0.116, -2.337) ( 0.00, 0.00, 0.00) 247: electro ( 5.254, -1.057, 0.713) ( 5.254, -1.057, 0.713) ( 0.00, 0.00, 0.00) 247: 18 (-95.247, -212.706, 45.184) (-95.241, -212.677, 45.186) ( 0.01, 0.01, 0.01) 247: bond ( 9.361, -210.545, 37.181) ( 9.362, -210.516, 37.183) ( 0.01, 0.01, 0.01) 247: angle (-100.474, -5.213, -4.217) (-100.469, -5.213, -4.217) ( 0.01, 0.00, 0.00) 247: torsion ( -0.174, 2.516, 14.287) ( -0.174, 2.516, 14.287) ( 0.00, 0.00, 0.00) 247: vdw ( 1.452, -0.345, -2.215) ( 1.452, -0.345, -2.215) ( 0.02, 0.00, 0.00) 247: electro ( -5.413, 0.881, 0.149) ( -5.413, 0.881, 0.149) ( 0.00, 0.00, 0.00) 247: 19 (-84.920, -114.935, -67.235) (-84.906, -114.922, -67.225) ( 0.02, 0.01, 0.01) 247: bond ( 31.603, -31.324, -25.273) ( 31.614, -31.314, -25.266) ( 0.03, 0.03, 0.03) 247: angle (-117.689, -84.412, -42.640) (-117.686, -84.410, -42.637) ( 0.00, 0.00, 0.01) 247: torsion ( -0.008, 0.089, -0.120) ( -0.008, 0.089, -0.120) ( 0.00, 0.00, 0.00) 247: vdw ( 1.174, 0.712, 0.799) ( 1.174, 0.712, 0.799) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (-48.107, -72.235, -69.589) (-48.093, -72.229, -69.574) ( 0.03, 0.01, 0.02) 247: bond (-37.263, 17.611, -41.184) (-37.252, 17.614, -41.170) ( 0.03, 0.02, 0.03) 247: angle (-10.876, -89.876, -28.612) (-10.874, -89.872, -28.611) ( 0.02, 0.00, 0.01) 247: torsion ( -0.096, -0.011, 0.083) ( -0.096, -0.011, 0.083) ( 0.00, 0.00, 0.00) 247: vdw ( 0.129, 0.040, 0.124) ( 0.129, 0.040, 0.124) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (-41.116, -95.064, -44.322) (-41.105, -95.050, -44.310) ( 0.03, 0.01, 0.03) 247: bond (-30.031, -36.047, 31.516) (-30.023, -36.035, 31.525) ( 0.03, 0.03, 0.03) 247: angle ( -8.296, -60.639, -77.213) ( -8.293, -60.637, -77.210) ( 0.03, 0.00, 0.00) 247: torsion ( 0.117, -0.076, 0.025) ( 0.117, -0.076, 0.025) ( 0.00, 0.00, 0.00) 247: vdw ( -2.906, 1.698, 1.350) ( -2.905, 1.698, 1.350) ( 0.00, 0.00, 0.00) 246: oop ( -0.035, -0.633, 2.435) ( -0.035, -0.633, 2.436) ( 0.00, 0.00, 0.03) 246: vdw (-23.572, 13.279, 7.220) (-23.571, 13.280, 7.220) ( 0.00, 0.01, 0.00) 246: electro ( 0.029, -0.261, -0.103) ( 0.029, -0.261, -0.103) ( 0.00, 0.00, 0.00) 246: 17 (-34.139, -6.910, -2.404) (-34.120, -6.891, -2.401) ( 0.06, 0.27, 0.15) 246: bond (-16.269, 56.492, 4.485) (-16.253, 56.504, 4.485) ( 0.10, 0.02, 0.00) 246: angle ( -8.391, -9.142, 8.465) ( -8.388, -9.137, 8.467) ( 0.04, 0.06, 0.02) 246: torsion ( -0.305, -1.435, 4.824) ( -0.305, -1.435, 4.825) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -6.781, -48.880, -28.596) ( -6.781, -48.878, -28.596) ( 0.00, 0.00, 0.00) 246: electro ( -2.393, -3.945, 8.418) ( -2.393, -3.945, 8.418) ( 0.00, 0.00, 0.00) 246: 18 (146.126, -63.992, -117.741) (146.152, -63.966, -117.715) ( 0.02, 0.04, 0.02) 246: bond ( 60.804, -67.609, -76.802) ( 60.822, -67.592, -76.783) ( 0.03, 0.03, 0.02) 246: angle ( 50.538, 6.452, -38.791) ( 50.546, 6.461, -38.783) ( 0.02, 0.14, 0.02) 246: torsion ( 1.410, -0.020, -3.542) ( 1.410, -0.020, -3.541) ( 0.02, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 31.773, -2.217, 1.567) ( 31.774, -2.217, 1.566) ( 0.00, 0.00, 0.00) 246: electro ( 1.601, -0.598, -0.174) ( 1.601, -0.598, -0.174) ( 0.00, 0.00, 0.00) 246: 19 (-12.259, -67.676, 112.616) (-12.232, -67.650, 112.643) ( 0.22, 0.04, 0.02) 246: bond ( -2.071, -43.907, 76.597) ( -2.053, -43.888, 76.616) ( 0.91, 0.04, 0.02) 246: angle (-16.897, -16.971, 31.218) (-16.889, -16.963, 31.226) ( 0.04, 0.04, 0.03) 246: torsion ( -1.851, -0.486, -0.491) ( -1.851, -0.485, -0.491) ( 0.01, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 9.091, -6.867, 5.637) ( 9.091, -6.867, 5.637) ( 0.00, 0.00, 0.00) 246: electro ( -0.531, 0.554, -0.344) ( -0.531, 0.554, -0.344) ( 0.00, 0.00, 0.00) 246: 20 (-413.734, -385.279, -145.698) (-413.703, -385.240, -145.691) ( 0.01, 0.01, 0.01) 246: bond (-403.589, -414.547, -130.803) (-403.566, -414.518, -130.800) ( 0.01, 0.01, 0.00) 246: angle ( 12.719, 44.244, -14.018) ( 12.726, 44.252, -14.017) ( 0.05, 0.02, 0.01) 246: torsion ( -3.504, 1.828, 4.666) ( -3.503, 1.828, 4.670) ( 0.03, 0.01, 0.08) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-22.891, -15.051, -5.706) (-22.890, -15.050, -5.706) ( 0.00, 0.00, 0.00) 246: electro ( 3.530, -1.753, 0.162) ( 3.530, -1.753, 0.162) ( 0.00, 0.00, 0.00) 246: 21 ( 69.031, 439.916, 27.194) ( 69.050, 439.947, 27.199) ( 0.03, 0.01, 0.02) 246: bond (105.109, 354.969, 20.611) (105.119, 354.998, 20.612) ( 0.01, 0.01, 0.01) 246: angle (-38.753, 59.524, -20.345) (-38.746, 59.526, -20.344) ( 0.02, 0.00, 0.00) 246: torsion (-12.418, 1.804, 34.038) (-12.418, 1.804, 34.040) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 19.702, 24.237, -7.723) ( 19.703, 24.238, -7.723) ( 0.01, 0.00, 0.00) 246: electro ( -4.609, -0.619, 0.613) ( -4.609, -0.619, 0.613) ( 0.00, 0.00, 0.00) 246: 22 (-319.638, -256.278, -99.435) (-319.607, -256.241, -99.429) ( 0.01, 0.01, 0.01) 246: bond (-309.224, -196.267, -103.821) (-309.200, -196.240, -103.818) ( 0.01, 0.01, 0.00) 246: angle ( 0.878, -118.814, 10.313) ( 0.885, -118.806, 10.312) ( 0.62, 0.01, 0.01) 246: torsion ( 0.525, -0.158, -1.178) ( 0.526, -0.158, -1.175) ( 0.02, 0.00, 0.22) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-12.918, 62.748, -5.117) (-12.918, 62.750, -5.117) ( 0.00, 0.00, 0.00) 246: electro ( 1.100, -3.786, 0.369) ( 1.100, -3.786, 0.369) ( 0.00, 0.00, 0.00) 246: 23 ( 60.304, 68.497, 13.003) ( 60.331, 68.534, 13.011) ( 0.05, 0.05, 0.06) 246: bond (141.796, -93.271, 59.722) (141.815, -93.242, 59.724) ( 0.01, 0.03, 0.00) 246: angle (-104.386, 137.818, -48.662) (-104.379, 137.825, -48.660) ( 0.01, 0.01, 0.00) 246: torsion ( 1.522, -0.256, -4.043) ( 1.522, -0.256, -4.039) ( 0.03, 0.00, 0.09) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 20.305, 23.042, 6.134) ( 20.305, 23.042, 6.134) ( 0.00, 0.00, 0.00) 246: electro ( 1.068, 1.164, -0.149) ( 1.068, 1.164, -0.149) ( 0.00, 0.00, 0.00) 246: 24 (-67.290, -9.475, -27.056) (-67.249, -9.439, -27.047) ( 0.06, 0.38, 0.04) 246: bond (-30.633, -25.999, -10.170) (-30.600, -25.974, -10.164) ( 0.11, 0.10, 0.06) 246: angle (-40.862, 34.218, -18.476) (-40.855, 34.229, -18.475) ( 0.02, 0.03, 0.01) 246: torsion ( -0.394, 0.036, 1.094) ( -0.393, 0.036, 1.097) ( 0.02, 0.00, 0.30) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 13.081, -11.814, 5.483) ( 13.082, -11.814, 5.483) ( 0.00, 0.00, 0.00) 246: electro ( -8.482, -5.916, -4.988) ( -8.482, -5.916, -4.988) ( 0.00, 0.00, 0.00) 246: 25 (301.981, -105.140, 116.200) (302.013, -105.103, 116.207) ( 0.01, 0.04, 0.01) 246: bond (247.377, -1.415, 95.326) (247.401, -1.391, 95.329) ( 0.01, 1.69, 0.00) 246: angle ( 9.935, -102.399, 11.221) ( 9.941, -102.388, 11.222) ( 0.07, 0.01, 0.01) 246: torsion ( 13.540, -2.349, -35.450) ( 13.541, -2.349, -35.447) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 30.680, -16.006, 36.690) ( 30.680, -16.003, 36.690) ( 0.00, 0.02, 0.00) 246: electro ( 0.449, 17.028, 8.413) ( 0.449, 17.028, 8.413) ( 0.00, 0.00, 0.00) 246: 26 (-48.127, -45.901, -29.735) (-48.099, -45.868, -29.729) ( 0.06, 0.07, 0.02) 246: bond (-163.266, 6.242, -62.884) (-163.245, 6.266, -62.882) ( 0.01, 0.38, 0.00) 246: angle (113.983, -50.151, 14.930) (113.990, -50.142, 14.932) ( 0.01, 0.02, 0.01) 246: torsion ( -0.811, -0.077, 1.712) ( -0.811, -0.077, 1.714) ( 0.02, 0.00, 0.10) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.135, -1.084, 16.039) ( 2.135, -1.084, 16.039) ( 0.00, 0.00, 0.00) 246: electro ( -0.168, -0.831, 0.468) ( -0.168, -0.831, 0.468) ( 0.00, 0.00, 0.00) 246: 27 (215.505, 204.878, 65.902) (215.528, 204.903, 65.906) ( 0.01, 0.01, 0.01) 246: bond (178.269, 51.348, 64.154) (178.290, 51.364, 64.157) ( 0.01, 0.03, 0.00) 246: angle ( 32.662, 155.314, 0.163) ( 32.664, 155.322, 0.163) ( 0.01, 0.01, 0.00) 246: torsion ( 0.325, -0.050, -0.859) ( 0.325, -0.050, -0.857) ( 0.01, 0.00, 0.12) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.602, -4.752, 2.472) ( 3.602, -4.752, 2.472) ( 0.01, 0.00, 0.00) 246: electro ( 0.647, 3.018, -0.028) ( 0.647, 3.018, -0.028) ( 0.00, 0.00, 0.00) 246: 28 ( 79.090, -164.187, 43.019) ( 79.122, -164.151, 43.028) ( 0.04, 0.02, 0.02) 246: bond ( 29.223, 52.556, 7.122) ( 29.247, 52.583, 7.125) ( 0.08, 0.05, 0.05) 246: angle ( 52.488, -224.762, 35.854) ( 52.495, -224.753, 35.856) ( 0.01, 0.00, 0.01) 246: torsion ( -0.555, 0.089, 1.476) ( -0.554, 0.089, 1.479) ( 0.02, 0.00, 0.19) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.194, 1.911, -1.050) ( -1.194, 1.911, -1.050) ( 0.00, 0.00, 0.00) 246: electro ( -0.872, 6.019, -0.383) ( -0.872, 6.019, -0.383) ( 0.00, 0.00, 0.00) 246: 29 (-19.992, 10.306, -8.017) (-19.972, 10.313, -8.013) ( 0.10, 0.07, 0.05) 246: bond (-23.634, 9.974, -9.891) (-23.614, 9.978, -9.888) ( 0.08, 0.04, 0.04) 246: angle ( 4.940, 12.856, 1.179) ( 4.940, 12.859, 1.179) ( 0.01, 0.03, 0.00) 246: torsion ( 0.275, -0.037, -0.696) ( 0.275, -0.037, -0.695) ( 0.00, 0.00, 0.05) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.348, -10.851, -0.672) ( -3.348, -10.850, -0.672) ( 0.00, 0.00, 0.00) 246: electro ( 1.774, -1.636, 2.064) ( 1.774, -1.636, 2.064) ( 0.00, 0.00, 0.00) 246: 30 ( 28.568, 118.247, 2.614) ( 28.595, 118.276, 2.641) ( 0.10, 0.02, 1.02) 246: bond ( 26.025, 1.138, 9.660) ( 26.044, 1.157, 9.680) ( 0.07, 1.67, 0.20) 246: angle ( -2.031, 105.588, -8.649) ( -2.023, 105.597, -8.642) ( 0.39, 0.01, 0.08) 246: torsion ( -0.265, 0.055, 0.711) ( -0.265, 0.055, 0.711) ( 0.00, 0.00, 0.03) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.833, 12.485, 0.837) ( 4.833, 12.485, 0.837) ( 0.00, 0.00, 0.00) 246: electro ( 0.006, -1.018, 0.054) ( 0.006, -1.018, 0.054) ( 0.00, 0.00, 0.00) 246: 31 (-118.008, -29.322, 76.846) (-117.980, -29.294, 76.872) ( 0.02, 0.09, 0.03) 246: bond (-60.072, 25.033, 41.153) (-60.053, 25.052, 41.171) ( 0.03, 0.07, 0.04) 246: angle (-57.334, -58.998, 31.573) (-57.325, -58.989, 31.580) ( 0.01, 0.01, 0.02) 246: torsion ( -0.243, 0.254, 1.067) ( -0.243, 0.254, 1.068) ( 0.01, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.358, 4.364, 3.091) ( -0.358, 4.364, 3.091) ( 0.00, 0.00, 0.00) 246: electro ( -0.002, 0.024, -0.038) ( -0.002, 0.024, -0.038) ( 0.00, 0.00, 0.00) 246: 32 ( 21.941, 96.497, -38.091) ( 21.968, 96.524, -38.065) ( 0.12, 0.03, 0.07) 246: bond ( 6.399, 78.046, -23.251) ( 6.418, 78.064, -23.233) ( 0.29, 0.02, 0.08) 246: angle ( 17.859, 16.298, -11.339) ( 17.867, 16.307, -11.331) ( 0.04, 0.05, 0.07) 246: torsion ( 0.103, 1.410, -0.517) ( 0.103, 1.410, -0.517) ( 0.00, 0.02, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.984, 0.260, -2.257) ( -1.984, 0.260, -2.257) ( 0.00, 0.00, 0.00) 246: electro ( -0.436, 0.483, -0.726) ( -0.436, 0.483, -0.726) ( 0.00, 0.00, 0.00) 246: 33 ( -0.203, -82.320, -65.334) ( -0.177, -82.294, -65.307) ( 0.54, 0.03, 0.04) 246: bond ( 0.483, -51.986, -43.271) ( 0.502, -51.967, -43.253) ( 0.92, 0.04, 0.04) 246: angle ( 0.825, -30.598, -10.208) ( 0.833, -30.590, -10.201) ( 0.59, 0.03, 0.07) 246: torsion ( 0.419, -0.019, 0.041) ( 0.420, -0.019, 0.041) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.518, 0.166, -11.482) ( -1.518, 0.166, -11.481) ( 0.00, 0.00, 0.00) 246: electro ( -0.414, 0.116, -0.413) ( -0.414, 0.116, -0.413) ( 0.00, 0.00, 0.00) 246: 34 ( 28.189, -56.951, -1.521) ( 28.193, -56.938, -1.518) ( 0.02, 0.02, 0.17) 246: bond ( 22.740, -62.102, 3.059) ( 22.742, -62.090, 3.059) ( 0.01, 0.02, 0.01) 246: angle ( 8.629, 2.796, -7.421) ( 8.631, 2.796, -7.419) ( 0.03, 0.01, 0.03) 246: torsion ( 0.979, 0.305, -1.082) ( 0.979, 0.305, -1.082) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.351, 1.650, 3.098) ( -4.351, 1.650, 3.098) ( 0.00, 0.00, 0.00) 246: electro ( 0.192, 0.402, 0.825) ( 0.192, 0.402, 0.825) ( 0.00, 0.00, 0.00) 246: 35 ( 23.961, 22.658, -58.454) ( 23.965, 22.662, -58.442) ( 0.01, 0.02, 0.02) 246: bond ( 15.695, 24.384, -60.652) ( 15.696, 24.386, -60.640) ( 0.01, 0.01, 0.02) 246: angle ( 12.639, -1.024, 2.860) ( 12.642, -1.022, 2.861) ( 0.02, 0.18, 0.02) 246: torsion ( -0.438, 0.017, -0.107) ( -0.438, 0.017, -0.107) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.537, -1.666, -1.662) ( -4.537, -1.666, -1.662) ( 0.00, 0.00, 0.00) 246: electro ( 0.603, 0.947, 1.106) ( 0.603, 0.947, 1.106) ( 0.00, 0.00, 0.00) 246: 36 ( 63.903, 1.291, -9.759) ( 63.917, 1.294, -9.756) ( 0.02, 0.20, 0.03) 246: bond ( 65.790, -3.836, -9.623) ( 65.804, -3.836, -9.622) ( 0.02, 0.01, 0.01) 246: angle ( -0.500, 5.235, -5.508) ( -0.500, 5.237, -5.506) ( 0.00, 0.04, 0.04) 246: torsion ( -0.009, -0.753, 0.237) ( -0.009, -0.753, 0.237) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.878, 0.527, 4.101) ( -0.878, 0.527, 4.101) ( 0.00, 0.00, 0.00) 246: electro ( -0.499, 0.119, 1.034) ( -0.499, 0.119, 1.034) ( 0.00, 0.00, 0.00) 246: 37 ( -9.271, 60.648, -9.108) ( -9.268, 60.661, -9.105) ( 0.04, 0.02, 0.03) 246: bond (-17.431, 62.884, -7.653) (-17.430, 62.897, -7.652) ( 0.01, 0.02, 0.01) 246: angle ( 8.734, 1.467, -7.843) ( 8.736, 1.467, -7.841) ( 0.02, 0.01, 0.03) 246: torsion ( 1.973, 0.481, -0.542) ( 1.973, 0.481, -0.542) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.279, -4.010, 5.533) ( -2.279, -4.010, 5.533) ( 0.00, 0.00, 0.00) 246: electro ( -0.268, -0.174, 1.397) ( -0.268, -0.174, 1.397) ( 0.00, 0.00, 0.00) 246: 38 (-16.458, -18.347, 59.777) (-16.455, -18.343, 59.789) ( 0.02, 0.02, 0.02) 246: bond (-14.915, -23.631, 60.460) (-14.914, -23.629, 60.472) ( 0.01, 0.01, 0.02) 246: angle ( -6.543, 3.669, -0.179) ( -6.540, 3.671, -0.179) ( 0.04, 0.05, 0.01) 246: torsion ( 0.344, -0.544, -0.128) ( 0.344, -0.544, -0.128) ( 0.00, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 3.903, 1.685, -0.006) ( 3.903, 1.685, -0.006) ( 0.00, 0.00, 0.00) 246: electro ( 0.753, 0.475, -0.371) ( 0.753, 0.475, -0.371) ( 0.00, 0.00, 0.00) 246: 39 (-25.095, 56.685, 3.665) (-25.091, 56.698, 3.668) ( 0.02, 0.02, 0.07) 246: bond (-22.755, 61.554, -3.326) (-22.753, 61.566, -3.326) ( 0.01, 0.02, 0.01) 246: angle ( -9.216, -3.000, 7.499) ( -9.213, -3.000, 7.501) ( 0.02, 0.01, 0.03) 246: torsion ( -0.769, -0.189, 1.757) ( -0.769, -0.189, 1.757) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.660, -1.802, -2.186) ( 6.660, -1.802, -2.186) ( 0.00, 0.00, 0.00) 246: electro ( 0.985, 0.123, -0.078) ( 0.985, 0.123, -0.078) ( 0.00, 0.00, 0.00) 246: 40 (-65.919, -0.873, 16.880) (-65.906, -0.870, 16.884) ( 0.02, 0.22, 0.02) 246: bond (-66.810, 3.375, 10.478) (-66.796, 3.376, 10.478) ( 0.02, 0.01, 0.01) 246: angle ( 1.413, -5.003, 10.616) ( 1.413, -5.001, 10.618) ( 0.01, 0.04, 0.02) 246: torsion ( -0.080, -0.246, -0.431) ( -0.080, -0.246, -0.431) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.119, -0.016, -3.644) ( -0.119, -0.016, -3.644) ( 0.00, 0.00, 0.00) 246: electro ( -0.323, 1.018, -0.138) ( -0.323, 1.018, -0.138) ( 0.00, 0.00, 0.00) 246: 41 ( 12.030, -60.568, 14.896) ( 12.034, -60.555, 14.899) ( 0.03, 0.02, 0.02) 246: bond ( 18.258, -63.191, 7.895) ( 18.259, -63.178, 7.896) ( 0.01, 0.02, 0.01) 246: angle ( -7.961, -0.960, 10.725) ( -7.959, -0.960, 10.727) ( 0.02, 0.02, 0.02) 246: torsion ( -0.871, -0.147, 0.836) ( -0.871, -0.147, 0.836) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.556, 3.027, -5.023) ( 2.556, 3.028, -5.023) ( 0.00, 0.00, 0.00) 246: electro ( 0.049, 0.702, 0.463) ( 0.049, 0.702, 0.463) ( 0.00, 0.00, 0.00) 246: 42 ( -9.460, 56.170, 5.244) ( -9.457, 56.183, 5.247) ( 0.04, 0.02, 0.05) 246: bond (-16.292, 56.900, -2.500) (-16.291, 56.913, -2.500) ( 0.01, 0.02, 0.01) 246: angle ( 9.866, 3.363, 12.263) ( 9.868, 3.363, 12.266) ( 0.02, 0.00, 0.02) 246: torsion ( -0.024, -0.006, 0.020) ( -0.023, -0.006, 0.020) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -2.417, -3.477, -3.780) ( -2.417, -3.477, -3.780) ( 0.00, 0.00, 0.00) 246: electro ( -0.594, -0.611, -0.759) ( -0.594, -0.611, -0.759) ( 0.00, 0.00, 0.00) 246: 43 ( 58.073, -1.976, 2.889) ( 58.087, -1.973, 2.891) ( 0.02, 0.13, 0.10) 246: bond ( 58.666, -3.179, -7.229) ( 58.680, -3.178, -7.228) ( 0.02, 0.01, 0.01) 246: angle ( 1.855, 1.963, 14.192) ( 1.855, 1.965, 14.195) ( 0.00, 0.11, 0.02) 246: torsion ( 0.010, -0.247, 0.188) ( 0.010, -0.247, 0.188) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.755, -0.423, -3.552) ( -1.755, -0.423, -3.552) ( 0.00, 0.00, 0.00) 246: electro ( -0.703, -0.090, -0.712) ( -0.703, -0.090, -0.712) ( 0.00, 0.00, 0.00) 246: 44 ( -2.553, -17.136, 55.620) ( -2.550, -17.132, 55.633) ( 0.12, 0.02, 0.02) 246: bond (-11.943, -20.711, 54.183) (-11.942, -20.709, 54.195) ( 0.01, 0.01, 0.02) 246: angle ( 12.833, 4.621, 4.594) ( 12.835, 4.623, 4.595) ( 0.02, 0.04, 0.01) 246: torsion ( 0.297, -0.227, -0.021) ( 0.297, -0.227, -0.021) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.070, -0.743, -2.352) ( -3.070, -0.743, -2.352) ( 0.00, 0.00, 0.00) 246: electro ( -0.671, -0.076, -0.784) ( -0.671, -0.076, -0.784) ( 0.00, 0.00, 0.00) 246: 45 ( 27.102, 34.168, 8.332) ( 27.110, 34.177, 8.334) ( 0.03, 0.03, 0.02) 246: bond ( 31.075, 30.987, 6.962) ( 31.082, 30.994, 6.962) ( 0.02, 0.02, 0.01) 246: angle ( -4.082, 3.876, 0.958) ( -4.081, 3.877, 0.958) ( 0.04, 0.04, 0.01) 246: torsion ( -0.015, 0.166, -0.674) ( -0.015, 0.166, -0.673) ( 0.00, 0.00, 0.09) 246: oop ( 0.003, -0.054, 0.224) ( 0.003, -0.054, 0.224) ( 0.00, 0.00, 0.00) 246: vdw ( 1.670, -2.499, 0.018) ( 1.670, -2.499, 0.018) ( 0.01, 0.00, 0.00) 246: electro ( -1.550, 1.693, 0.844) ( -1.550, 1.693, 0.844) ( 0.00, 0.00, 0.00) 246: 46 ( 1.997, 42.527, 11.125) ( 2.002, 42.540, 11.127) ( 0.24, 0.03, 0.02) 246: bond ( -7.218, 36.059, 9.415) ( -7.217, 36.072, 9.416) ( 0.01, 0.04, 0.01) 246: angle ( 33.747, 6.444, 1.182) ( 33.751, 6.444, 1.182) ( 0.01, 0.00, 0.00) 246: torsion ( 0.021, -0.670, 2.582) ( 0.021, -0.670, 2.583) ( 0.00, 0.01, 0.05) 246: oop ( 0.010, -0.092, 0.361) ( 0.010, -0.092, 0.361) ( 0.00, 0.00, 0.00) 246: vdw (-23.961, -0.589, -2.766) (-23.960, -0.589, -2.766) ( 0.00, 0.00, 0.00) 246: electro ( -0.603, 1.374, 0.352) ( -0.603, 1.374, 0.352) ( 0.00, 0.00, 0.00) 246: 47 ( 9.288, -38.945, -13.120) ( 9.293, -38.932, -13.118) ( 0.05, 0.03, 0.02) 246: bond ( 11.188, -38.851, -10.799) ( 11.189, -38.839, -10.798) ( 0.01, 0.03, 0.01) 246: angle ( 14.206, 3.896, 0.711) ( 14.210, 3.896, 0.711) ( 0.02, 0.01, 0.00) 246: torsion ( -0.076, 1.280, -4.685) ( -0.076, 1.281, -4.684) ( 0.00, 0.01, 0.03) 246: oop ( 0.019, 0.262, -0.924) ( 0.019, 0.262, -0.924) ( 0.00, 0.00, 0.01) 246: vdw (-16.315, -5.485, 2.850) (-16.314, -5.485, 2.850) ( 0.00, 0.00, 0.00) 246: electro ( 0.265, -0.047, -0.273) ( 0.265, -0.047, -0.273) ( 0.00, 0.00, 0.00) 246: 48 (-60.403, -5.035, 21.722) (-60.390, -5.032, 21.726) ( 0.02, 0.06, 0.01) 246: bond (-64.105, -1.676, 15.103) (-64.092, -1.676, 15.104) ( 0.02, 0.02, 0.01) 246: angle ( 1.444, -3.785, 5.707) ( 1.444, -3.783, 5.710) ( 0.01, 0.06, 0.04) 246: torsion ( 0.505, 0.134, 2.158) ( 0.505, 0.134, 2.158) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.001, 0.692, -0.603) ( -0.001, 0.692, -0.603) ( 0.00, 0.00, 0.00) 246: electro ( 1.754, -0.400, -0.643) ( 1.754, -0.400, -0.643) ( 0.00, 0.00, 0.00) 246: 49 ( 6.656, 15.165, 51.683) ( 6.661, 15.170, 51.692) ( 0.08, 0.03, 0.02) 246: bond ( 22.852, 22.698, 38.776) ( 22.855, 22.701, 38.784) ( 0.01, 0.01, 0.02) 246: angle (-29.656, -3.057, 19.263) (-29.655, -3.055, 19.263) ( 0.01, 0.07, 0.00) 246: torsion ( 0.273, 0.567, -0.493) ( 0.274, 0.567, -0.493) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 11.331, -3.920, -4.538) ( 11.332, -3.920, -4.538) ( 0.00, 0.00, 0.00) 246: electro ( 1.856, -1.123, -1.324) ( 1.856, -1.123, -1.324) ( 0.00, 0.00, 0.00) 246: 50 (-19.312, 60.730, -2.431) (-19.308, 60.742, -2.429) ( 0.02, 0.02, 0.11) 246: bond (-22.985, 58.803, 4.459) (-22.983, 58.816, 4.459) ( 0.01, 0.02, 0.01) 246: angle ( 3.694, 2.016, -7.548) ( 3.695, 2.016, -7.546) ( 0.05, 0.01, 0.03) 246: torsion ( 0.076, 0.028, 0.025) ( 0.076, 0.028, 0.025) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.302, -0.163, 0.422) ( -0.302, -0.163, 0.422) ( 0.00, 0.00, 0.00) 246: electro ( 0.205, 0.045, 0.211) ( 0.205, 0.045, 0.211) ( 0.00, 0.00, 0.00) 246: 51 ( 53.698, 9.523, -25.687) ( 53.711, 9.525, -25.684) ( 0.02, 0.03, 0.01) 246: bond ( 54.442, 4.355, -16.447) ( 54.455, 4.355, -16.445) ( 0.02, 0.01, 0.01) 246: angle ( -6.098, 11.773, -17.075) ( -6.098, 11.775, -17.073) ( 0.00, 0.02, 0.01) 246: torsion ( -0.007, -0.072, -0.041) ( -0.007, -0.072, -0.041) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 4.822, -6.594, 7.573) ( 4.822, -6.594, 7.573) ( 0.00, 0.00, 0.00) 246: electro ( 0.538, 0.061, 0.303) ( 0.538, 0.061, 0.303) ( 0.00, 0.00, 0.00) 246: 52 (-27.923, -23.350, -51.173) (-27.918, -23.345, -51.164) ( 0.02, 0.02, 0.02) 246: bond (-31.596, -29.504, -46.330) (-31.592, -29.500, -46.323) ( 0.01, 0.01, 0.02) 246: angle ( 3.410, 6.639, -6.557) ( 3.412, 6.641, -6.556) ( 0.04, 0.03, 0.02) 246: torsion ( -0.166, 0.111, 0.042) ( -0.166, 0.111, 0.042) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.262, -0.833, 1.812) ( 0.262, -0.833, 1.812) ( 0.00, 0.00, 0.00) 246: electro ( 0.167, 0.237, -0.139) ( 0.167, 0.237, -0.139) ( 0.00, 0.00, 0.00) 246: 53 ( 12.631, -21.243, -9.249) ( 12.635, -21.226, -9.248) ( 0.03, 0.08, 0.01) 246: bond ( 1.828, -15.373, 2.162) ( 1.828, -15.357, 2.162) ( 0.01, 0.11, 0.01) 246: angle ( 8.565, 1.417, 2.819) ( 8.568, 1.417, 2.819) ( 0.04, 0.01, 0.02) 246: torsion ( 1.344, -0.306, -3.313) ( 1.344, -0.306, -3.312) ( 0.01, 0.00, 0.02) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.500, 1.282, 1.201) ( 0.500, 1.282, 1.201) ( 0.00, 0.00, 0.00) 246: electro ( 0.394, -8.262, -12.118) ( 0.394, -8.262, -12.118) ( 0.00, 0.00, 0.00) 246: 54 (-14.784, -53.918, -1.022) (-14.780, -53.905, -1.020) ( 0.03, 0.02, 0.23) 246: bond (-18.551, -53.271, -2.633) (-18.549, -53.258, -2.632) ( 0.01, 0.02, 0.01) 246: angle ( 1.160, -0.437, 0.650) ( 1.162, -0.437, 0.652) ( 0.18, 0.01, 0.13) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.402, -0.248, 0.900) ( 2.402, -0.248, 0.900) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 ( 48.033, 132.616, -33.392) ( 48.055, 132.620, -33.383) ( 0.05, 0.00, 0.03) 247: bond ( 52.153, 0.195, -26.552) ( 52.176, 0.195, -26.546) ( 0.04, 0.01, 0.02) 247: angle ( -4.570, 133.610, -8.002) ( -4.569, 133.613, -7.999) ( 0.02, 0.00, 0.03) 247: torsion ( -0.007, 0.002, -0.014) ( -0.007, 0.002, -0.014) ( 0.00, 0.00, 0.00) 247: vdw ( 0.456, -1.191, 1.177) ( 0.456, -1.191, 1.177) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 ( 67.190, 61.826, 20.295) ( 67.195, 61.834, 20.318) ( 0.01, 0.01, 0.11) 247: bond ( 10.644, 23.335, 49.973) ( 10.645, 23.340, 49.996) ( 0.01, 0.02, 0.04) 247: angle ( 56.121, 38.461, -29.908) ( 56.125, 38.464, -29.907) ( 0.01, 0.01, 0.00) 247: torsion ( -0.016, 0.008, -0.000) ( -0.016, 0.008, -0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 0.441, 0.023, 0.229) ( 0.442, 0.023, 0.229) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 ( 96.003, 97.427, -55.295) ( 96.013, 97.441, -55.284) ( 0.01, 0.02, 0.02) 247: bond (-24.478, 34.857, -28.158) (-24.471, 34.870, -28.149) ( 0.03, 0.04, 0.03) 247: angle (121.516, 63.126, -27.444) (121.519, 63.128, -27.442) ( 0.00, 0.00, 0.01) 247: torsion ( -0.027, 0.017, 0.045) ( -0.027, 0.017, 0.045) ( 0.00, 0.00, 0.00) 247: vdw ( -1.008, -0.574, 0.262) ( -1.008, -0.574, 0.262) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 16 # gradients 247: ok 17 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (763.591, 211.175, -129.938) (763.686, 211.256, -129.900) ( 0.01, 0.04, 0.03) 247: bond (760.485, 208.396, -131.774) (760.571, 208.466, -131.744) ( 0.01, 0.03, 0.02) 247: angle ( -0.453, 0.202, -0.114) ( -0.445, 0.212, -0.107) ( 0.38, 0.20, 0.07) 247: torsion ( -0.043, 0.042, 0.071) ( -0.042, 0.043, 0.072) ( 0.00, 0.00, 0.01) 247: vdw ( 3.603, 2.535, 1.878) ( 3.603, 2.535, 1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 ( -0.090, 681.819, -423.091) ( 0.000, 681.921, -423.070) ( 0.82, 0.01, 0.01) 247: bond ( -0.078, 677.006, -423.243) ( 0.000, 677.098, -423.228) ( 0.61, 0.01, 0.00) 247: angle ( -0.011, 0.072, -0.295) ( 0.000, 0.082, -0.291) ( 0.01, 0.07, 0.12) 247: torsion ( -0.001, -0.016, -0.052) ( -0.000, -0.015, -0.050) ( 0.00, 0.00, 0.01) 247: vdw ( -0.000, 4.757, 0.499) ( 0.000, 4.757, 0.499) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 ( -0.090, -682.022, -423.091) ( 0.000, -681.921, -423.070) ( 0.82, 0.01, 0.01) 247: bond ( -0.078, -677.189, -423.243) ( 0.000, -677.098, -423.228) ( 0.61, 0.01, 0.00) 247: angle ( -0.011, -0.091, -0.295) ( 0.000, -0.082, -0.291) ( 0.01, 0.09, 0.12) 247: torsion ( -0.001, 0.015, -0.052) ( 0.000, 0.015, -0.050) ( 0.00, 0.00, 0.01) 247: vdw ( -0.000, -4.757, 0.499) ( -0.000, -4.757, 0.499) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (763.591, -211.337, -129.938) (763.686, -211.256, -129.900) ( 0.01, 0.04, 0.03) 247: bond (760.485, -208.536, -131.774) (760.571, -208.466, -131.744) ( 0.01, 0.03, 0.02) 247: angle ( -0.453, -0.222, -0.114) ( -0.445, -0.212, -0.107) ( 0.38, 0.22, 0.07) 247: torsion ( -0.043, -0.044, 0.071) ( -0.042, -0.043, 0.072) ( 0.00, 0.00, 0.01) 246: electro ( 0.204, 0.038, 0.061) ( 0.204, 0.038, 0.061) ( 0.00, 0.00, 0.00) 246: 55 (-30.552, 23.822, 40.548) (-30.546, 23.827, 40.555) ( 0.02, 0.02, 0.02) 246: bond (-33.370, 29.535, 35.300) (-33.365, 29.539, 35.305) ( 0.02, 0.01, 0.02) 246: angle ( -0.150, -6.357, 5.176) ( -0.149, -6.355, 5.177) ( 0.02, 0.02, 0.03) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 2.225, 1.329, -0.281) ( 2.225, 1.329, -0.281) ( 0.00, 0.00, 0.00) 246: electro ( 0.743, -0.686, 0.354) ( 0.743, -0.686, 0.354) ( 0.00, 0.00, 0.00) 246: 56 ( 4.719, 16.441, -53.633) ( 4.722, 16.445, -53.621) ( 0.06, 0.03, 0.02) 246: bond ( -0.778, 22.587, -52.280) ( -0.778, 22.589, -52.268) ( 0.02, 0.01, 0.02) 246: angle ( 3.260, -6.806, -2.990) ( 3.263, -6.805, -2.989) ( 0.07, 0.02, 0.01) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 1.444, 1.315, 1.369) ( 1.444, 1.315, 1.369) ( 0.00, 0.00, 0.00) 246: electro ( 0.792, -0.655, 0.268) ( 0.792, -0.655, 0.268) ( 0.00, 0.00, 0.00) 246: 57 ( -1.732, -47.778, -45.510) ( -1.730, -47.767, -45.503) ( 0.15, 0.02, 0.01) 246: bond ( 3.795, -54.841, -38.148) ( 3.796, -54.832, -38.144) ( 0.01, 0.02, 0.01) 246: angle ( -2.631, 5.826, -8.640) ( -2.629, 5.827, -8.638) ( 0.08, 0.01, 0.02) 246: torsion ( 0.589, -0.017, 0.083) ( 0.589, -0.017, 0.083) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -4.066, 1.758, 0.897) ( -4.066, 1.758, 0.897) ( 0.00, 0.00, 0.00) 246: electro ( 0.581, -0.504, 0.299) ( 0.581, -0.504, 0.299) ( 0.00, 0.00, 0.00) 246: 58 ( 50.420, 36.227, -10.971) ( 50.432, 36.232, -10.968) ( 0.02, 0.01, 0.03) 246: bond ( 55.952, 31.133, -6.287) ( 55.963, 31.136, -6.286) ( 0.02, 0.01, 0.01) 246: angle ( -2.282, 2.522, -7.819) ( -2.282, 2.523, -7.817) ( 0.02, 0.07, 0.03) 246: torsion ( 0.052, -0.097, -0.018) ( 0.052, -0.097, -0.018) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -3.740, 3.140, 2.809) ( -3.740, 3.140, 2.809) ( 0.00, 0.00, 0.00) 246: electro ( 0.439, -0.470, 0.344) ( 0.439, -0.470, 0.344) ( 0.00, 0.00, 0.00) 246: 59 (-56.455, -35.574, 6.114) (-56.444, -35.569, 6.117) ( 0.02, 0.02, 0.05) 246: bond (-59.090, -35.589, 6.014) (-59.080, -35.585, 6.015) ( 0.02, 0.01, 0.01) 246: angle ( 1.971, -2.844, 2.547) ( 1.971, -2.842, 2.550) ( 0.03, 0.05, 0.09) 246: torsion ( -0.002, -0.041, -0.260) ( -0.002, -0.041, -0.260) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.254, 2.953, -2.641) ( 0.254, 2.953, -2.641) ( 0.00, 0.00, 0.00) 246: electro ( 0.412, -0.053, 0.454) ( 0.412, -0.053, 0.454) ( 0.00, 0.00, 0.00) 246: 60 ( 50.380, -43.074, 21.150) ( 50.389, -43.067, 21.153) ( 0.02, 0.02, 0.02) 246: bond ( 52.215, -43.110, 20.266) ( 52.222, -43.104, 20.268) ( 0.02, 0.01, 0.01) 246: angle ( -0.583, -0.346, 0.764) ( -0.582, -0.345, 0.766) ( 0.05, 0.05, 0.17) 246: torsion ( -1.138, -1.119, 0.554) ( -1.138, -1.119, 0.554) ( 0.01, 0.01, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.230, 1.391, -0.524) ( -0.230, 1.391, -0.524) ( 0.00, 0.00, 0.00) 246: electro ( 0.117, 0.110, 0.090) ( 0.117, 0.110, 0.090) ( 0.00, 0.00, 0.00) 246: 61 ( -6.760, -9.653, 62.290) ( -6.757, -9.649, 62.303) ( 0.04, 0.04, 0.02) 246: bond ( -5.707, -18.261, 60.173) ( -5.707, -18.260, 60.185) ( 0.01, 0.01, 0.02) 246: angle ( -2.134, 9.751, 2.757) ( -2.132, 9.754, 2.757) ( 0.09, 0.02, 0.01) 246: torsion ( 0.825, -0.029, 0.070) ( 0.825, -0.029, 0.070) ( 0.01, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.163, -1.019, -0.626) ( 0.163, -1.019, -0.626) ( 0.00, 0.00, 0.00) 246: electro ( 0.093, -0.096, -0.083) ( 0.093, -0.096, -0.083) ( 0.00, 0.00, 0.00) 246: 62 ( 48.800, 36.802, -0.913) ( 48.811, 36.808, -0.910) ( 0.02, 0.02, 0.23) 246: bond ( 52.179, 33.691, -4.765) ( 52.189, 33.695, -4.765) ( 0.02, 0.01, 0.01) 246: angle ( -2.735, 5.228, 7.025) ( -2.734, 5.229, 7.028) ( 0.02, 0.03, 0.03) 246: torsion ( -0.332, 0.433, -0.571) ( -0.332, 0.433, -0.571) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.358, -2.314, -2.542) ( -0.358, -2.314, -2.542) ( 0.00, 0.00, 0.00) 246: electro ( 0.045, -0.235, -0.060) ( 0.045, -0.235, -0.060) ( 0.00, 0.00, 0.00) 246: 63 (-44.626, 39.990, -8.474) (-44.617, 39.997, -8.471) ( 0.02, 0.02, 0.04) 246: bond (-46.989, 36.366, -12.293) (-46.980, 36.371, -12.293) ( 0.02, 0.01, 0.01) 246: angle ( 1.890, 6.515, 12.055) ( 1.890, 6.517, 12.057) ( 0.04, 0.02, 0.02) 246: torsion ( -0.548, -0.498, 0.621) ( -0.548, -0.498, 0.621) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 0.844, -2.227, -8.803) ( 0.844, -2.227, -8.803) ( 0.00, 0.00, 0.00) 246: electro ( 0.176, -0.165, -0.054) ( 0.176, -0.165, -0.054) ( 0.00, 0.00, 0.00) 246: ok 36 # gradients 246: ok 37 # energy 246: 246: V A L I D A T E G R A D I E N T S 246: 246: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 246: ---------------------------------------------------------------------------------------- 246: 1 (217.044, -41.967, 0.965) (217.081, -41.921, 0.968) ( 0.02, 0.11, 0.32) 246: bond ( 98.283, -136.446, 0.429) ( 98.310, -136.411, 0.430) ( 0.03, 0.03, 0.03) 246: angle (108.109, 94.020, -0.224) (108.119, 94.030, -0.224) ( 0.01, 0.01, 0.00) 246: torsion ( -0.000, 0.002, 0.769) ( -0.000, 0.002, 0.772) ( 0.00, 0.00, 0.21) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 6.972, 1.025, -0.006) ( 6.972, 1.026, -0.006) ( 0.00, 0.02, 0.00) 246: electro ( 3.680, -0.569, -0.004) ( 3.680, -0.569, -0.004) ( 0.00, 0.00, 0.00) 246: 2 (-47.166, -62.201, 0.047) (-47.133, -62.163, 0.053) ( 0.07, 0.06, 0.03) 246: bond ( 2.183, -37.674, -0.047) ( 2.207, -37.646, -0.047) ( 1.12, 0.07, 0.00) 246: angle (-48.885, -24.699, 0.210) (-48.876, -24.689, 0.211) ( 0.02, 0.04, 0.03) 246: torsion ( -0.000, -0.001, -0.116) ( -0.000, -0.001, -0.111) ( 0.00, 0.00, 0.06) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -0.464, 0.172, -0.000) ( -0.464, 0.172, -0.000) ( 0.00, 0.00, 0.00) 246: 3 ( -0.007, -0.199, -0.169) ( 0.025, -0.163, -0.163) ( 0.02, 0.71, 0.09) 246: bond ( -8.735, 15.518, 0.028) ( -8.712, 15.547, 0.027) ( 0.27, 0.18, 0.00) 246: angle ( 32.220, -21.912, -0.057) ( 32.229, -21.905, -0.057) ( 0.03, 0.03, 0.00) 246: torsion ( -0.000, 0.000, -0.167) ( -0.000, 0.000, -0.162) ( 0.00, 0.00, 0.10) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-21.286, 6.216, 0.027) (-21.286, 6.216, 0.027) ( 0.00, 0.00, 0.00) 246: electro ( -2.206, -0.021, 0.001) ( -2.206, -0.021, 0.001) ( 0.00, 0.00, 0.00) 246: 4 ( 48.113, 21.924, -0.078) ( 48.140, 21.952, -0.052) ( 0.06, 0.12, 0.21) 246: bond ( 5.579, 9.409, -0.160) ( 5.598, 9.427, -0.141) ( 0.34, 0.20, 0.30) 246: angle ( 55.601, 17.739, -0.020) ( 55.610, 17.748, -0.014) ( 0.02, 0.05, 0.01) 246: torsion ( 0.000, -0.000, 0.125) ( 0.000, -0.000, 0.125) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-12.294, -5.214, -0.022) (-12.294, -5.214, -0.022) ( 0.00, 0.00, 0.00) 246: electro ( -0.773, -0.009, -0.001) ( -0.773, -0.009, -0.001) ( 0.00, 0.00, 0.00) 246: 5 ( 32.755, -22.139, -0.348) ( 32.766, -22.118, -0.348) ( 0.03, 0.10, 0.02) 246: bond ( -4.057, -6.858, -0.005) ( -4.050, -6.838, -0.005) ( 0.17, 0.29, 0.00) 246: angle ( -2.186, 1.292, -0.127) ( -2.183, 1.293, -0.127) ( 0.14, 0.08, 0.00) 246: torsion ( 0.001, -0.000, -0.181) ( 0.001, -0.000, -0.180) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 38.247, -9.107, -0.046) ( 38.248, -9.107, -0.046) ( 0.00, 0.00, 0.00) 246: electro ( 0.751, -7.466, 0.010) ( 0.751, -7.466, 0.010) ( 0.00, 0.00, 0.00) 246: 6 (-165.539, 22.277, -0.538) (-165.515, 22.298, -0.537) ( 0.01, 0.09, 0.04) 246: bond (-102.426, 142.178, -0.414) (-102.405, 142.193, -0.414) ( 0.02, 0.01, 0.02) 246: angle (-102.464, -133.859, 0.470) (-102.461, -133.854, 0.469) ( 0.00, 0.00, 0.05) 246: torsion ( -0.000, -0.002, -0.668) ( -0.000, -0.002, -0.667) ( 0.00, 0.00, 0.08) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( 44.794, 13.953, 0.080) ( 44.796, 13.953, 0.080) ( 0.00, 0.00, 0.00) 246: electro ( -5.443, 0.007, -0.005) ( -5.443, 0.007, -0.005) ( 0.00, 0.00, 0.00) 246: 7 (-20.820, 26.022, 0.060) (-20.805, 26.025, 0.061) ( 0.07, 0.01, 0.01) 246: bond (-20.292, 0.224, 0.019) (-20.278, 0.223, 0.019) ( 0.07, 0.00, 0.00) 246: angle ( 0.222, 20.146, 0.024) ( 0.222, 20.149, 0.024) ( 0.00, 0.02, 0.00) 246: torsion ( 0.000, -0.000, 0.009) ( 0.000, -0.000, 0.010) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -1.726, 5.394, 0.008) ( -1.726, 5.394, 0.008) ( 0.00, 0.00, 0.00) 246: electro ( 0.976, 0.259, 0.001) ( 0.976, 0.259, 0.001) ( 0.00, 0.00, 0.00) 246: 8 (-23.697, 38.579, 0.065) (-23.690, 38.590, 0.066) ( 0.03, 0.03, 0.01) 246: bond ( 10.313, 17.407, 0.011) ( 10.317, 17.417, 0.011) ( 0.04, 0.06, 0.00) 246: angle (-17.330, 10.263, 0.028) (-17.328, 10.264, 0.028) ( 0.01, 0.01, 0.00) 246: torsion ( -0.000, 0.000, -0.005) ( -0.000, 0.000, -0.004) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-19.009, 11.655, 0.032) (-19.008, 11.656, 0.032) ( 0.00, 0.00, 0.00) 246: electro ( 2.329, -0.747, -0.001) ( 2.329, -0.747, -0.001) ( 0.00, 0.00, 0.00) 246: 9 (-41.100, -31.821, -0.090) (-41.092, -31.812, -0.088) ( 0.02, 0.03, 0.02) 246: bond ( 3.583, -4.301, -0.008) ( 3.589, -4.293, -0.008) ( 0.16, 0.19, 0.00) 246: angle (-11.835, -9.893, -0.020) (-11.834, -9.892, -0.018) ( 0.01, 0.01, 0.00) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw (-34.686, -18.266, -0.067) (-34.685, -18.266, -0.067) ( 0.00, 0.00, 0.00) 246: electro ( 1.838, 0.640, 0.005) ( 1.838, 0.640, 0.005) ( 0.00, 0.00, 0.00) 246: 10 ( -8.246, -17.014, 1.017) ( -8.240, -17.012, 1.027) ( 0.07, 0.01, 0.99) 246: bond ( -3.280, -0.271, 4.647) ( -3.275, -0.271, 4.656) ( 0.14, 0.00, 0.20) 246: angle ( -5.220, -13.791, -4.475) ( -5.218, -13.789, -4.474) ( 0.03, 0.02, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.507, -2.830, 0.968) ( -0.507, -2.830, 0.968) ( 0.00, 0.00, 0.00) 246: electro ( 0.762, -0.121, -0.123) ( 0.762, -0.121, -0.123) ( 0.00, 0.00, 0.00) 246: 11 ( -8.139, -17.024, -0.916) ( -8.133, -17.022, -0.906) ( 0.08, 0.01, 0.92) 246: bond ( -3.185, -0.252, -4.513) ( -3.180, -0.252, -4.504) ( 0.15, 0.00, 0.21) 246: angle ( -5.204, -13.823, 4.447) ( -5.203, -13.821, 4.447) ( 0.03, 0.02, 0.02) 246: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.510, -2.828, -0.973) ( -0.510, -2.827, -0.973) ( 0.00, 0.00, 0.00) 246: electro ( 0.759, -0.122, 0.123) ( 0.759, -0.122, 0.123) ( 0.00, 0.00, 0.00) 246: 12 ( 16.579, 83.343, -0.081) ( 16.595, 83.346, -0.081) ( 0.09, 0.00, 0.00) 246: bond ( 21.865, 0.904, -0.025) ( 21.880, 0.904, -0.025) ( 0.07, 0.01, 0.00) 246: angle ( -3.076, 74.463, -0.266) ( -3.076, 74.465, -0.267) ( 0.00, 0.00, 0.01) 246: torsion ( 0.000, 0.001, 0.216) ( 0.000, 0.001, 0.216) ( 0.00, 0.00, 0.01) 246: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 246: electro ( -2.210, 7.976, -0.006) ( -2.210, 7.976, -0.006) ( 0.00, 0.00, 0.00) 246: ok 38 # gradients 246: 1..38 242/333 Test #246: origtest_ffgaff_1 ................................................................................... Passed 1.54 sec test 248 Start 248: origtest_ffmmff94_1 248: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffmmff94" "1" 248: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 248: Environment variables: 248: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 248: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 248: Test timeout computed to be: 1500 248: # Testing MMFF94 Force Field... 247: vdw ( 3.603, -2.535, 1.878) ( 3.603, -2.535, 1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-341.903, 475.989, -552.554) (-341.837, 476.081, -552.499) ( 0.02, 0.02, 0.01) 247: bond (-337.801, 473.237, -551.537) (-337.743, 473.318, -551.490) ( 0.02, 0.02, 0.01) 247: angle ( -0.043, 0.489, 0.094) ( -0.035, 0.499, 0.101) ( 0.03, 0.50, 0.06) 247: torsion ( 0.040, 0.033, -0.048) ( 0.041, 0.034, -0.046) ( 0.00, 0.00, 0.01) 247: vdw ( -4.099, 2.230, -1.064) ( -4.099, 2.230, -1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-341.903, -476.173, -552.554) (-341.837, -476.081, -552.499) ( 0.02, 0.02, 0.01) 247: bond (-337.801, -473.399, -551.537) (-337.743, -473.318, -551.490) ( 0.02, 0.02, 0.01) 247: angle ( -0.043, -0.509, 0.094) ( -0.035, -0.499, 0.101) ( 0.03, 0.52, 0.06) 247: torsion ( 0.040, -0.034, -0.048) ( 0.041, -0.034, -0.046) ( 0.00, 0.00, 0.01) 247: vdw ( -4.099, -2.230, -1.064) ( -4.099, -2.230, -1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-763.780, 211.175, -129.938) (-763.686, 211.256, -129.900) ( 0.01, 0.04, 0.03) 247: bond (-760.656, 208.396, -131.774) (-760.571, 208.466, -131.744) ( 0.01, 0.03, 0.02) 247: angle ( 0.436, 0.202, -0.114) ( 0.445, 0.212, -0.107) ( 0.37, 0.20, 0.07) 247: torsion ( 0.042, 0.042, 0.071) ( 0.042, 0.043, 0.072) ( 0.00, 0.00, 0.01) 247: vdw ( -3.603, 2.535, 1.878) ( -3.603, 2.535, 1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (-763.780, -211.337, -129.938) (-763.686, -211.256, -129.900) ( 0.01, 0.04, 0.03) 247: bond (-760.656, -208.536, -131.774) (-760.571, -208.466, -131.744) ( 0.01, 0.03, 0.02) 247: angle ( 0.436, -0.222, -0.114) ( 0.445, -0.212, -0.107) ( 0.37, 0.22, 0.07) 247: torsion ( 0.042, -0.044, 0.071) ( 0.042, -0.043, 0.072) ( 0.00, 0.00, 0.01) 247: vdw ( -3.603, -2.535, 1.878) ( -3.603, -2.535, 1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (475.989, 552.444, 341.770) (476.081, 552.499, 341.837) ( 0.02, 0.01, 0.02) 247: bond (473.237, 551.443, 337.686) (473.318, 551.490, 337.743) ( 0.02, 0.01, 0.02) 247: angle ( 0.489, -0.107, 0.027) ( 0.499, -0.101, 0.035) ( 0.50, 0.07, 0.02) 247: torsion ( 0.033, 0.045, -0.041) ( 0.034, 0.046, -0.041) ( 0.00, 0.01, 0.00) 247: vdw ( 2.230, 1.064, 4.099) ( 2.230, 1.064, 4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (129.863, 763.591, 211.175) (129.900, 763.686, 211.256) ( 0.03, 0.01, 0.04) 247: bond (131.714, 760.485, 208.396) (131.744, 760.571, 208.466) ( 0.02, 0.01, 0.03) 247: angle ( 0.101, -0.453, 0.202) ( 0.107, -0.445, 0.212) ( 0.06, 0.38, 0.20) 247: torsion ( -0.074, -0.043, 0.042) ( -0.072, -0.042, 0.043) ( 0.01, 0.00, 0.00) 247: vdw ( -1.879, 3.603, 2.535) ( -1.878, 3.603, 2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (129.863, -763.780, 211.175) (129.900, -763.686, 211.256) ( 0.03, 0.01, 0.04) 247: bond (131.714, -760.656, 208.396) (131.744, -760.571, 208.466) ( 0.02, 0.01, 0.03) 247: angle ( 0.101, 0.436, 0.202) ( 0.107, 0.445, 0.212) ( 0.06, 0.37, 0.20) 247: torsion ( -0.074, 0.042, 0.042) ( -0.072, 0.042, 0.043) ( 0.01, 0.00, 0.00) 247: vdw ( -1.879, -3.603, 2.535) ( -1.878, -3.603, 2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (475.989, -552.554, 341.770) (476.081, -552.499, 341.837) ( 0.02, 0.01, 0.02) 247: bond (473.237, -551.537, 337.686) (473.318, -551.490, 337.743) ( 0.02, 0.01, 0.02) 247: angle ( 0.489, 0.094, 0.027) ( 0.499, 0.101, 0.035) ( 0.50, 0.06, 0.02) 247: torsion ( 0.033, -0.048, -0.041) ( 0.034, -0.046, -0.041) ( 0.00, 0.01, 0.00) 247: vdw ( 2.230, -1.064, 4.099) ( 2.230, -1.064, 4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (552.444, -341.903, -476.173) (552.499, -341.837, -476.081) ( 0.01, 0.02, 0.02) 247: bond (551.443, -337.801, -473.399) (551.490, -337.743, -473.318) ( 0.01, 0.02, 0.02) 247: angle ( -0.107, -0.043, -0.509) ( -0.101, -0.035, -0.499) ( 0.07, 0.03, 0.52) 247: torsion ( 0.045, 0.040, -0.034) ( 0.046, 0.041, -0.034) ( 0.01, 0.00, 0.00) 247: vdw ( 1.064, -4.099, -2.230) ( 1.064, -4.099, -2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 14 (-211.337, 129.863, -763.780) (-211.256, 129.900, -763.686) ( 0.04, 0.03, 0.01) 247: bond (-208.536, 131.714, -760.656) (-208.466, 131.744, -760.571) ( 0.03, 0.02, 0.01) 247: angle ( -0.222, 0.101, 0.436) ( -0.212, 0.107, 0.445) ( 0.22, 0.06, 0.37) 247: torsion ( -0.044, -0.074, 0.042) ( -0.043, -0.072, 0.042) ( 0.00, 0.01, 0.00) 247: vdw ( -2.535, -1.879, -3.603) ( -2.535, -1.878, -3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 (552.444, -341.903, 475.989) (552.499, -341.837, 476.081) ( 0.01, 0.02, 0.02) 247: bond (551.443, -337.801, 473.237) (551.490, -337.743, 473.318) ( 0.01, 0.02, 0.02) 247: angle ( -0.107, -0.043, 0.489) ( -0.101, -0.035, 0.499) ( 0.07, 0.03, 0.50) 247: torsion ( 0.045, 0.040, 0.033) ( 0.046, 0.041, 0.034) ( 0.01, 0.00, 0.00) 247: vdw ( 1.064, -4.099, 2.230) ( 1.064, -4.099, 2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 (-682.022, 423.048, -0.090) (-681.921, 423.070, -0.000) ( 0.01, 0.01, 0.82) 247: bond (-677.189, 423.212, -0.078) (-677.098, 423.228, 0.000) ( 0.01, 0.00, 0.61) 247: angle ( -0.091, 0.287, -0.011) ( -0.082, 0.291, -0.000) ( 0.09, 0.11, 0.01) 247: torsion ( 0.015, 0.048, -0.001) ( 0.015, 0.050, 0.000) ( 0.00, 0.01, 0.00) 247: vdw ( -4.757, -0.499, -0.000) ( -4.757, -0.499, -0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 17 (341.770, -476.173, -552.554) (341.837, -476.081, -552.499) ( 0.02, 0.02, 0.01) 247: bond (337.686, -473.399, -551.537) (337.743, -473.318, -551.490) ( 0.02, 0.02, 0.01) 247: angle ( 0.027, -0.509, 0.094) ( 0.035, -0.499, 0.101) ( 0.02, 0.52, 0.06) 247: torsion ( -0.041, -0.034, -0.048) ( -0.041, -0.034, -0.046) ( 0.00, 0.00, 0.01) 247: vdw ( 4.099, -2.230, -1.064) ( 4.099, -2.230, -1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (-476.173, 552.444, 341.770) (-476.081, 552.499, 341.837) ( 0.02, 0.01, 0.02) 247: bond (-473.399, 551.443, 337.686) (-473.318, 551.490, 337.743) ( 0.02, 0.01, 0.02) 247: angle ( -0.509, -0.107, 0.027) ( -0.499, -0.101, 0.035) ( 0.52, 0.07, 0.02) 247: torsion ( -0.034, 0.045, -0.041) ( -0.034, 0.046, -0.041) ( 0.00, 0.01, 0.00) 247: vdw ( -2.230, 1.064, 4.099) ( -2.230, 1.064, 4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 (-211.337, 129.863, 763.591) (-211.256, 129.900, 763.686) ( 0.04, 0.03, 0.01) 247: bond (-208.536, 131.714, 760.485) (-208.466, 131.744, 760.571) ( 0.03, 0.02, 0.01) 247: angle ( -0.222, 0.101, -0.453) ( -0.212, 0.107, -0.445) ( 0.22, 0.06, 0.38) 247: torsion ( -0.044, -0.074, -0.043) ( -0.043, -0.072, -0.042) ( 0.00, 0.01, 0.00) 247: vdw ( -2.535, -1.879, 3.603) ( -2.535, -1.878, 3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (211.175, 129.863, -763.780) (211.256, 129.900, -763.686) ( 0.04, 0.03, 0.01) 247: bond (208.396, 131.714, -760.656) (208.466, 131.744, -760.571) ( 0.03, 0.02, 0.01) 247: angle ( 0.202, 0.101, 0.436) ( 0.212, 0.107, 0.445) ( 0.20, 0.06, 0.37) 247: torsion ( 0.042, -0.074, 0.042) ( 0.043, -0.072, 0.042) ( 0.00, 0.01, 0.00) 247: vdw ( 2.535, -1.879, -3.603) ( 2.535, -1.878, -3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (341.770, 475.989, -552.554) (341.837, 476.081, -552.499) ( 0.02, 0.02, 0.01) 247: bond (337.686, 473.237, -551.537) (337.743, 473.318, -551.490) ( 0.02, 0.02, 0.01) 247: angle ( 0.027, 0.489, 0.094) ( 0.035, 0.499, 0.101) ( 0.02, 0.50, 0.06) 247: torsion ( -0.041, 0.033, -0.048) ( -0.041, 0.034, -0.046) ( 0.00, 0.00, 0.01) 247: vdw ( 4.099, 2.230, -1.064) ( 4.099, 2.230, -1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (423.048, -0.090, 681.819) (423.070, 0.000, 681.921) ( 0.01, 0.82, 0.01) 247: bond (423.212, -0.078, 677.006) (423.228, 0.000, 677.098) ( 0.00, 0.61, 0.01) 247: angle ( 0.287, -0.011, 0.072) ( 0.291, 0.000, 0.082) ( 0.11, 0.01, 0.07) 247: torsion ( 0.048, -0.001, -0.016) ( 0.050, 0.000, -0.015) ( 0.01, 0.00, 0.00) 247: vdw ( -0.499, -0.000, 4.757) ( -0.499, 0.000, 4.757) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 (552.444, 341.770, -476.173) (552.499, 341.837, -476.081) ( 0.01, 0.02, 0.02) 247: bond (551.443, 337.686, -473.399) (551.490, 337.743, -473.318) ( 0.01, 0.02, 0.02) 247: angle ( -0.107, 0.027, -0.509) ( -0.101, 0.035, -0.499) ( 0.07, 0.02, 0.52) 247: torsion ( 0.045, -0.041, -0.034) ( 0.046, -0.041, -0.034) ( 0.01, 0.00, 0.00) 247: vdw ( 1.064, 4.099, -2.230) ( 1.064, 4.099, -2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (-129.938, -763.780, 211.175) (-129.900, -763.686, 211.256) ( 0.03, 0.01, 0.04) 247: bond (-131.774, -760.656, 208.396) (-131.744, -760.571, 208.466) ( 0.02, 0.01, 0.03) 247: angle ( -0.114, 0.436, 0.202) ( -0.107, 0.445, 0.212) ( 0.07, 0.37, 0.20) 247: torsion ( 0.071, 0.042, 0.042) ( 0.072, 0.042, 0.043) ( 0.01, 0.00, 0.00) 247: vdw ( 1.878, -3.603, 2.535) ( 1.878, -3.603, 2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 (-211.337, -129.938, -763.780) (-211.256, -129.900, -763.686) ( 0.04, 0.03, 0.01) 247: bond (-208.536, -131.774, -760.656) (-208.466, -131.744, -760.571) ( 0.03, 0.02, 0.01) 247: angle ( -0.222, -0.114, 0.436) ( -0.212, -0.107, 0.445) ( 0.22, 0.07, 0.37) 247: torsion ( -0.044, 0.071, 0.042) ( -0.043, 0.072, 0.042) ( 0.00, 0.01, 0.00) 247: vdw ( -2.535, 1.878, -3.603) ( -2.535, 1.878, -3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 (-476.173, -552.554, 341.770) (-476.081, -552.499, 341.837) ( 0.02, 0.01, 0.02) 247: bond (-473.399, -551.537, 337.686) (-473.318, -551.490, 337.743) ( 0.02, 0.01, 0.02) 247: angle ( -0.509, 0.094, 0.027) ( -0.499, 0.101, 0.035) ( 0.52, 0.06, 0.02) 247: torsion ( -0.034, -0.048, -0.041) ( -0.034, -0.046, -0.041) ( 0.00, 0.01, 0.00) 247: vdw ( -2.230, -1.064, 4.099) ( -2.230, -1.064, 4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (552.444, 341.770, 475.989) (552.499, 341.837, 476.081) ( 0.01, 0.02, 0.02) 247: bond (551.443, 337.686, 473.237) (551.490, 337.743, 473.318) ( 0.01, 0.02, 0.02) 247: angle ( -0.107, 0.027, 0.489) ( -0.101, 0.035, 0.499) ( 0.07, 0.02, 0.50) 247: torsion ( 0.045, -0.041, 0.033) ( 0.046, -0.041, 0.034) ( 0.01, 0.00, 0.00) 247: vdw ( 1.064, 4.099, 2.230) ( 1.064, 4.099, 2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 (-682.022, -423.091, -0.090) (-681.921, -423.070, -0.000) ( 0.01, 0.01, 0.82) 247: bond (-677.189, -423.243, -0.078) (-677.098, -423.228, 0.000) ( 0.01, 0.00, 0.61) 247: angle ( -0.091, -0.295, -0.011) ( -0.082, -0.291, -0.000) ( 0.09, 0.12, 0.01) 247: torsion ( 0.015, -0.052, -0.001) ( 0.015, -0.050, -0.000) ( 0.00, 0.01, 0.00) 247: vdw ( -4.757, 0.499, -0.000) ( -4.757, 0.499, -0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 (211.175, -129.938, -763.780) (211.256, -129.900, -763.686) ( 0.04, 0.03, 0.01) 247: bond (208.396, -131.774, -760.656) (208.466, -131.744, -760.571) ( 0.03, 0.02, 0.01) 247: angle ( 0.202, -0.114, 0.436) ( 0.212, -0.107, 0.445) ( 0.20, 0.07, 0.37) 247: torsion ( 0.042, 0.071, 0.042) ( 0.043, 0.072, 0.042) ( 0.00, 0.01, 0.00) 247: vdw ( 2.535, 1.878, -3.603) ( 2.535, 1.878, -3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 (681.819, 423.048, -0.090) (681.921, 423.070, -0.000) ( 0.01, 0.01, 0.82) 247: bond (677.006, 423.212, -0.078) (677.098, 423.228, 0.000) ( 0.01, 0.00, 0.61) 247: angle ( 0.072, 0.287, -0.011) ( 0.082, 0.291, -0.000) ( 0.07, 0.11, 0.01) 247: torsion ( -0.016, 0.048, -0.001) ( -0.015, 0.050, 0.000) ( 0.00, 0.01, 0.00) 247: vdw ( 4.757, -0.499, -0.000) ( 4.757, -0.499, -0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 (423.048, -0.090, -682.022) (423.070, 0.000, -681.921) ( 0.01, 0.82, 0.01) 247: bond (423.212, -0.078, -677.189) (423.228, 0.000, -677.098) ( 0.00, 0.61, 0.01) 247: angle ( 0.287, -0.011, -0.091) ( 0.291, 0.000, -0.082) ( 0.11, 0.01, 0.09) 247: torsion ( 0.048, -0.001, 0.015) ( 0.050, 0.000, 0.015) ( 0.01, 0.00, 0.00) 247: vdw ( -0.499, -0.000, -4.757) ( -0.499, -0.000, -4.757) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 (-129.938, 763.591, 211.175) (-129.900, 763.686, 211.256) ( 0.03, 0.01, 0.04) 247: bond (-131.774, 760.485, 208.396) (-131.744, 760.571, 208.466) ( 0.02, 0.01, 0.03) 247: angle ( -0.114, -0.453, 0.202) ( -0.107, -0.445, 0.212) ( 0.07, 0.38, 0.20) 247: torsion ( 0.071, -0.043, 0.042) ( 0.072, -0.042, 0.043) ( 0.01, 0.00, 0.00) 247: vdw ( 1.878, 3.603, 2.535) ( 1.878, 3.603, 2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 (-211.337, -129.938, 763.591) (-211.256, -129.900, 763.686) ( 0.04, 0.03, 0.01) 247: bond (-208.536, -131.774, 760.485) (-208.466, -131.744, 760.571) ( 0.03, 0.02, 0.01) 247: angle ( -0.222, -0.114, -0.453) ( -0.212, -0.107, -0.445) ( 0.22, 0.07, 0.38) 247: torsion ( -0.044, 0.071, -0.043) ( -0.043, 0.072, -0.042) ( 0.00, 0.01, 0.00) 247: vdw ( -2.535, 1.878, 3.603) ( -2.535, 1.878, 3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 34 (681.819, -423.091, -0.090) (681.921, -423.070, -0.000) ( 0.01, 0.01, 0.82) 247: bond (677.006, -423.243, -0.078) (677.098, -423.228, 0.000) ( 0.01, 0.00, 0.61) 247: angle ( 0.072, -0.295, -0.011) ( 0.082, -0.291, -0.000) ( 0.07, 0.12, 0.01) 247: torsion ( -0.016, -0.052, -0.001) ( -0.015, -0.050, 0.000) ( 0.00, 0.01, 0.00) 247: vdw ( 4.757, 0.499, -0.000) ( 4.757, 0.499, 0.000) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 35 (-552.554, 341.770, -476.173) (-552.499, 341.837, -476.081) ( 0.01, 0.02, 0.02) 247: bond (-551.537, 337.686, -473.399) (-551.490, 337.743, -473.318) ( 0.01, 0.02, 0.02) 247: angle ( 0.094, 0.027, -0.509) ( 0.101, 0.035, -0.499) ( 0.06, 0.02, 0.52) 247: torsion ( -0.048, -0.041, -0.034) ( -0.046, -0.041, -0.034) ( 0.01, 0.00, 0.00) 247: vdw ( -1.064, 4.099, -2.230) ( -1.064, 4.099, -2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 36 (-552.554, 341.770, 475.989) (-552.499, 341.837, 476.081) ( 0.01, 0.02, 0.02) 247: bond (-551.537, 337.686, 473.237) (-551.490, 337.743, 473.318) ( 0.01, 0.02, 0.02) 247: angle ( 0.094, 0.027, 0.489) ( 0.101, 0.035, 0.499) ( 0.06, 0.02, 0.50) 247: torsion ( -0.048, -0.041, 0.033) ( -0.046, -0.041, 0.034) ( 0.01, 0.00, 0.00) 247: vdw ( -1.064, 4.099, 2.230) ( -1.064, 4.099, 2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 37 (-423.091, -0.090, 681.819) (-423.070, -0.000, 681.921) ( 0.01, 0.82, 0.01) 247: bond (-423.243, -0.078, 677.006) (-423.228, 0.000, 677.098) ( 0.00, 0.61, 0.01) 247: angle ( -0.295, -0.011, 0.072) ( -0.291, -0.000, 0.082) ( 0.12, 0.01, 0.07) 247: torsion ( -0.052, -0.001, -0.016) ( -0.050, 0.000, -0.015) ( 0.01, 0.00, 0.00) 247: vdw ( 0.499, -0.000, 4.757) ( 0.499, 0.000, 4.757) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 38 (-552.554, -341.903, -476.173) (-552.499, -341.837, -476.081) ( 0.01, 0.02, 0.02) 247: bond (-551.537, -337.801, -473.399) (-551.490, -337.743, -473.318) ( 0.01, 0.02, 0.02) 247: angle ( 0.094, -0.043, -0.509) ( 0.101, -0.035, -0.499) ( 0.06, 0.03, 0.52) 247: torsion ( -0.048, 0.040, -0.034) ( -0.046, 0.041, -0.034) ( 0.01, 0.00, 0.00) 247: vdw ( -1.064, -4.099, -2.230) ( -1.064, -4.099, -2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 39 (-552.554, -341.903, 475.989) (-552.499, -341.837, 476.081) ( 0.01, 0.02, 0.02) 247: bond (-551.537, -337.801, 473.237) (-551.490, -337.743, 473.318) ( 0.01, 0.02, 0.02) 247: angle ( 0.094, -0.043, 0.489) ( 0.101, -0.035, 0.499) ( 0.06, 0.03, 0.50) 247: torsion ( -0.048, 0.040, 0.033) ( -0.046, 0.041, 0.034) ( 0.01, 0.00, 0.00) 247: vdw ( -1.064, -4.099, 2.230) ( -1.064, -4.099, 2.230) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 40 (211.175, -129.938, 763.591) (211.256, -129.900, 763.686) ( 0.04, 0.03, 0.01) 247: bond (208.396, -131.774, 760.485) (208.466, -131.744, 760.571) ( 0.03, 0.02, 0.01) 247: angle ( 0.202, -0.114, -0.453) ( 0.212, -0.107, -0.445) ( 0.20, 0.07, 0.38) 247: torsion ( 0.042, 0.071, -0.043) ( 0.043, 0.072, -0.042) ( 0.00, 0.01, 0.00) 247: vdw ( 2.535, 1.878, 3.603) ( 2.535, 1.878, 3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 41 (-476.173, -552.554, -341.903) (-476.081, -552.499, -341.837) ( 0.02, 0.01, 0.02) 247: bond (-473.399, -551.537, -337.801) (-473.318, -551.490, -337.743) ( 0.02, 0.01, 0.02) 247: angle ( -0.509, 0.094, -0.043) ( -0.499, 0.101, -0.035) ( 0.52, 0.06, 0.03) 247: torsion ( -0.034, -0.048, 0.040) ( -0.034, -0.046, 0.041) ( 0.00, 0.01, 0.00) 248: ok 1 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 247: vdw ( -2.230, -1.064, -4.099) ( -2.230, -1.064, -4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 42 (-763.780, 211.175, 129.863) (-763.686, 211.256, 129.900) ( 0.01, 0.04, 0.03) 247: bond (-760.656, 208.396, 131.714) (-760.571, 208.466, 131.744) ( 0.01, 0.03, 0.02) 247: angle ( 0.436, 0.202, 0.101) ( 0.445, 0.212, 0.107) ( 0.37, 0.20, 0.06) 247: torsion ( 0.042, 0.042, -0.074) ( 0.042, 0.043, -0.072) ( 0.00, 0.00, 0.01) 247: vdw ( -3.603, 2.535, -1.879) ( -3.603, 2.535, -1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 43 (475.989, -552.554, -341.903) (476.081, -552.499, -341.837) ( 0.02, 0.01, 0.02) 247: bond (473.237, -551.537, -337.801) (473.318, -551.490, -337.743) ( 0.02, 0.01, 0.02) 247: angle ( 0.489, 0.094, -0.043) ( 0.499, 0.101, -0.035) ( 0.50, 0.06, 0.03) 247: torsion ( 0.033, -0.048, 0.040) ( 0.034, -0.046, 0.041) ( 0.00, 0.01, 0.00) 247: vdw ( 2.230, -1.064, -4.099) ( 2.230, -1.064, -4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 44 (129.863, 763.591, -211.337) (129.900, 763.686, -211.256) ( 0.03, 0.01, 0.04) 247: bond (131.714, 760.485, -208.536) (131.744, 760.571, -208.466) ( 0.02, 0.01, 0.03) 247: angle ( 0.101, -0.453, -0.222) ( 0.107, -0.445, -0.212) ( 0.06, 0.38, 0.22) 247: torsion ( -0.074, -0.043, -0.044) ( -0.072, -0.042, -0.043) ( 0.01, 0.00, 0.00) 247: vdw ( -1.879, 3.603, -2.535) ( -1.878, 3.603, -2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 45 (-129.938, 763.591, -211.337) (-129.900, 763.686, -211.256) ( 0.03, 0.01, 0.04) 247: bond (-131.774, 760.485, -208.536) (-131.744, 760.571, -208.466) ( 0.02, 0.01, 0.03) 247: angle ( -0.114, -0.453, -0.222) ( -0.107, -0.445, -0.212) ( 0.07, 0.38, 0.22) 247: torsion ( 0.071, -0.043, -0.044) ( 0.072, -0.042, -0.043) ( 0.01, 0.00, 0.00) 247: vdw ( 1.878, 3.603, -2.535) ( 1.878, 3.603, -2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 46 (129.863, -763.780, -211.337) (129.900, -763.686, -211.256) ( 0.03, 0.01, 0.04) 247: bond (131.714, -760.656, -208.536) (131.744, -760.571, -208.466) ( 0.02, 0.01, 0.03) 247: angle ( 0.101, 0.436, -0.222) ( 0.107, 0.445, -0.212) ( 0.06, 0.37, 0.22) 247: torsion ( -0.074, 0.042, -0.044) ( -0.072, 0.042, -0.043) ( 0.01, 0.00, 0.00) 247: vdw ( -1.879, -3.603, -2.535) ( -1.878, -3.603, -2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 47 (-341.903, -476.173, 552.444) (-341.837, -476.081, 552.499) ( 0.02, 0.02, 0.01) 247: bond (-337.801, -473.399, 551.443) (-337.743, -473.318, 551.490) ( 0.02, 0.02, 0.01) 247: angle ( -0.043, -0.509, -0.107) ( -0.035, -0.499, -0.101) ( 0.03, 0.52, 0.07) 247: torsion ( 0.040, -0.034, 0.045) ( 0.041, -0.034, 0.046) ( 0.00, 0.00, 0.01) 247: vdw ( -4.099, -2.230, 1.064) ( -4.099, -2.230, 1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 48 (-423.091, -0.090, -682.022) (-423.070, -0.000, -681.921) ( 0.01, 0.82, 0.01) 247: bond (-423.243, -0.078, -677.189) (-423.228, 0.000, -677.098) ( 0.00, 0.61, 0.01) 247: angle ( -0.295, -0.011, -0.091) ( -0.291, 0.000, -0.082) ( 0.12, 0.01, 0.09) 247: torsion ( -0.052, -0.001, 0.015) ( -0.050, -0.000, 0.015) ( 0.01, 0.00, 0.00) 247: vdw ( 0.499, -0.000, -4.757) ( 0.499, 0.000, -4.757) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 49 (211.175, 129.863, 763.591) (211.256, 129.900, 763.686) ( 0.04, 0.03, 0.01) 247: bond (208.396, 131.714, 760.485) (208.466, 131.744, 760.571) ( 0.03, 0.02, 0.01) 247: angle ( 0.202, 0.101, -0.453) ( 0.212, 0.107, -0.445) ( 0.20, 0.06, 0.38) 247: torsion ( 0.042, -0.074, -0.043) ( 0.043, -0.072, -0.042) ( 0.00, 0.01, 0.00) 247: vdw ( 2.535, -1.879, 3.603) ( 2.535, -1.878, 3.603) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 50 (-476.173, 552.444, -341.903) (-476.081, 552.499, -341.837) ( 0.02, 0.01, 0.02) 247: bond (-473.399, 551.443, -337.801) (-473.318, 551.490, -337.743) ( 0.02, 0.01, 0.02) 247: angle ( -0.509, -0.107, -0.043) ( -0.499, -0.101, -0.035) ( 0.52, 0.07, 0.03) 247: torsion ( -0.034, 0.045, 0.040) ( -0.034, 0.046, 0.041) ( 0.00, 0.01, 0.00) 247: vdw ( -2.230, 1.064, -4.099) ( -2.230, 1.064, -4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 51 (-129.938, -763.780, -211.337) (-129.900, -763.686, -211.256) ( 0.03, 0.01, 0.04) 247: bond (-131.774, -760.656, -208.536) (-131.744, -760.571, -208.466) ( 0.02, 0.01, 0.03) 247: angle ( -0.114, 0.436, -0.222) ( -0.107, 0.445, -0.212) ( 0.07, 0.37, 0.22) 247: torsion ( 0.071, 0.042, -0.044) ( 0.072, 0.042, -0.043) ( 0.01, 0.00, 0.00) 247: vdw ( 1.878, -3.603, -2.535) ( 1.878, -3.603, -2.535) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 52 (341.770, -476.173, 552.444) (341.837, -476.081, 552.499) ( 0.02, 0.02, 0.01) 247: bond (337.686, -473.399, 551.443) (337.743, -473.318, 551.490) ( 0.02, 0.02, 0.01) 247: angle ( 0.027, -0.509, -0.107) ( 0.035, -0.499, -0.101) ( 0.02, 0.52, 0.07) 247: torsion ( -0.041, -0.034, 0.045) ( -0.041, -0.034, 0.046) ( 0.00, 0.00, 0.01) 247: vdw ( 4.099, -2.230, 1.064) ( 4.099, -2.230, 1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 53 (763.591, 211.175, 129.863) (763.686, 211.256, 129.900) ( 0.01, 0.04, 0.03) 247: bond (760.485, 208.396, 131.714) (760.571, 208.466, 131.744) ( 0.01, 0.03, 0.02) 247: angle ( -0.453, 0.202, 0.101) ( -0.445, 0.212, 0.107) ( 0.38, 0.20, 0.06) 247: torsion ( -0.043, 0.042, -0.074) ( -0.042, 0.043, -0.072) ( 0.00, 0.00, 0.01) 247: vdw ( 3.603, 2.535, -1.879) ( 3.603, 2.535, -1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 54 ( -0.090, 681.819, 423.048) ( -0.000, 681.921, 423.070) ( 0.82, 0.01, 0.01) 247: bond ( -0.078, 677.006, 423.212) ( 0.000, 677.098, 423.228) ( 0.61, 0.01, 0.00) 247: angle ( -0.011, 0.072, 0.287) ( -0.000, 0.082, 0.291) ( 0.01, 0.07, 0.11) 247: torsion ( -0.001, -0.016, 0.048) ( 0.000, -0.015, 0.050) ( 0.00, 0.00, 0.01) 247: vdw ( -0.000, 4.757, -0.499) ( -0.000, 4.757, -0.499) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 55 (341.770, 475.989, 552.444) (341.837, 476.081, 552.499) ( 0.02, 0.02, 0.01) 247: bond (337.686, 473.237, 551.443) (337.743, 473.318, 551.490) ( 0.02, 0.02, 0.01) 247: angle ( 0.027, 0.489, -0.107) ( 0.035, 0.499, -0.101) ( 0.02, 0.50, 0.07) 247: torsion ( -0.041, 0.033, 0.045) ( -0.041, 0.034, 0.046) ( 0.00, 0.00, 0.01) 247: vdw ( 4.099, 2.230, 1.064) ( 4.099, 2.230, 1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 56 (-341.903, 475.989, 552.444) (-341.837, 476.081, 552.499) ( 0.02, 0.02, 0.01) 247: bond (-337.801, 473.237, 551.443) (-337.743, 473.318, 551.490) ( 0.02, 0.02, 0.01) 247: angle ( -0.043, 0.489, -0.107) ( -0.035, 0.499, -0.101) ( 0.03, 0.50, 0.07) 247: torsion ( 0.040, 0.033, 0.045) ( 0.041, 0.034, 0.046) ( 0.00, 0.00, 0.01) 247: vdw ( -4.099, 2.230, 1.064) ( -4.099, 2.230, 1.064) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 57 (475.989, 552.444, -341.903) (476.081, 552.499, -341.837) ( 0.02, 0.01, 0.02) 247: bond (473.237, 551.443, -337.801) (473.318, 551.490, -337.743) ( 0.02, 0.01, 0.02) 247: angle ( 0.489, -0.107, -0.043) ( 0.499, -0.101, -0.035) ( 0.50, 0.07, 0.03) 247: torsion ( 0.033, 0.045, 0.040) ( 0.034, 0.046, 0.041) ( 0.00, 0.01, 0.00) 247: vdw ( 2.230, 1.064, -4.099) ( 2.230, 1.064, -4.099) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 58 (-763.780, -211.337, 129.863) (-763.686, -211.256, 129.900) ( 0.01, 0.04, 0.03) 247: bond (-760.656, -208.536, 131.714) (-760.571, -208.466, 131.744) ( 0.01, 0.03, 0.02) 247: angle ( 0.436, -0.222, 0.101) ( 0.445, -0.212, 0.107) ( 0.37, 0.22, 0.06) 247: torsion ( 0.042, -0.044, -0.074) ( 0.042, -0.043, -0.072) ( 0.00, 0.00, 0.01) 247: vdw ( -3.603, -2.535, -1.879) ( -3.603, -2.535, -1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 59 (763.591, -211.337, 129.863) (763.686, -211.256, 129.900) ( 0.01, 0.04, 0.03) 247: bond (760.485, -208.536, 131.714) (760.571, -208.466, 131.744) ( 0.01, 0.03, 0.02) 247: angle ( -0.453, -0.222, 0.101) ( -0.445, -0.212, 0.107) ( 0.38, 0.22, 0.06) 247: torsion ( -0.043, -0.044, -0.074) ( -0.042, -0.043, -0.072) ( 0.00, 0.00, 0.01) 247: vdw ( 3.603, -2.535, -1.879) ( 3.603, -2.535, -1.878) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 60 ( -0.090, -682.022, 423.048) ( 0.000, -681.921, 423.070) ( 0.82, 0.01, 0.01) 247: bond ( -0.078, -677.189, 423.212) ( 0.000, -677.098, 423.228) ( 0.61, 0.01, 0.00) 247: angle ( -0.011, -0.091, 0.287) ( 0.000, -0.082, 0.291) ( 0.01, 0.09, 0.11) 247: torsion ( -0.001, 0.015, 0.048) ( 0.000, 0.015, 0.050) ( 0.00, 0.00, 0.01) 247: vdw ( -0.000, -4.757, -0.499) ( 0.000, -4.757, -0.499) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 18 # gradients 247: ok 19 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-26.365, -6.735, -0.035) (-26.271, -6.630, -0.032) ( 0.36, 1.56, 0.01) 247: bond (-51.407, -21.524, -0.453) (-51.328, -21.431, -0.453) ( 0.15, 0.43, 0.00) 247: angle ( 28.516, 23.010, 2.629) ( 28.532, 23.022, 2.628) ( 0.05, 0.05, 0.02) 247: torsion ( 0.028, 0.027, -2.311) ( 0.028, 0.027, -2.306) ( 0.00, 0.00, 0.18) 247: vdw ( -3.503, -8.248, 0.099) ( -3.503, -8.248, 0.099) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 ( 42.577, 18.173, 0.053) ( 42.671, 18.274, 0.057) ( 0.22, 0.56, 0.02) 247: bond ( 79.259, -24.256, -0.982) ( 79.338, -24.166, -0.981) ( 0.10, 0.37, 0.03) 247: angle (-31.061, 47.195, 3.394) (-31.046, 47.207, 3.394) ( 0.05, 0.02, 0.01) 247: torsion ( -0.034, 0.018, -1.739) ( -0.034, 0.018, -1.736) ( 0.00, 0.00, 0.20) 247: vdw ( -5.588, -4.785, -0.620) ( -5.587, -4.784, -0.620) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (1481.239, -10.907, -17.547) (1481.306, -10.812, -17.538) ( 0.00, 0.88, 0.05) 247: bond (1482.386, 49.293, -17.062) (1482.436, 49.379, -17.056) ( 0.00, 0.17, 0.03) 247: angle ( -3.766, -60.057, -0.119) ( -3.750, -60.047, -0.117) ( 0.43, 0.02, 0.02) 247: torsion ( 0.015, -0.012, -0.359) ( 0.015, -0.012, -0.357) ( 0.00, 0.00, 0.09) 247: vdw ( 2.605, -0.132, -0.008) ( 2.605, -0.132, -0.008) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (218.197, 351.442, -5.584) (218.285, 351.514, -5.579) ( 0.04, 0.02, 0.09) 247: bond (156.798, 315.167, -4.502) (156.875, 315.223, -4.500) ( 0.05, 0.02, 0.06) 247: angle ( 55.844, 32.080, -0.601) ( 55.856, 32.094, -0.601) ( 0.02, 0.05, 0.00) 247: torsion ( -0.002, -0.005, 0.943) ( -0.002, -0.005, 0.946) ( 0.00, 0.00, 0.24) 247: vdw ( 5.556, 4.201, -1.424) ( 5.556, 4.201, -1.424) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-203.363, -391.514, -1.242) (-203.352, -391.496, -1.239) ( 0.01, 0.00, 0.19) 247: bond (-224.009, -386.559, 5.182) (-224.002, -386.542, 5.184) ( 0.00, 0.00, 0.04) 247: angle ( -4.111, 2.380, 0.062) ( -4.107, 2.381, 0.062) ( 0.08, 0.05, 0.00) 247: torsion ( 0.004, 0.005, 0.542) ( 0.004, 0.005, 0.542) ( 0.00, 0.00, 0.03) 247: vdw ( 24.753, -7.340, -7.027) ( 24.754, -7.340, -7.027) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-745.376, 1325.888, -16.743) (-745.286, 1325.961, -16.734) ( 0.01, 0.01, 0.06) 247: bond (-680.841, 1288.888, -17.462) (-680.761, 1288.945, -17.456) ( 0.01, 0.00, 0.03) 247: angle (-62.286, 33.325, 2.422) (-62.276, 33.341, 2.424) ( 0.02, 0.05, 0.06) 247: torsion ( -0.001, -0.005, -1.701) ( -0.001, -0.005, -1.699) ( 0.00, 0.00, 0.14) 247: vdw ( -2.248, 3.679, -0.003) ( -2.248, 3.679, -0.003) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-379.576, -9.468, -4.080) (-379.510, -9.372, -4.075) ( 0.02, 1.02, 0.12) 247: bond (-388.385, 67.010, -2.879) (-388.333, 67.095, -2.877) ( 0.01, 0.13, 0.08) 247: angle ( 9.372, -71.185, -1.456) ( 9.385, -71.173, -1.456) ( 0.14, 0.02, 0.03) 247: torsion ( -0.012, -0.012, 1.120) ( -0.012, -0.012, 1.123) ( 0.00, 0.00, 0.27) 247: vdw ( -0.551, -5.281, -0.866) ( -0.550, -5.281, -0.866) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (437.367, -12.590, 0.525) (437.388, -12.583, 0.527) ( 0.00, 0.06, 0.12) 247: bond (440.100, -5.846, 2.920) (440.121, -5.844, 2.922) ( 0.00, 0.03, 0.06) 247: angle ( 0.050, 3.730, -0.126) ( 0.050, 3.734, -0.126) ( 0.00, 0.12, 0.00) 247: torsion ( -0.001, 0.001, 0.156) ( -0.001, 0.001, 0.157) ( 0.00, 0.00, 0.01) 247: vdw ( -2.782, -10.475, -2.426) ( -2.782, -10.474, -2.426) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (-1298.501, -414.353, -25.601) (-1298.426, -414.267, -25.591) ( 0.01, 0.02, 0.04) 247: bond (-1389.179, -512.381, -26.576) (-1389.117, -512.307, -26.570) ( 0.00, 0.01, 0.02) 247: angle ( 90.035, 97.583, 1.312) ( 90.048, 97.595, 1.314) ( 0.02, 0.01, 0.15) 247: torsion ( -0.002, 0.019, -0.340) ( -0.002, 0.019, -0.338) ( 0.00, 0.00, 0.08) 247: vdw ( 0.645, 0.427, 0.003) ( 0.645, 0.427, 0.003) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (-172.645, 75.624, 0.228) (-172.591, 75.695, 0.232) ( 0.03, 0.09, 0.08) 247: bond (-98.169, 9.837, 0.225) (-98.126, 9.903, 0.225) ( 0.04, 0.68, 0.01) 247: angle (-68.504, 69.057, -0.619) (-68.494, 69.061, -0.617) ( 0.02, 0.01, 0.11) 247: torsion ( 0.018, -0.014, 1.257) ( 0.018, -0.014, 1.258) ( 0.00, 0.00, 0.09) 247: vdw ( -5.989, -3.255, -0.635) ( -5.989, -3.255, -0.635) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 ( -1.370, -112.984, -1.408) ( -1.281, -112.907, -1.405) ( 6.45, 0.07, 0.18) 247: bond ( 10.704, 61.334, 0.663) ( 10.779, 61.399, 0.664) ( 0.70, 0.10, 0.05) 247: angle (-16.150, -176.774, -2.413) (-16.137, -176.761, -2.413) ( 0.08, 0.01, 0.01) 247: torsion ( -0.004, -0.005, 0.241) ( -0.004, -0.005, 0.243) ( 0.00, 0.00, 0.05) 247: vdw ( 4.081, 2.460, 0.102) ( 4.081, 2.460, 0.102) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (1511.671, 514.801, 32.839) (1511.714, 514.855, 32.892) ( 0.00, 0.01, 0.16) 247: bond (1515.153, 517.997, 31.429) (1515.184, 518.038, 31.470) ( 0.00, 0.01, 0.13) 247: angle ( -2.913, -1.712, 0.561) ( -2.901, -1.699, 0.572) ( 0.43, 0.76, 0.58) 247: torsion ( -0.009, -0.018, 0.871) ( -0.009, -0.018, 0.871) ( 0.00, 0.00, 0.03) 247: vdw ( -0.560, -1.465, -0.022) ( -0.560, -1.465, -0.022) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (-1597.410, -19.629, 16.286) (-1597.368, -19.574, 16.339) ( 0.00, 0.28, 0.32) 247: bond (-1606.438, -16.395, 16.722) (-1606.408, -16.353, 16.764) ( 0.00, 0.25, 0.25) 247: angle ( 6.182, 1.035, -0.764) ( 6.194, 1.048, -0.753) ( 0.20, 1.27, 0.80) 247: torsion ( 0.004, 0.001, 0.323) ( 0.004, 0.001, 0.323) ( 0.00, 0.00, 0.01) 247: vdw ( 2.842, -4.270, 0.006) ( 2.843, -4.270, 0.006) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 14 (767.883, -1400.424, 14.698) (767.935, -1400.378, 14.751) ( 0.01, 0.00, 0.36) 247: bond (773.726, -1413.341, 15.101) (773.765, -1413.308, 15.143) ( 0.01, 0.00, 0.28) 247: angle ( -2.491, 8.410, -1.096) ( -2.478, 8.422, -1.085) ( 0.52, 0.15, 0.96) 247: torsion ( -0.003, 0.007, 0.696) ( -0.003, 0.007, 0.696) ( 0.00, 0.00, 0.02) 247: vdw ( -3.349, 4.500, -0.003) ( -3.348, 4.501, -0.003) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 ( 2.573, 35.827, 0.685) ( 2.579, 35.856, 0.685) ( 0.23, 0.08, 0.03) 247: bond ( -0.167, 36.326, 0.800) ( -0.167, 36.355, 0.800) ( 0.00, 0.08, 0.01) 247: angle ( -1.606, 0.002, -0.444) ( -1.600, 0.002, -0.444) ( 0.35, 0.00, 0.01) 247: torsion ( 0.001, -0.006, 0.275) ( 0.001, -0.006, 0.276) ( 0.00, 0.00, 0.01) 247: vdw ( 4.345, -0.496, 0.053) ( 4.345, -0.496, 0.053) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 ( -5.358, -55.102, -3.092) ( -5.354, -55.074, -3.088) ( 0.06, 0.05, 0.13) 247: bond ( -0.905, -54.774, -2.312) ( -0.905, -54.746, -2.313) ( 0.02, 0.05, 0.01) 247: angle ( 2.713, -0.017, -0.653) ( 2.717, -0.017, -0.649) ( 0.12, 0.00, 0.27) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -7.166, -0.310, -0.127) ( -7.166, -0.310, -0.127) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 17 (-23.805, 13.685, 42.227) (-23.797, 13.691, 42.247) ( 0.04, 0.04, 0.05) 247: bond (-23.472, 15.259, 41.413) (-23.466, 15.262, 41.432) ( 0.03, 0.02, 0.05) 247: angle ( 0.354, -0.124, 0.245) ( 0.356, -0.120, 0.246) ( 0.09, 0.04, 0.03) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -0.687, -1.450, 0.570) ( -0.687, -1.450, 0.570) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (-26.013, 17.980, -45.828) (-26.004, 17.987, -45.809) ( 0.03, 0.04, 0.04) 247: bond (-25.679, 20.707, -44.275) (-25.673, 20.711, -44.257) ( 0.02, 0.02, 0.04) 247: angle ( 0.650, -0.562, -0.642) ( 0.653, -0.559, -0.640) ( 0.17, 0.19, 0.09) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -0.984, -2.165, -0.912) ( -0.984, -2.165, -0.912) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 ( 18.649, 13.540, -51.805) ( 18.654, 13.545, -51.781) ( 0.03, 0.04, 0.05) 247: bond ( 17.904, 14.252, -51.223) ( 17.907, 14.254, -51.200) ( 0.01, 0.01, 0.05) 247: angle ( -0.297, 0.111, -0.072) ( -0.295, 0.115, -0.071) ( 0.09, 0.04, 0.00) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 1.042, -0.823, -0.511) ( 1.042, -0.823, -0.511) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 ( 26.856, -48.497, 14.020) ( 26.862, -48.474, 14.025) ( 0.02, 0.05, 0.04) 247: bond ( 19.705, -50.862, 13.120) ( 19.708, -50.840, 13.122) ( 0.02, 0.04, 0.01) 247: angle ( -4.217, -1.717, -0.326) ( -4.214, -1.717, -0.322) ( 0.07, 0.04, 0.13) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 11.368, 4.083, 1.226) ( 11.368, 4.083, 1.226) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 ( 26.291, 34.034, 41.064) ( 26.297, 34.049, 41.078) ( 0.02, 0.04, 0.04) 247: bond ( 19.193, 38.169, 38.169) ( 19.196, 38.181, 38.181) ( 0.01, 0.03, 0.03) 247: angle ( -1.707, 1.023, -0.171) ( -1.704, 1.026, -0.169) ( 0.17, 0.22, 0.04) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 8.805, -5.158, 3.066) ( 8.806, -5.158, 3.066) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (-45.738, 8.622, 38.333) (-45.719, 8.625, 38.345) ( 0.04, 0.04, 0.03) 247: bond (-45.865, -2.697, 34.786) (-45.848, -2.697, 34.796) ( 0.04, 0.01, 0.03) 247: angle ( -0.123, -3.161, -0.408) ( -0.122, -3.158, -0.406) ( 0.02, 0.11, 0.11) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 0.251, 14.480, 3.955) ( 0.251, 14.480, 3.955) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 ( 7.676, 59.393, 23.469) ( 7.690, 59.410, 23.476) ( 0.17, 0.03, 0.03) 247: bond ( 35.496, 42.507, 18.313) ( 35.506, 42.521, 18.315) ( 0.03, 0.03, 0.01) 247: angle ( 5.136, -3.971, -0.748) ( 5.138, -3.970, -0.744) ( 0.04, 0.04, 0.28) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw (-32.955, 20.858, 5.905) (-32.954, 20.858, 5.905) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (-16.429, 12.100, -51.807) (-16.423, 12.105, -51.782) ( 0.04, 0.04, 0.05) 247: bond (-16.682, 10.967, -51.378) (-16.680, 10.968, -51.354) ( 0.01, 0.01, 0.05) 247: angle ( 0.190, 0.171, -0.026) ( 0.194, 0.174, -0.026) ( 0.07, 0.06, 0.00) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 0.063, 0.962, -0.403) ( 0.063, 0.962, -0.403) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 20 # gradients 247: ok 21 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-43.157, -57.858, -15.760) (-43.113, -57.813, -15.714) ( 0.10, 0.08, 0.29) 247: bond (-35.273, -59.048, -4.681) (-35.239, -59.012, -4.645) ( 0.10, 0.06, 0.77) 247: angle ( 2.958, -4.652, -6.413) ( 2.968, -4.643, -6.403) ( 0.35, 0.21, 0.15) 247: torsion (-10.119, 7.010, -5.676) (-10.119, 7.010, -5.676) ( 0.00, 0.00, 0.01) 247: vdw ( -0.723, -1.168, 1.011) ( -0.723, -1.168, 1.011) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (-100.883, 87.937, 23.820) (-100.833, 87.984, 23.865) ( 0.05, 0.05, 0.19) 247: bond (-17.248, 54.348, -8.568) (-17.211, 54.384, -8.534) ( 0.21, 0.07, 0.40) 247: angle (-68.485, 29.034, 43.678) (-68.473, 29.044, 43.688) ( 0.02, 0.04, 0.02) 247: torsion (-12.304, 3.441, -6.010) (-12.304, 3.441, -6.009) ( 0.00, 0.01, 0.01) 247: vdw ( -2.845, 1.115, -5.280) ( -2.845, 1.115, -5.280) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 ( 83.272, 35.908, -40.149) ( 83.320, 35.955, -40.100) ( 0.06, 0.13, 0.12) 247: bond ( 87.746, -16.745, 66.765) ( 87.783, -16.709, 66.800) ( 0.04, 0.21, 0.05) 247: angle ( -1.809, 46.196, -96.218) ( -1.799, 46.206, -96.206) ( 0.56, 0.02, 0.01) 247: torsion ( 0.427, 6.068, -7.908) ( 0.427, 6.068, -7.908) ( 0.01, 0.01, 0.01) 247: vdw ( -3.092, 0.390, -2.787) ( -3.091, 0.390, -2.787) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 ( 89.504, -10.397, 77.576) ( 89.552, -10.348, 77.622) ( 0.05, 0.47, 0.06) 247: bond (123.465, 45.957, 9.509) (123.502, 45.993, 9.544) ( 0.03, 0.08, 0.38) 247: angle (-29.372, -47.675, 85.067) (-29.361, -47.662, 85.076) ( 0.04, 0.03, 0.01) 247: torsion ( -2.621, -5.704, -17.085) ( -2.620, -5.703, -17.083) ( 0.01, 0.01, 0.01) 247: vdw ( -1.968, -2.976, 0.085) ( -1.968, -2.976, 0.085) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-16.876, 120.283, -38.120) (-16.799, 120.339, -38.106) ( 0.46, 0.05, 0.03) 247: bond (-49.888, 112.320, -15.047) (-49.824, 112.364, -15.045) ( 0.13, 0.04, 0.02) 247: angle ( 29.879, 10.202, -44.047) ( 29.891, 10.213, -44.044) ( 0.04, 0.11, 0.01) 247: torsion ( 2.169, 4.373, 21.249) ( 2.169, 4.374, 21.256) ( 0.01, 0.01, 0.03) 247: vdw ( 0.964, -6.612, -0.274) ( 0.964, -6.612, -0.274) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-12.755, -8.547, 19.128) (-12.683, -8.491, 19.140) ( 0.56, 0.65, 0.07) 247: bond (-33.935, 21.618, -4.334) (-33.870, 21.663, -4.332) ( 0.19, 0.21, 0.04) 247: angle ( 18.512, -26.882, 13.525) ( 18.518, -26.871, 13.527) ( 0.03, 0.04, 0.01) 247: torsion ( -1.569, -1.258, 8.280) ( -1.569, -1.258, 8.289) ( 0.00, 0.02, 0.11) 247: vdw ( 3.877, -1.998, 1.768) ( 3.877, -1.997, 1.768) ( 0.00, 0.01, 0.00) 247: electro ( 0.360, -0.027, -0.111) ( 0.360, -0.027, -0.111) ( 0.00, 0.00, 0.00) 247: 7 ( 16.723, -19.158, -22.610) ( 16.771, -19.109, -22.565) ( 0.29, 0.25, 0.20) 247: bond (-40.310, 17.683, 2.533) (-40.275, 17.720, 2.569) ( 0.09, 0.21, 1.42) 247: angle ( 56.487, -28.902, -14.426) ( 56.499, -28.891, -14.419) ( 0.02, 0.04, 0.05) 247: torsion ( 0.746, -4.538, -14.758) ( 0.747, -4.538, -14.757) ( 0.02, 0.00, 0.01) 247: vdw ( -0.200, -3.401, 4.042) ( -0.200, -3.401, 4.043) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (-77.334, 40.329, 40.858) (-77.286, 40.377, 40.905) ( 0.06, 0.12, 0.12) 247: bond (-39.454, 13.633, -79.926) (-39.418, 13.669, -79.890) ( 0.09, 0.26, 0.05) 247: angle (-37.693, 29.316, 117.397) (-37.682, 29.327, 117.407) ( 0.03, 0.04, 0.01) 247: torsion ( -2.457, -0.129, 5.851) ( -2.457, -0.129, 5.852) ( 0.02, 0.01, 0.02) 247: vdw ( 2.270, -2.491, -2.463) ( 2.271, -2.491, -2.463) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (-32.727, 72.726, -92.423) (-32.676, 72.773, -92.377) ( 0.15, 0.06, 0.05) 247: bond (-70.963, 69.134, -38.807) (-70.925, 69.169, -38.773) ( 0.05, 0.05, 0.09) 247: angle ( 35.155, 12.704, -44.465) ( 35.166, 12.715, -44.454) ( 0.03, 0.09, 0.02) 247: torsion ( 1.189, -6.727, -14.033) ( 1.189, -6.727, -14.032) ( 0.04, 0.01, 0.01) 247: vdw ( 1.893, -2.384, 4.882) ( 1.893, -2.384, 4.882) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 ( 44.464, -48.929, 61.410) ( 44.508, -48.879, 61.457) ( 0.10, 0.10, 0.08) 247: bond ( 67.926, 38.675, 8.425) ( 67.960, 38.713, 8.462) ( 0.05, 0.10, 0.44) 247: angle (-27.457, -76.524, 61.567) (-27.447, -76.512, 61.578) ( 0.04, 0.02, 0.02) 247: torsion ( -0.580, -7.062, -4.838) ( -0.580, -7.062, -4.838) ( 0.01, 0.00, 0.00) 247: vdw ( 4.575, -4.018, -3.745) ( 4.575, -4.018, -3.744) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 ( 38.280, 17.925, 3.568) ( 38.330, 17.968, 3.615) ( 0.13, 0.24, 1.30) 247: bond (-69.082, -10.191, -36.229) (-69.044, -10.157, -36.192) ( 0.05, 0.33, 0.10) 247: angle (107.978, 26.787, 34.426) (107.991, 26.797, 34.436) ( 0.01, 0.04, 0.03) 247: torsion ( -1.672, 4.500, 7.054) ( -1.673, 4.500, 7.054) ( 0.01, 0.00, 0.00) 247: vdw ( 1.056, -3.172, -1.683) ( 1.056, -3.172, -1.683) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-98.542, 74.045, 2.083) (-98.495, 74.097, 2.128) ( 0.05, 0.07, 2.18) 247: bond (-141.621, 186.409, 73.122) (-141.586, 186.449, 73.158) ( 0.02, 0.02, 0.05) 247: angle ( 34.325, -116.783, -77.784) ( 34.337, -116.772, -77.775) ( 0.03, 0.01, 0.01) 247: torsion ( 5.221, 5.365, 2.771) ( 5.221, 5.366, 2.771) ( 0.00, 0.01, 0.01) 247: vdw ( 3.533, -0.946, 3.974) ( 3.533, -0.946, 3.974) ( 0.00, 0.02, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 ( 36.346, -83.238, 61.357) ( 36.394, -83.190, 61.402) ( 0.13, 0.06, 0.07) 247: bond (147.059, -249.016, 46.400) (147.096, -248.980, 46.437) ( 0.03, 0.01, 0.08) 247: angle (-110.087, 158.572, 20.299) (-110.076, 158.583, 20.307) ( 0.01, 0.01, 0.04) 247: torsion ( -0.419, 7.923, -3.565) ( -0.419, 7.923, -3.565) ( 0.01, 0.01, 0.01) 247: vdw ( -0.207, -0.717, -1.777) ( -0.207, -0.717, -1.777) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 14 (-48.694, -19.654, -22.015) (-48.645, -19.604, -21.969) ( 0.10, 0.25, 0.21) 247: bond (-177.197, 144.883, -85.836) (-177.159, 144.920, -85.800) ( 0.02, 0.03, 0.04) 247: angle (124.575, -165.352, 61.932) (124.586, -165.340, 61.941) ( 0.01, 0.01, 0.01) 247: torsion ( 3.993, -1.169, -0.328) ( 3.993, -1.169, -0.328) ( 0.01, 0.03, 0.02) 247: vdw ( -0.065, 1.984, 2.217) ( -0.065, 1.985, 2.217) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 (-71.792, -15.511, 1.596) (-71.745, -15.461, 1.641) ( 0.07, 0.32, 2.85) 247: bond ( 20.082, -185.807, 55.479) ( 20.118, -185.771, 55.516) ( 0.18, 0.02, 0.07) 247: angle (-91.970, 175.343, -54.362) (-91.959, 175.356, -54.354) ( 0.01, 0.01, 0.01) 247: torsion ( -3.370, 1.693, -3.891) ( -3.369, 1.694, -3.891) ( 0.01, 0.02, 0.02) 247: vdw ( 3.466, -6.740, 4.370) ( 3.466, -6.740, 4.370) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 ( 51.385, -21.587, 21.356) ( 51.434, -21.539, 21.402) ( 0.10, 0.22, 0.21) 247: bond (-19.694, 121.030, -58.118) (-19.656, 121.065, -58.081) ( 0.19, 0.03, 0.06) 247: angle ( 69.837, -141.903, 61.310) ( 69.849, -141.891, 61.318) ( 0.02, 0.01, 0.01) 247: torsion ( 2.559, -0.466, 18.458) ( 2.560, -0.466, 18.459) ( 0.00, 0.02, 0.00) 247: vdw ( -1.318, -0.247, -0.294) ( -1.318, -0.247, -0.294) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 17 (-10.253, -102.133, -51.010) (-10.207, -102.084, -50.966) ( 0.45, 0.05, 0.09) 247: bond (-28.447, -159.003, 29.684) (-28.413, -158.965, 29.719) ( 0.12, 0.02, 0.12) 247: angle ( 12.943, 52.128, -74.991) ( 12.954, 52.138, -74.982) ( 0.09, 0.02, 0.01) 247: torsion ( 3.356, 4.210, -5.951) ( 3.357, 4.210, -5.951) ( 0.01, 0.01, 0.01) 247: vdw ( 1.895, 0.533, 0.247) ( 1.895, 0.533, 0.247) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (-54.928, 102.095, 29.273) (-54.879, 102.144, 29.321) ( 0.09, 0.05, 0.16) 247: bond ( 11.301, 32.987, -2.137) ( 11.337, 33.023, -2.101) ( 0.32, 0.11, 1.69) 247: angle (-69.740, 63.731, 23.901) (-69.728, 63.743, 23.912) ( 0.02, 0.02, 0.05) 247: torsion ( 5.988, 1.482, 9.002) ( 5.988, 1.482, 9.002) ( 0.00, 0.01, 0.01) 247: vdw ( -2.477, 3.896, -1.492) ( -2.477, 3.896, -1.492) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 ( 69.073, 20.711, 31.491) ( 69.123, 20.760, 31.539) ( 0.07, 0.24, 0.15) 247: bond (-21.798, 14.016, -5.128) (-21.761, 14.052, -5.092) ( 0.17, 0.26, 0.70) 247: angle ( 80.219, 8.337, 47.063) ( 80.232, 8.349, 47.075) ( 0.02, 0.15, 0.02) 247: torsion ( 3.727, -2.310, -8.511) ( 3.727, -2.310, -8.511) ( 0.00, 0.02, 0.00) 247: vdw ( 6.925, 0.668, -1.933) ( 6.925, 0.668, -1.933) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 ( -7.171, 23.454, -62.548) ( -7.123, 23.503, -62.499) ( 0.67, 0.21, 0.08) 247: bond ( 23.122, -25.258, 29.921) ( 23.158, -25.222, 29.958) ( 0.16, 0.14, 0.12) 247: angle (-11.516, 45.007, -87.338) (-11.504, 45.019, -87.325) ( 0.10, 0.03, 0.01) 247: torsion ( -9.097, -1.641, 0.497) ( -9.097, -1.640, 0.497) ( 0.00, 0.02, 0.00) 247: vdw ( -9.681, 5.346, -5.628) ( -9.680, 5.346, -5.628) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (144.865, -30.438, -24.155) (144.917, -30.393, -24.106) ( 0.04, 0.15, 0.20) 247: bond (239.288, 1.092, -29.295) (239.327, 1.126, -29.259) ( 0.02, 3.11, 0.12) 247: angle (-88.078, -27.976, 1.591) (-88.067, -27.965, 1.604) ( 0.01, 0.04, 0.78) 247: torsion ( -7.170, -3.843, 5.011) ( -7.169, -3.842, 5.012) ( 0.01, 0.02, 0.01) 247: vdw ( 0.825, 0.289, -1.463) ( 0.825, 0.289, -1.463) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (-20.334, 2.956, 65.639) (-20.286, 3.004, 65.690) ( 0.24, 1.64, 0.08) 247: bond ( 19.005, -37.785, -74.502) ( 19.040, -37.749, -74.464) ( 0.19, 0.10, 0.05) 247: angle (-42.069, 41.502, 132.387) (-42.057, 41.514, 132.400) ( 0.03, 0.03, 0.01) 247: torsion ( 2.721, -5.226, 2.966) ( 2.721, -5.225, 2.966) ( 0.02, 0.01, 0.00) 247: vdw ( 0.010, 4.465, 4.787) ( 0.010, 4.465, 4.787) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 (-11.747, 14.520, -78.438) (-11.700, 14.568, -78.390) ( 0.40, 0.33, 0.06) 247: bond (-71.103, -56.281, 36.238) (-71.066, -56.245, 36.274) ( 0.05, 0.06, 0.10) 247: angle ( 64.964, 52.726, -106.755) ( 64.974, 52.736, -106.743) ( 0.02, 0.02, 0.01) 247: torsion ( -1.038, 13.634, -5.367) ( -1.037, 13.635, -5.367) ( 0.03, 0.01, 0.01) 247: vdw ( -4.571, 4.440, -2.554) ( -4.571, 4.441, -2.554) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (-32.475, 31.345, 32.192) (-32.426, 31.394, 32.237) ( 0.15, 0.16, 0.14) 247: bond (102.715, -66.398, -21.758) (102.751, -66.360, -21.722) ( 0.03, 0.06, 0.16) 247: angle (-123.808, 88.959, 53.785) (-123.795, 88.970, 53.794) ( 0.01, 0.01, 0.02) 247: torsion (-10.267, 8.070, 8.876) (-10.266, 8.070, 8.877) ( 0.00, 0.00, 0.01) 247: vdw ( -1.115, 0.714, -8.712) ( -1.115, 0.714, -8.711) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 (-103.569, -128.136, 25.148) (-103.521, -128.087, 25.195) ( 0.05, 0.04, 0.19) 247: bond (-211.119, -73.410, 130.098) (-211.083, -73.372, 130.134) ( 0.02, 0.05, 0.03) 247: angle (101.310, -53.221, -82.739) (101.321, -53.210, -82.729) ( 0.01, 0.02, 0.01) 247: torsion ( 5.623, -5.739, -21.891) ( 5.624, -5.739, -21.890) ( 0.01, 0.01, 0.00) 247: vdw ( 0.617, 4.234, -0.319) ( 0.617, 4.234, -0.319) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 (148.003, -52.584, -46.357) (148.054, -52.537, -46.309) ( 0.03, 0.09, 0.10) 247: bond (221.998, -39.244, -98.043) (222.035, -39.208, -98.006) ( 0.02, 0.09, 0.04) 247: angle (-70.313, -11.690, 49.482) (-70.300, -11.680, 49.490) ( 0.02, 0.09, 0.02) 247: torsion ( -2.951, -1.563, 3.076) ( -2.951, -1.562, 3.078) ( 0.01, 0.06, 0.06) 247: vdw ( -0.731, -0.087, -0.871) ( -0.731, -0.086, -0.871) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (-28.670, 8.134, 59.350) (-28.622, 8.183, 59.400) ( 0.17, 0.60, 0.09) 247: bond ( 16.428, -45.067, -62.295) ( 16.463, -45.031, -62.257) ( 0.22, 0.08, 0.06) 247: angle (-41.522, 59.612, 114.960) (-41.510, 59.624, 114.973) ( 0.03, 0.02, 0.01) 247: torsion ( -2.101, -4.714, 1.575) ( -2.100, -4.713, 1.575) ( 0.02, 0.01, 0.01) 247: vdw ( -1.474, -1.697, 5.109) ( -1.474, -1.697, 5.109) ( 0.02, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 (-65.776, -116.444, -168.849) (-65.743, -116.432, -168.814) ( 0.05, 0.01, 0.02) 247: bond (-91.400, -64.178, -145.605) (-91.369, -64.168, -145.576) ( 0.03, 0.02, 0.02) 247: angle ( 5.291, 5.909, -19.982) ( 5.292, 5.911, -19.975) ( 0.03, 0.03, 0.03) 247: torsion ( 24.755, -54.327, -0.890) ( 24.755, -54.327, -0.890) ( 0.00, 0.00, 0.01) 247: vdw ( -4.356, -3.531, -2.419) ( -4.356, -3.531, -2.419) ( 0.00, 0.00, 0.00) 247: electro ( -0.065, -0.317, 0.047) ( -0.065, -0.317, 0.047) ( 0.00, 0.00, 0.00) 247: 29 ( 13.541, -1.375, 14.413) ( 13.545, -1.368, 14.436) ( 0.03, 0.57, 0.16) 247: bond ( -2.527, 6.305, 13.258) ( -2.526, 6.310, 13.280) ( 0.03, 0.08, 0.17) 247: angle ( -1.790, -7.991, 3.455) ( -1.787, -7.989, 3.456) ( 0.15, 0.03, 0.02) 247: torsion ( 11.156, 1.862, 1.237) ( 11.156, 1.862, 1.237) ( 0.00, 0.01, 0.00) 247: vdw ( 6.701, -1.551, -3.538) ( 6.702, -1.551, -3.538) ( 0.01, 0.02, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 ( 13.658, 3.967, 4.154) ( 13.663, 3.973, 4.179) ( 0.04, 0.14, 0.60) 247: bond ( -4.385, 6.385, 21.147) ( -4.384, 6.387, 21.172) ( 0.02, 0.03, 0.12) 247: angle ( -5.782, 6.470, -3.150) ( -5.779, 6.473, -3.149) ( 0.05, 0.04, 0.01) 247: torsion ( -7.214, 3.986, -2.696) ( -7.214, 3.986, -2.696) ( 0.00, 0.01, 0.00) 247: vdw ( 31.039, -12.874, -11.148) ( 31.040, -12.874, -11.148) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 ( 1.990, 9.393, 5.876) ( 1.994, 9.399, 5.901) ( 0.22, 0.06, 0.42) 247: bond ( -2.566, 4.555, 13.872) ( -2.565, 4.558, 13.897) ( 0.03, 0.06, 0.18) 247: angle ( -2.429, 9.198, -3.466) ( -2.426, 9.201, -3.466) ( 0.12, 0.03, 0.01) 247: torsion ( 6.879, 9.288, -1.777) ( 6.879, 9.289, -1.777) ( 0.00, 0.00, 0.00) 247: vdw ( 0.105, -13.649, -2.753) ( 0.106, -13.648, -2.753) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 ( 57.837, 1.786, -27.115) ( 57.842, 1.793, -27.093) ( 0.01, 0.42, 0.08) 247: bond ( 3.506, -7.742, -15.918) ( 3.507, -7.737, -15.897) ( 0.03, 0.07, 0.14) 247: angle ( 9.605, 7.418, -1.493) ( 9.608, 7.421, -1.492) ( 0.03, 0.03, 0.04) 247: torsion ( 18.659, -1.057, 4.631) ( 18.659, -1.057, 4.631) ( 0.00, 0.00, 0.00) 247: vdw ( 26.067, 3.167, -14.335) ( 26.068, 3.167, -14.335) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 ( 14.364, -13.743, -37.821) ( 14.377, -13.739, -37.804) ( 0.10, 0.03, 0.05) 247: bond ( -7.727, 1.849, -8.864) ( -7.715, 1.850, -8.848) ( 0.15, 0.03, 0.17) 247: angle ( 33.140, -19.453, -32.965) ( 33.142, -19.450, -32.963) ( 0.01, 0.01, 0.01) 247: torsion ( -4.366, 1.112, 4.039) ( -4.366, 1.112, 4.039) ( 0.00, 0.01, 0.00) 247: vdw ( -6.683, 2.749, -0.032) ( -6.683, 2.750, -0.032) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 34 ( 23.884, -10.167, 29.657) ( 23.892, -10.160, 29.677) ( 0.04, 0.07, 0.07) 247: bond ( -7.250, 6.500, 13.231) ( -7.245, 6.504, 13.249) ( 0.07, 0.07, 0.14) 247: angle ( 47.238, -12.047, 31.744) ( 47.240, -12.044, 31.746) ( 0.01, 0.02, 0.00) 247: torsion ( 9.341, -1.519, 5.853) ( 9.341, -1.519, 5.854) ( 0.00, 0.00, 0.00) 247: vdw (-25.444, -3.102, -21.171) (-25.444, -3.102, -21.171) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 35 ( 10.332, -31.970, 1.348) ( 10.338, -31.963, 1.370) ( 0.06, 0.02, 1.69) 247: bond ( 3.124, -3.066, -8.742) ( 3.127, -3.063, -8.719) ( 0.09, 0.09, 0.25) 247: angle ( 12.608, -22.166, 12.308) ( 12.611, -22.163, 12.308) ( 0.02, 0.01, 0.00) 247: torsion ( 0.153, -7.870, 2.819) ( 0.153, -7.869, 2.819) ( 0.00, 0.00, 0.00) 247: vdw ( -5.553, 1.132, -5.038) ( -5.553, 1.132, -5.038) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 36 ( -6.466, 20.884, 20.761) ( -6.462, 20.911, 20.765) ( 0.07, 0.13, 0.02) 247: bond ( -3.810, 19.131, -1.834) ( -3.809, 19.158, -1.834) ( 0.03, 0.14, 0.01) 247: angle ( 4.504, 3.776, 30.076) ( 4.507, 3.776, 30.079) ( 0.06, 0.00, 0.01) 247: torsion ( 2.297, 0.110, -3.623) ( 2.297, 0.110, -3.623) ( 0.00, 0.00, 0.01) 247: vdw ( -9.457, -2.132, -3.858) ( -9.456, -2.132, -3.858) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 37 (-12.946, 50.711, 2.547) (-12.941, 50.715, 2.571) ( 0.05, 0.01, 0.96) 247: bond ( -4.292, 1.550, 11.849) ( -4.289, 1.550, 11.873) ( 0.07, 0.02, 0.20) 247: angle (-11.613, 41.830, -9.657) (-11.611, 41.833, -9.657) ( 0.02, 0.01, 0.00) 247: torsion ( -0.350, 14.090, -1.966) ( -0.350, 14.090, -1.966) ( 0.00, 0.00, 0.00) 247: vdw ( 3.310, -6.758, 2.322) ( 3.310, -6.758, 2.322) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 38 ( 12.162, -2.679, -25.125) ( 12.166, -2.652, -25.121) ( 0.04, 0.99, 0.01) 247: bond ( 0.872, -4.448, -0.345) ( 0.873, -4.421, -0.345) ( 0.09, 0.60, 0.00) 247: angle ( 29.617, 8.776, -37.482) ( 29.620, 8.776, -37.478) ( 0.01, 0.00, 0.01) 247: torsion ( -3.954, -1.555, 9.923) ( -3.954, -1.555, 9.923) ( 0.00, 0.00, 0.00) 247: vdw (-14.374, -5.451, 2.779) (-14.373, -5.451, 2.779) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 39 (-11.317, 11.623, 1.301) (-11.314, 11.651, 1.304) ( 0.03, 0.24, 0.26) 247: bond ( -0.745, 13.908, -2.464) ( -0.745, 13.936, -2.463) ( 0.01, 0.20, 0.04) 247: angle (-23.223, -1.528, -1.621) (-23.220, -1.528, -1.621) ( 0.01, 0.00, 0.00) 247: torsion ( 0.064, 0.711, 4.004) ( 0.064, 0.712, 4.006) ( 0.00, 0.00, 0.06) 247: vdw ( 12.897, -1.590, 1.285) ( 12.898, -1.590, 1.285) ( 0.00, 0.00, 0.00) 247: electro ( -0.311, 0.122, 0.097) ( -0.311, 0.122, 0.097) ( 0.00, 0.00, 0.00) 247: 40 ( 9.143, 6.478, 24.537) ( 9.153, 6.483, 24.556) ( 0.11, 0.08, 0.08) 247: bond ( 10.107, -5.604, 15.334) ( 10.114, -5.601, 15.351) ( 0.08, 0.04, 0.12) 247: angle ( -9.548, 13.884, 11.355) ( -9.546, 13.887, 11.357) ( 0.02, 0.02, 0.01) 247: torsion ( 6.178, 3.402, -2.829) ( 6.179, 3.402, -2.829) ( 0.00, 0.00, 0.00) 247: vdw ( 2.406, -5.205, 0.678) ( 2.406, -5.205, 0.678) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 41 ( -4.650, 7.844, -34.403) ( -4.641, 7.850, -34.384) ( 0.20, 0.07, 0.06) 247: bond ( 10.859, -6.746, -17.542) ( 10.866, -6.743, -17.524) ( 0.06, 0.04, 0.10) 247: angle ( -5.836, 27.046, -14.027) ( -5.834, 27.049, -14.026) ( 0.04, 0.01, 0.01) 247: torsion ( -7.800, -2.305, -3.950) ( -7.800, -2.304, -3.950) ( 0.00, 0.00, 0.00) 247: vdw ( -1.873, -10.151, 1.116) ( -1.873, -10.151, 1.116) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 42 (-18.227, 16.574, 22.437) (-18.223, 16.579, 22.464) ( 0.02, 0.03, 0.12) 247: bond ( -4.536, -1.204, 23.491) ( -4.535, -1.204, 23.517) ( 0.02, 0.00, 0.11) 247: angle (-18.756, 29.534, -2.104) (-18.754, 29.538, -2.104) ( 0.01, 0.01, 0.00) 247: torsion ( -0.359, 12.650, 0.578) ( -0.359, 12.650, 0.578) ( 0.00, 0.00, 0.00) 247: vdw ( 5.424, -24.406, 0.473) ( 5.425, -24.406, 0.473) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 43 ( 9.439, -23.152, -26.152) ( 9.445, -23.130, -26.147) ( 0.07, 0.10, 0.02) 247: bond ( 10.127, -23.154, -7.124) ( 10.131, -23.133, -7.122) ( 0.04, 0.09, 0.03) 247: angle ( 3.098, 12.480, -36.129) ( 3.100, 12.481, -36.126) ( 0.07, 0.00, 0.01) 247: torsion ( -4.414, -5.361, 11.133) ( -4.414, -5.361, 11.133) ( 0.00, 0.00, 0.00) 247: vdw ( 0.628, -7.117, 5.968) ( 0.628, -7.117, 5.968) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 44 (-18.308, 21.708, 37.195) (-18.302, 21.715, 37.216) ( 0.03, 0.03, 0.06) 247: bond ( 12.023, 14.421, 31.723) ( 12.026, 14.425, 31.744) ( 0.02, 0.03, 0.06) 247: angle (-25.967, 22.741, -0.499) (-25.964, 22.743, -0.498) ( 0.01, 0.01, 0.04) 247: torsion ( -6.470, -5.757, 5.067) ( -6.470, -5.757, 5.067) ( 0.00, 0.00, 0.00) 247: vdw ( 2.106, -9.696, 0.903) ( 2.106, -9.695, 0.903) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 45 ( 17.466, -4.350, -19.478) ( 17.485, -4.344, -19.468) ( 0.11, 0.14, 0.05) 247: bond ( 15.328, -6.631, -9.661) ( 15.346, -6.628, -9.654) ( 0.11, 0.05, 0.07) 247: angle (-12.774, -6.804, -15.635) (-12.772, -6.801, -15.633) ( 0.01, 0.04, 0.02) 247: torsion ( 4.665, 8.801, 1.373) ( 4.665, 8.801, 1.373) ( 0.00, 0.00, 0.01) 247: vdw ( 10.247, 0.284, 4.446) ( 10.247, 0.284, 4.446) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 46 ( 5.443, -10.453, 10.349) ( 5.446, -10.446, 10.374) ( 0.06, 0.07, 0.24) 247: bond ( -1.383, 3.610, 10.485) ( -1.382, 3.613, 10.510) ( 0.03, 0.08, 0.23) 247: angle ( -3.762, 9.525, -3.770) ( -3.759, 9.528, -3.769) ( 0.07, 0.03, 0.01) 247: torsion ( 2.060, -14.244, 5.167) ( 2.060, -14.244, 5.167) ( 0.00, 0.00, 0.00) 247: vdw ( 8.527, -9.343, -1.534) ( 8.528, -9.342, -1.534) ( 0.01, 0.01, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 47 ( 14.909, 24.069, -0.998) ( 14.921, 24.080, -0.985) ( 0.08, 0.04, 1.22) 247: bond (-19.186, 18.209, 19.946) (-19.177, 18.217, 19.955) ( 0.05, 0.05, 0.05) 247: angle (-10.140, -12.273, 1.458) (-10.138, -12.271, 1.460) ( 0.02, 0.02, 0.11) 247: torsion ( 1.713, -3.616, 4.947) ( 1.713, -3.616, 4.947) ( 0.00, 0.00, 0.00) 247: vdw ( 42.522, 21.749, -27.348) ( 42.523, 21.749, -27.347) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 48 ( 0.271, -6.369, -45.452) ( 0.284, -6.356, -45.443) ( 0.33, 0.21, 0.02) 247: bond ( 15.320, -16.319, -12.372) ( 15.330, -16.308, -12.365) ( 0.06, 0.07, 0.05) 247: angle ( -6.821, 10.229, -21.950) ( -6.819, 10.231, -21.947) ( 0.03, 0.02, 0.01) 247: torsion ( -4.990, 5.362, -13.259) ( -4.990, 5.362, -13.259) ( 0.00, 0.00, 0.00) 247: vdw ( -3.237, -5.641, 2.128) ( -3.237, -5.641, 2.128) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 49 ( 1.829, 5.218, 10.089) ( 1.832, 5.223, 10.115) ( 0.19, 0.10, 0.26) 247: bond ( 0.604, -2.066, 9.001) ( 0.604, -2.065, 9.027) ( 0.00, 0.06, 0.29) 247: angle (-16.609, 6.716, 2.648) (-16.606, 6.719, 2.648) ( 0.02, 0.05, 0.01) 247: torsion ( 8.906, -7.026, -2.203) ( 8.906, -7.026, -2.203) ( 0.00, 0.00, 0.00) 247: vdw ( 8.928, 7.594, 0.643) ( 8.928, 7.595, 0.643) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 50 (-11.640, 3.698, 15.971) (-11.634, 3.710, 15.987) ( 0.06, 0.32, 0.10) 247: bond ( -5.694, 8.448, 10.662) ( -5.690, 8.457, 10.677) ( 0.07, 0.11, 0.14) 247: angle ( 7.408, -8.795, 10.912) ( 7.411, -8.792, 10.914) ( 0.03, 0.02, 0.02) 247: torsion ( -7.136, 5.355, -8.045) ( -7.136, 5.355, -8.045) ( 0.00, 0.00, 0.00) 247: vdw ( -6.219, -1.310, 2.441) ( -6.218, -1.310, 2.441) ( 0.00, 0.03, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 51 ( 66.926, 4.468, -23.568) ( 66.934, 4.475, -23.545) ( 0.01, 0.16, 0.10) 247: bond (-15.111, 19.836, -44.913) (-15.108, 19.840, -44.892) ( 0.01, 0.02, 0.05) 247: angle (-11.684, -27.275, -8.122) (-11.681, -27.272, -8.122) ( 0.02, 0.01, 0.01) 247: torsion ( 8.855, -9.794, -7.309) ( 8.855, -9.794, -7.309) ( 0.00, 0.00, 0.00) 247: vdw ( 84.866, 21.701, 36.777) ( 84.869, 21.701, 36.777) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 52 (-18.901, 20.130, 41.937) (-18.895, 20.135, 41.961) ( 0.03, 0.02, 0.06) 247: bond ( 8.042, -5.998, 22.303) ( 8.045, -5.996, 22.326) ( 0.04, 0.03, 0.10) 247: angle (-15.750, 30.338, 13.823) (-15.747, 30.341, 13.824) ( 0.02, 0.01, 0.00) 247: torsion ( -8.777, 2.120, 3.732) ( -8.777, 2.120, 3.732) ( 0.00, 0.01, 0.00) 247: vdw ( -2.416, -6.330, 2.079) ( -2.416, -6.330, 2.079) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 53 ( -2.896, -4.389, -11.917) ( -2.889, -4.374, -11.904) ( 0.24, 0.34, 0.11) 247: bond ( 1.758, -3.138, -2.882) ( 1.762, -3.126, -2.871) ( 0.23, 0.41, 0.38) 247: angle (-18.853, 1.811, -13.541) (-18.850, 1.812, -13.539) ( 0.01, 0.09, 0.02) 247: torsion ( 8.054, 2.591, 2.121) ( 8.054, 2.591, 2.121) ( 0.00, 0.00, 0.00) 247: vdw ( 6.145, -5.652, 2.385) ( 6.145, -5.652, 2.385) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 54 (-15.234, -2.793, -16.466) (-15.230, -2.789, -16.439) ( 0.02, 0.13, 0.17) 247: bond ( 0.489, -0.125, -5.592) ( 0.489, -0.125, -5.564) ( 0.01, 0.00, 0.49) 247: angle ( -0.277, -2.344, 0.028) ( -0.274, -2.342, 0.028) ( 0.07, 0.12, 0.00) 247: torsion (-15.165, -2.831, -1.270) (-15.165, -2.831, -1.270) ( 0.00, 0.01, 0.00) 247: vdw ( -0.280, 2.507, -9.633) ( -0.280, 2.508, -9.633) ( 0.00, 0.02, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 55 (-35.014, -23.448, -13.773) (-34.988, -23.444, -13.767) ( 0.07, 0.02, 0.04) 247: bond (-42.421, -3.708, -12.496) (-42.395, -3.708, -12.494) ( 0.06, 0.00, 0.02) 247: angle ( 2.620, -44.077, 4.186) ( 2.620, -44.074, 4.190) ( 0.01, 0.01, 0.09) 247: torsion ( 1.119, 1.922, -4.368) ( 1.119, 1.922, -4.368) ( 0.00, 0.00, 0.00) 247: vdw ( 3.668, 22.415, -1.095) ( 3.668, 22.416, -1.095) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 56 ( -5.812, -27.433, 37.928) ( -5.808, -27.429, 37.955) ( 0.07, 0.02, 0.07) 247: bond ( 0.956, 6.372, 29.517) ( 0.956, 6.373, 29.544) ( 0.01, 0.02, 0.09) 247: angle ( 6.708, -34.340, 7.190) ( 6.712, -34.336, 7.190) ( 0.06, 0.01, 0.00) 247: torsion ( -5.135, -3.628, 0.949) ( -5.135, -3.628, 0.949) ( 0.00, 0.00, 0.00) 247: vdw ( -8.342, 4.162, 0.272) ( -8.341, 4.162, 0.272) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 57 ( 24.496, -2.483, -6.484) ( 24.503, -2.464, -6.474) ( 0.03, 0.75, 0.15) 247: bond ( 2.792, 5.902, -3.640) ( 2.795, 5.919, -3.634) ( 0.14, 0.29, 0.18) 247: angle ( 24.017, -16.515, -8.425) ( 24.020, -16.514, -8.422) ( 0.01, 0.01, 0.04) 247: torsion ( 3.410, 1.056, 4.344) ( 3.410, 1.056, 4.344) ( 0.00, 0.00, 0.00) 247: vdw ( -5.722, 7.074, 1.237) ( -5.722, 7.074, 1.237) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 58 ( -1.265, -41.556, -20.451) ( -1.253, -41.537, -20.446) ( 0.92, 0.05, 0.02) 247: bond ( 19.836, -27.005, -6.315) ( 19.845, -26.988, -6.314) ( 0.05, 0.06, 0.01) 247: angle (-27.049, -17.025, -12.251) (-27.047, -17.024, -12.247) ( 0.01, 0.01, 0.03) 247: torsion ( 0.947, 1.352, -2.804) ( 0.947, 1.352, -2.804) ( 0.00, 0.00, 0.00) 247: vdw ( 5.002, 1.122, 0.919) ( 5.002, 1.123, 0.919) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 59 (-12.302, 15.241, -22.467) (-12.293, 15.260, -22.460) ( 0.07, 0.13, 0.03) 247: bond ( 5.921, 10.746, -5.413) ( 5.926, 10.764, -5.409) ( 0.09, 0.17, 0.08) 247: angle (-24.933, 2.911, -21.522) (-24.930, 2.913, -21.519) ( 0.01, 0.05, 0.01) 247: torsion ( -1.179, 1.820, 2.330) ( -1.179, 1.820, 2.331) ( 0.00, 0.00, 0.00) 247: vdw ( 7.889, -0.236, 2.137) ( 7.889, -0.236, 2.137) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 60 (-22.289, -13.877, 21.831) (-22.285, -13.872, 21.858) ( 0.02, 0.03, 0.12) 247: bond ( -0.454, 2.644, 18.216) ( -0.454, 2.645, 18.243) ( 0.00, 0.02, 0.15) 247: angle (-31.660, -11.577, 0.890) (-31.657, -11.573, 0.890) ( 0.01, 0.03, 0.01) 247: torsion ( 0.274, -3.709, 0.545) ( 0.274, -3.709, 0.545) ( 0.00, 0.00, 0.00) 247: vdw ( 9.552, -1.235, 2.180) ( 9.552, -1.235, 2.180) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 61 (-39.791, -21.672, 6.376) (-39.767, -21.666, 6.382) ( 0.06, 0.02, 0.11) 247: bond (-38.512, -9.274, -15.814) (-38.489, -9.273, -15.810) ( 0.06, 0.01, 0.02) 247: angle ( -4.902, -31.814, 30.587) ( -4.902, -31.810, 30.590) ( 0.02, 0.01, 0.01) 247: torsion ( -2.164, 5.162, 2.239) ( -2.164, 5.162, 2.239) ( 0.00, 0.00, 0.00) 247: vdw ( 5.787, 14.254, -10.637) ( 5.788, 14.254, -10.637) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 62 (-51.597, 18.758, -5.963) (-51.591, 18.785, -5.959) ( 0.01, 0.15, 0.06) 247: bond ( 3.501, 40.620, -1.367) ( 3.501, 40.647, -1.367) ( 0.00, 0.07, 0.01) 247: angle ( 23.290, -0.699, 38.845) ( 23.294, -0.699, 38.848) ( 0.02, 0.00, 0.01) 247: torsion ( 6.343, -0.580, -1.005) ( 6.344, -0.580, -1.005) ( 0.00, 0.00, 0.00) 247: vdw (-84.732, -20.583, -42.435) (-84.729, -20.583, -42.435) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 63 ( 18.779, -14.958, -2.598) ( 18.794, -14.951, -2.585) ( 0.08, 0.05, 0.48) 247: bond ( 12.071, -6.940, -10.740) ( 12.084, -6.936, -10.729) ( 0.11, 0.06, 0.10) 247: angle ( 9.842, -9.251, 17.064) ( 9.844, -9.248, 17.066) ( 0.02, 0.03, 0.01) 247: torsion ( -3.735, -4.539, -1.272) ( -3.735, -4.539, -1.272) ( 0.00, 0.00, 0.00) 247: vdw ( 0.601, 5.772, -7.650) ( 0.601, 5.772, -7.649) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 64 ( -7.737, -18.679, -1.345) ( -7.710, -18.674, -1.340) ( 0.34, 0.03, 0.41) 247: bond (-31.885, -5.119, 7.694) (-31.859, -5.118, 7.696) ( 0.08, 0.01, 0.02) 247: angle ( -7.715, -28.179, -50.681) ( -7.715, -28.175, -50.678) ( 0.00, 0.01, 0.01) 247: torsion ( 1.280, -4.540, 2.282) ( 1.280, -4.540, 2.282) ( 0.00, 0.00, 0.00) 247: vdw ( 30.583, 19.159, 39.360) ( 30.583, 19.159, 39.361) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 65 ( 40.384, -7.087, -1.162) ( 40.395, -7.079, -1.145) ( 0.03, 0.12, 1.44) 247: bond ( 18.276, -13.631, 25.487) ( 18.284, -13.627, 25.503) ( 0.04, 0.03, 0.06) 247: angle ( 33.298, -22.150, -35.710) ( 33.301, -22.147, -35.709) ( 0.01, 0.01, 0.00) 247: torsion ( 3.662, 3.773, -0.609) ( 3.662, 3.773, -0.609) ( 0.00, 0.00, 0.00) 247: vdw (-14.851, 24.922, 9.670) (-14.851, 24.922, 9.670) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 66 (-18.935, 17.431, -6.491) (-18.930, 17.458, -6.487) ( 0.03, 0.16, 0.06) 247: bond ( 5.481, 39.355, 1.074) ( 5.482, 39.383, 1.074) ( 0.01, 0.07, 0.02) 247: angle ( 25.175, -2.445, -38.854) ( 25.178, -2.445, -38.851) ( 0.01, 0.00, 0.01) 247: torsion ( -4.466, 0.662, -1.498) ( -4.466, 0.662, -1.498) ( 0.00, 0.00, 0.00) 247: vdw (-45.125, -20.141, 32.788) (-45.124, -20.141, 32.788) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 67 ( -2.632, 24.315, 23.802) ( -2.628, 24.342, 23.805) ( 0.13, 0.11, 0.02) 247: bond ( -2.205, 21.491, -0.922) ( -2.204, 21.518, -0.922) ( 0.01, 0.13, 0.00) 247: angle ( 0.322, 1.460, 33.287) ( 0.325, 1.460, 33.291) ( 0.09, 0.00, 0.01) 247: torsion ( 1.351, -0.167, -7.120) ( 1.351, -0.167, -7.120) ( 0.01, 0.00, 0.00) 247: vdw ( -2.100, 1.530, -1.443) ( -2.100, 1.530, -1.443) ( 0.01, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 68 ( 8.621, -30.526, -4.348) ( 8.627, -30.520, -4.325) ( 0.06, 0.02, 0.54) 247: bond ( 3.678, -3.681, -11.381) ( 3.681, -3.678, -11.358) ( 0.06, 0.06, 0.20) 247: angle ( 10.007, -25.098, 11.370) ( 10.010, -25.094, 11.370) ( 0.03, 0.01, 0.00) 247: torsion ( 1.105, -10.123, 3.636) ( 1.105, -10.123, 3.636) ( 0.00, 0.00, 0.00) 247: vdw ( -6.169, 8.376, -7.973) ( -6.168, 8.376, -7.973) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 69 ( 19.868, 12.686, 10.166) ( 19.877, 12.695, 10.185) ( 0.04, 0.07, 0.19) 247: bond (-17.162, 19.982, 30.757) (-17.157, 19.989, 30.773) ( 0.03, 0.03, 0.05) 247: angle ( 23.074, -23.287, 27.989) ( 23.077, -23.285, 27.991) ( 0.01, 0.01, 0.01) 247: torsion ( 11.543, -4.396, 9.291) ( 11.543, -4.396, 9.291) ( 0.00, 0.00, 0.00) 247: vdw ( 2.412, 20.386, -57.871) ( 2.413, 20.387, -57.870) ( 0.06, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 70 ( 3.856, -5.617, -23.123) ( 3.868, -5.613, -23.104) ( 0.31, 0.08, 0.08) 247: bond ( -7.666, 2.356, -10.475) ( -7.657, 2.357, -10.457) ( 0.12, 0.04, 0.17) 247: angle ( 15.864, -23.495, -16.914) ( 15.866, -23.492, -16.913) ( 0.01, 0.01, 0.01) 247: torsion ( -7.048, 5.024, 6.293) ( -7.048, 5.024, 6.293) ( 0.00, 0.00, 0.00) 247: vdw ( 2.706, 10.498, -2.027) ( 2.707, 10.498, -2.027) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 71 ( -2.147, -23.094, -11.990) ( -2.124, -23.086, -11.983) ( 1.06, 0.03, 0.05) 247: bond (-18.976, -7.679, 6.984) (-18.955, -7.675, 6.987) ( 0.11, 0.04, 0.04) 247: angle ( -6.130, -29.366, -48.884) ( -6.129, -29.363, -48.881) ( 0.02, 0.01, 0.01) 247: torsion ( 0.625, -0.949, 0.653) ( 0.625, -0.949, 0.653) ( 0.00, 0.01, 0.00) 247: vdw ( 22.334, 14.900, 29.256) ( 22.334, 14.900, 29.257) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 72 ( 20.627, -9.034, 0.423) ( 20.642, -9.030, 0.439) ( 0.07, 0.05, 0.69) 247: bond ( 18.783, -5.397, 20.943) ( 18.795, -5.396, 20.958) ( 0.06, 0.02, 0.07) 247: angle ( 36.607, -6.618, -34.536) ( 36.609, -6.615, -34.535) ( 0.01, 0.06, 0.00) 247: torsion ( 1.051, 1.742, -0.494) ( 1.051, 1.742, -0.494) ( 0.00, 0.01, 0.00) 247: vdw (-35.814, 1.239, 14.510) (-35.813, 1.239, 14.510) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 73 (-13.401, 18.857, -7.984) (-13.397, 18.885, -7.980) ( 0.04, 0.15, 0.05) 247: bond ( -4.324, 40.254, -3.034) ( -4.324, 40.282, -3.034) ( 0.00, 0.07, 0.00) 247: angle ( 25.583, -0.124, -38.116) ( 25.587, -0.124, -38.112) ( 0.01, 0.00, 0.01) 247: torsion ( -1.041, -0.132, -0.271) ( -1.040, -0.132, -0.271) ( 0.02, 0.00, 0.00) 247: vdw (-33.620, -21.141, 33.436) (-33.619, -21.141, 33.437) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 74 ( 37.644, 95.477, 158.215) ( 37.658, 95.483, 158.242) ( 0.04, 0.01, 0.02) 247: bond ( 96.412, 66.499, 143.448) ( 96.424, 66.506, 143.473) ( 0.01, 0.01, 0.02) 247: angle (-10.556, -4.320, 9.095) (-10.555, -4.320, 9.096) ( 0.02, 0.01, 0.01) 247: torsion (-20.678, 40.377, -4.819) (-20.678, 40.377, -4.819) ( 0.00, 0.00, 0.00) 247: vdw (-27.549, -7.301, 10.524) (-27.548, -7.301, 10.524) ( 0.00, 0.00, 0.00) 247: electro ( 0.016, 0.222, -0.032) ( 0.016, 0.222, -0.032) ( 0.00, 0.00, 0.00) 247: ok 22 # gradients 247: ok 23 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (1291.687, -969.396, 620.852) (1291.781, -969.306, 620.868) ( 0.01, 0.01, 0.00) 247: bond (1151.916, -865.000, 587.078) (1151.998, -864.921, 587.090) ( 0.01, 0.01, 0.00) 247: angle (141.394, -102.369, 34.491) (141.406, -102.358, 34.492) ( 0.01, 0.01, 0.00) 247: torsion ( 1.153, -0.854, -0.677) ( 1.153, -0.853, -0.674) ( 0.02, 0.04, 0.20) 247: vdw ( -2.776, -1.173, -0.040) ( -2.776, -1.173, -0.040) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (298.204, 971.668, -229.992) (298.273, 971.756, -229.978) ( 0.02, 0.01, 0.01) 247: bond (395.657, 810.891, -170.088) (395.712, 810.968, -170.079) ( 0.01, 0.01, 0.01) 247: angle (-92.800, 152.605, -73.608) (-92.786, 152.616, -73.606) ( 0.02, 0.01, 0.00) 247: torsion ( -3.841, 4.521, 15.987) ( -3.840, 4.521, 15.990) ( 0.01, 0.01, 0.02) 247: vdw ( -0.926, 3.157, -2.084) ( -0.926, 3.158, -2.084) ( 0.02, 0.00, 0.00) 247: electro ( 0.113, 0.494, -0.199) ( 0.113, 0.494, -0.199) ( 0.00, 0.00, 0.00) 247: 3 (-504.679, 126.706, -65.120) (-504.604, 126.804, -65.117) ( 0.01, 0.08, 0.00) 247: bond (-438.510, -79.388, -48.304) (-438.448, -79.301, -48.304) ( 0.01, 0.11, 0.00) 247: angle (-64.271, 207.170, -14.900) (-64.258, 207.181, -14.900) ( 0.02, 0.01, 0.00) 247: torsion ( -0.850, 2.083, -2.639) ( -0.850, 2.083, -2.637) ( 0.00, 0.00, 0.10) 247: vdw ( -0.986, -2.347, 0.473) ( -0.986, -2.346, 0.473) ( 0.00, 0.00, 0.00) 247: electro ( -0.063, -0.812, 0.250) ( -0.063, -0.812, 0.250) ( 0.00, 0.00, 0.00) 247: 4 ( 62.544, 529.216, -221.024) ( 62.642, 529.276, -221.001) ( 0.16, 0.01, 0.01) 247: bond ( 45.030, 519.764, -212.292) ( 45.117, 519.814, -212.273) ( 0.19, 0.01, 0.01) 247: angle ( 18.074, 9.875, -5.510) ( 18.085, 9.885, -5.509) ( 0.06, 0.10, 0.03) 247: torsion ( 1.294, -0.313, -3.148) ( 1.294, -0.312, -3.146) ( 0.01, 0.02, 0.07) 247: vdw ( -1.854, -0.110, -0.074) ( -1.854, -0.110, -0.074) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-22.770, 472.854, -228.617) (-22.763, 472.872, -228.611) ( 0.03, 0.00, 0.00) 247: bond ( 13.426, 481.568, -210.659) ( 13.429, 481.586, -210.653) ( 0.02, 0.00, 0.00) 247: angle (-28.169, -1.322, -4.817) (-28.165, -1.322, -4.817) ( 0.02, 0.00, 0.00) 247: torsion ( 2.580, -5.856, -13.223) ( 2.580, -5.856, -13.223) ( 0.00, 0.00, 0.00) 247: vdw (-10.608, -1.537, 0.082) (-10.607, -1.537, 0.082) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-928.350, -469.312, 34.230) (-928.250, -469.218, 34.249) ( 0.01, 0.02, 0.06) 247: bond (-902.944, -431.198, 18.869) (-902.856, -431.115, 18.883) ( 0.01, 0.02, 0.07) 247: angle (-25.680, -34.846, 9.724) (-25.668, -34.835, 9.726) ( 0.05, 0.03, 0.02) 247: torsion ( -0.760, 1.680, 3.423) ( -0.760, 1.680, 3.427) ( 0.00, 0.02, 0.11) 247: vdw ( 1.033, -4.949, 2.213) ( 1.033, -4.948, 2.213) ( 0.03, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-549.758, 286.552, -158.102) (-549.658, 286.644, -158.084) ( 0.02, 0.03, 0.01) 247: bond (-597.550, 340.749, -188.434) (-597.463, 340.828, -188.421) ( 0.01, 0.02, 0.01) 247: angle ( 49.931, -59.660, 27.577) ( 49.943, -59.648, 27.578) ( 0.02, 0.02, 0.01) 247: torsion ( -0.865, 0.514, 3.821) ( -0.865, 0.514, 3.825) ( 0.00, 0.02, 0.09) 247: vdw ( -1.273, 4.949, -1.066) ( -1.273, 4.949, -1.066) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (-34.667, 32.173, -9.961) (-34.567, 32.238, -9.950) ( 0.29, 0.20, 0.12) 247: bond (-46.132, -26.291, 2.900) (-46.046, -26.238, 2.907) ( 0.19, 0.20, 0.24) 247: angle ( 9.004, 61.588, -19.522) ( 9.017, 61.600, -19.521) ( 0.14, 0.02, 0.01) 247: torsion ( -0.650, 1.553, 4.817) ( -0.650, 1.553, 4.820) ( 0.00, 0.02, 0.06) 247: vdw ( 2.823, -4.536, 1.777) ( 2.823, -4.536, 1.777) ( 0.00, 0.00, 0.00) 247: electro ( 0.289, -0.142, 0.068) ( 0.289, -0.142, 0.068) ( 0.00, 0.00, 0.00) 247: 9 (334.527, 813.316, -260.363) (334.621, 813.379, -260.342) ( 0.03, 0.01, 0.01) 247: bond (341.270, 863.401, -379.423) (341.355, 863.451, -379.407) ( 0.02, 0.01, 0.00) 247: angle ( -9.599, -45.337, 140.803) ( -9.591, -45.324, 140.807) ( 0.09, 0.03, 0.00) 247: torsion ( 3.306, -5.368, -20.899) ( 3.306, -5.367, -20.897) ( 0.00, 0.00, 0.01) 247: vdw ( -0.449, 0.620, -0.845) ( -0.449, 0.620, -0.845) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 ( 50.138, -59.673, 18.059) ( 50.240, -59.609, 18.073) ( 0.20, 0.11, 0.08) 247: bond ( 48.676, -141.413, 55.636) ( 48.765, -141.363, 55.645) ( 0.18, 0.04, 0.02) 247: angle ( 3.823, 83.323, -28.467) ( 3.835, 83.336, -28.465) ( 0.32, 0.02, 0.01) 247: torsion ( 0.572, -1.857, -4.267) ( 0.572, -1.856, -4.265) ( 0.00, 0.02, 0.07) 247: vdw ( -2.723, 0.223, -4.741) ( -2.723, 0.223, -4.740) ( 0.01, 0.01, 0.00) 247: electro ( -0.209, 0.051, -0.103) ( -0.209, 0.051, -0.103) ( 0.00, 0.00, 0.00) 247: 11 (-392.354, 12.929, -110.427) (-392.268, 13.023, -110.411) ( 0.02, 0.73, 0.02) 247: bond (-182.246, -41.558, -12.366) (-182.180, -41.484, -12.356) ( 0.04, 0.18, 0.09) 247: angle (-211.321, 57.327, -98.054) (-211.301, 57.348, -98.050) ( 0.01, 0.04, 0.00) 247: torsion ( 1.783, -2.219, 2.344) ( 1.783, -2.219, 2.347) ( 0.00, 0.01, 0.11) 247: vdw ( -0.570, -0.621, -2.351) ( -0.570, -0.621, -2.351) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-21.184, -22.404, -4.521) (-21.177, -22.378, -4.516) ( 0.03, 0.11, 0.10) 247: bond ( -0.630, -11.847, 4.471) ( -0.630, -11.822, 4.474) ( 0.01, 0.21, 0.08) 247: angle (-18.792, 0.237, -2.020) (-18.786, 0.237, -2.020) ( 0.03, 0.00, 0.01) 247: torsion ( -0.802, 2.323, 6.024) ( -0.802, 2.323, 6.025) ( 0.00, 0.00, 0.01) 247: vdw ( -0.842, -12.514, -13.245) ( -0.841, -12.513, -13.245) ( 0.07, 0.00, 0.00) 247: electro ( -0.117, -0.603, 0.249) ( -0.117, -0.603, 0.249) ( 0.00, 0.00, 0.00) 247: 13 (209.974, 32.014, 22.390) (210.050, 32.098, 22.401) ( 0.04, 0.26, 0.05) 247: bond ( 81.425, 122.507, -29.385) ( 81.485, 122.580, -29.377) ( 0.07, 0.06, 0.03) 247: angle (130.006, -87.869, 44.052) (130.023, -87.857, 44.053) ( 0.01, 0.01, 0.00) 247: torsion ( -0.675, 1.611, 4.879) ( -0.675, 1.612, 4.882) ( 0.00, 0.02, 0.05) 247: vdw ( -0.783, -4.237, 2.844) ( -0.783, -4.237, 2.844) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 14 (-10.127, 14.003, -6.537) (-10.121, 14.029, -6.533) ( 0.06, 0.19, 0.06) 247: bond ( 0.208, 14.769, -4.898) ( 0.208, 14.795, -4.895) ( 0.00, 0.18, 0.06) 247: angle (-19.794, -0.500, -2.352) (-19.788, -0.500, -2.352) ( 0.03, 0.00, 0.00) 247: torsion ( 0.019, -0.049, -0.149) ( 0.019, -0.049, -0.148) ( 0.00, 0.00, 0.01) 247: vdw ( 9.632, -0.733, 1.059) ( 9.632, -0.733, 1.059) ( 0.00, 0.00, 0.00) 247: electro ( -0.192, 0.517, -0.197) ( -0.192, 0.517, -0.197) ( 0.00, 0.00, 0.00) 247: 15 (-36.479, 39.621, -17.440) (-36.462, 39.631, -17.437) ( 0.05, 0.02, 0.01) 247: bond (-39.986, 24.828, -13.708) (-39.972, 24.834, -13.706) ( 0.03, 0.02, 0.01) 247: angle ( 30.703, 43.547, -10.639) ( 30.705, 43.551, -10.639) ( 0.01, 0.01, 0.00) 247: torsion ( 0.156, -0.381, -1.147) ( 0.156, -0.381, -1.146) ( 0.00, 0.00, 0.04) 247: vdw (-27.352, -28.373, 8.054) (-27.352, -28.372, 8.054) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 ( 52.310, -52.160, 139.358) ( 52.367, -52.107, 139.378) ( 0.11, 0.10, 0.01) 247: bond ( 68.278, 40.654, 58.158) ( 68.324, 40.691, 58.170) ( 0.07, 0.09, 0.02) 247: angle (-14.590, -95.896, 93.389) (-14.578, -95.881, 93.396) ( 0.08, 0.02, 0.01) 247: torsion ( -1.966, 4.760, -13.239) ( -1.966, 4.761, -13.238) ( 0.00, 0.00, 0.01) 247: vdw ( 0.587, -1.677, 1.050) ( 0.587, -1.677, 1.050) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 17 (164.485, -1750.099, 359.852) (164.514, -1750.044, 359.905) ( 0.02, 0.00, 0.01) 247: bond ( 87.415, -1695.554, 508.596) ( 87.436, -1695.507, 508.638) ( 0.02, 0.00, 0.01) 247: angle ( 80.485, -54.139, -148.780) ( 80.492, -54.130, -148.770) ( 0.01, 0.02, 0.01) 247: torsion ( 1.700, -7.304, 2.419) ( 1.699, -7.304, 2.419) ( 0.04, 0.00, 0.00) 247: vdw ( -5.114, 6.898, -2.383) ( -5.113, 6.898, -2.383) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (-28.502, -72.471, 13.320) (-28.482, -72.459, 13.325) ( 0.07, 0.02, 0.04) 247: bond ( 14.638, -9.522, 7.122) ( 14.656, -9.515, 7.126) ( 0.12, 0.08, 0.06) 247: angle (-45.669, -63.224, 9.506) (-45.667, -63.221, 9.506) ( 0.00, 0.01, 0.00) 247: torsion ( -0.598, 0.771, 2.258) ( -0.598, 0.771, 2.258) ( 0.00, 0.01, 0.02) 247: vdw ( 4.797, 1.730, -6.454) ( 4.797, 1.731, -6.454) ( 0.01, 0.04, 0.00) 247: electro ( -1.671, -2.225, 0.889) ( -1.671, -2.225, 0.889) ( 0.00, 0.00, 0.00) 247: 19 (114.823, -41.665, -42.781) (114.872, -41.615, -42.731) ( 0.04, 0.12, 0.12) 247: bond ( 46.006, -62.726, -75.264) ( 46.042, -62.686, -75.226) ( 0.08, 0.06, 0.05) 247: angle ( 71.528, 17.445, 24.719) ( 71.541, 17.454, 24.730) ( 0.02, 0.05, 0.04) 247: torsion ( -0.887, -0.092, 4.539) ( -0.886, -0.091, 4.539) ( 0.02, 0.00, 0.01) 247: vdw ( -1.826, 3.708, 3.226) ( -1.825, 3.709, 3.226) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 ( 0.359, 94.777, 7.548) ( 0.409, 94.829, 7.594) ( 1.80, 0.06, 0.61) 247: bond (-39.306, 77.507, -9.832) (-39.267, 77.545, -9.795) ( 0.10, 0.05, 0.38) 247: angle ( 29.541, 14.158, 21.655) ( 29.551, 14.172, 21.664) ( 0.03, 0.10, 0.04) 247: torsion ( 0.559, -2.282, 2.657) ( 0.560, -2.282, 2.658) ( 0.01, 0.02, 0.02) 247: vdw ( 9.565, 5.394, -6.932) ( 9.566, 5.394, -6.932) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (-15.626, 9.796, -8.493) (-15.606, 9.807, -8.489) ( 0.13, 0.11, 0.05) 247: bond (-18.997, 12.730, -1.669) (-18.978, 12.738, -1.669) ( 0.10, 0.07, 0.00) 247: angle ( -9.429, -17.517, -26.477) ( -9.428, -17.515, -26.473) ( 0.01, 0.01, 0.01) 247: torsion ( 0.444, 0.852, 1.457) ( 0.444, 0.852, 1.457) ( 0.00, 0.00, 0.01) 247: vdw ( 12.356, 13.731, 18.195) ( 12.357, 13.731, 18.196) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 ( 16.790, -14.975, 7.995) ( 16.794, -14.970, 8.021) ( 0.02, 0.04, 0.32) 247: bond ( 0.839, -3.049, 9.710) ( 0.839, -3.047, 9.735) ( 0.01, 0.08, 0.26) 247: angle ( 17.920, -10.218, -4.742) ( 17.923, -10.215, -4.741) ( 0.02, 0.03, 0.01) 247: torsion ( 1.554, -3.125, -1.112) ( 1.554, -3.125, -1.112) ( 0.01, 0.00, 0.00) 247: vdw ( -3.522, 1.417, 4.139) ( -3.522, 1.417, 4.139) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 ( -3.383, 26.547, -7.292) ( -3.331, 26.599, -7.247) ( 1.52, 0.19, 0.62) 247: bond ( -5.729, -62.233, 5.658) ( -5.688, -62.197, 5.694) ( 0.72, 0.06, 0.64) 247: angle ( 3.696, 79.918, -15.987) ( 3.706, 79.932, -15.979) ( 0.27, 0.02, 0.05) 247: torsion ( 0.547, 3.703, 0.318) ( 0.547, 3.703, 0.319) ( 0.01, 0.01, 0.02) 247: vdw ( -1.897, 5.160, 2.720) ( -1.897, 5.160, 2.720) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 ( -8.564, -14.110, -19.019) ( -8.561, -14.092, -19.005) ( 0.04, 0.12, 0.08) 247: bond ( -0.478, -14.334, -12.772) ( -0.478, -14.319, -12.760) ( 0.00, 0.11, 0.10) 247: angle (-14.163, 1.214, -0.836) (-14.161, 1.216, -0.834) ( 0.02, 0.13, 0.17) 247: torsion ( 1.364, -0.748, 0.788) ( 1.364, -0.748, 0.788) ( 0.01, 0.01, 0.01) 247: vdw ( 4.712, -0.241, -6.199) ( 4.712, -0.241, -6.199) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 ( 15.923, 6.709, -14.172) ( 15.972, 6.759, -14.123) ( 0.30, 0.75, 0.35) 247: bond (-43.493, 18.715, 43.123) (-43.457, 18.755, 43.161) ( 0.08, 0.21, 0.09) 247: angle ( 52.144, -7.332, -54.175) ( 52.156, -7.322, -54.164) ( 0.02, 0.13, 0.02) 247: torsion ( 3.258, -0.518, -1.719) ( 3.259, -0.518, -1.718) ( 0.01, 0.01, 0.03) 247: vdw ( 4.014, -4.156, -1.402) ( 4.014, -4.156, -1.402) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 ( 8.967, 13.422, 21.262) ( 8.971, 13.430, 21.286) ( 0.05, 0.06, 0.11) 247: bond ( 2.558, -5.615, 13.404) ( 2.558, -5.611, 13.427) ( 0.03, 0.07, 0.17) 247: angle (-11.664, 4.967, 4.298) (-11.661, 4.970, 4.299) ( 0.02, 0.06, 0.02) 247: torsion ( -1.780, 1.821, 1.100) ( -1.780, 1.821, 1.100) ( 0.00, 0.01, 0.00) 247: vdw ( 19.854, 12.250, 2.460) ( 19.854, 12.250, 2.460) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (-323.145, -271.799, 112.451) (-323.099, -271.749, 112.477) ( 0.01, 0.02, 0.02) 247: bond (-277.510, -232.743, 103.218) (-277.472, -232.705, 103.231) ( 0.01, 0.02, 0.01) 247: angle (-42.969, -37.089, 8.185) (-42.962, -37.077, 8.196) ( 0.02, 0.03, 0.14) 247: torsion ( -3.196, -2.651, 1.412) ( -3.196, -2.651, 1.412) ( 0.00, 0.01, 0.03) 247: vdw ( 0.465, 0.546, -0.326) ( 0.465, 0.546, -0.326) ( 0.00, 0.00, 0.00) 247: electro ( 0.066, 0.137, -0.038) ( 0.066, 0.137, -0.038) ( 0.00, 0.00, 0.00) 247: 28 ( -9.937, -12.237, -27.175) ( -9.933, -12.229, -27.152) ( 0.04, 0.06, 0.09) 247: bond ( -2.224, 5.760, -12.961) ( -2.224, 5.765, -12.939) ( 0.03, 0.08, 0.17) 247: angle ( -1.338, -21.273, -9.248) ( -1.335, -21.270, -9.247) ( 0.21, 0.01, 0.01) 247: torsion ( 0.876, -5.005, -2.380) ( 0.876, -5.005, -2.380) ( 0.00, 0.00, 0.00) 247: vdw ( -7.251, 8.281, -2.586) ( -7.251, 8.281, -2.586) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 ( 1.693, 12.470, 31.606) ( 1.696, 12.488, 31.620) ( 0.18, 0.14, 0.04) 247: bond ( 1.386, 19.430, 16.782) ( 1.386, 19.446, 16.793) ( 0.00, 0.08, 0.07) 247: angle ( 0.745, -13.698, 15.796) ( 0.748, -13.697, 15.798) ( 0.22, 0.01, 0.01) 247: torsion ( -0.853, 1.947, -2.184) ( -0.853, 1.947, -2.184) ( 0.01, 0.00, 0.00) 247: vdw ( 0.415, 4.792, 1.212) ( 0.416, 4.792, 1.212) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 ( 21.804, -19.915, 15.948) ( 21.825, -19.906, 15.952) ( 0.10, 0.05, 0.02) 247: bond ( 21.630, -12.881, 1.409) ( 21.650, -12.874, 1.409) ( 0.09, 0.06, 0.00) 247: angle ( -4.510, -5.515, 18.908) ( -4.509, -5.513, 18.912) ( 0.02, 0.04, 0.02) 247: torsion ( 0.258, 0.167, -2.434) ( 0.258, 0.167, -2.434) ( 0.00, 0.00, 0.01) 247: vdw ( 4.426, -1.686, -1.936) ( 4.427, -1.686, -1.936) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 (-24.628, 9.539, -16.258) (-24.624, 9.545, -16.233) ( 0.02, 0.06, 0.16) 247: bond ( -1.471, 4.253, -13.478) ( -1.471, 4.256, -13.453) ( 0.02, 0.06, 0.18) 247: angle (-21.315, 8.697, 5.082) (-21.311, 8.700, 5.082) ( 0.02, 0.03, 0.01) 247: torsion ( -3.798, 2.727, 1.278) ( -3.798, 2.727, 1.278) ( 0.00, 0.00, 0.00) 247: vdw ( 1.957, -6.137, -9.140) ( 1.957, -6.137, -9.140) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 (267.216, 221.662, -108.445) (267.232, 221.677, -108.439) ( 0.01, 0.01, 0.01) 247: bond (250.100, 215.399, -125.960) (250.113, 215.408, -125.958) ( 0.01, 0.00, 0.00) 247: angle ( 2.594, 1.539, 7.794) ( 2.597, 1.544, 7.797) ( 0.10, 0.32, 0.04) 247: torsion ( 2.306, -0.267, 4.123) ( 2.306, -0.267, 4.123) ( 0.00, 0.00, 0.00) 247: vdw ( 12.243, 5.078, 5.570) ( 12.244, 5.078, 5.571) ( 0.00, 0.00, 0.00) 247: electro ( -0.028, -0.087, 0.029) ( -0.028, -0.087, 0.029) ( 0.00, 0.00, 0.00) 247: 33 ( 94.657, -75.303, 31.434) ( 94.664, -75.239, 31.434) ( 0.01, 0.09, 0.00) 247: bond ( -6.861, -41.473, 0.804) ( -6.859, -41.410, 0.804) ( 0.02, 0.15, 0.01) 247: angle ( 79.707, -13.015, 9.723) ( 79.711, -13.015, 9.723) ( 0.01, 0.00, 0.00) 247: torsion ( -2.073, 0.690, 17.856) ( -2.073, 0.690, 17.856) ( 0.00, 0.00, 0.00) 247: vdw ( 26.743, -24.254, 3.560) ( 26.743, -24.253, 3.560) ( 0.00, 0.00, 0.00) 247: electro ( -2.859, 2.749, -0.509) ( -2.859, 2.749, -0.509) ( 0.00, 0.00, 0.00) 247: 34 (-162.925, -385.483, 0.508) (-162.878, -385.447, 0.513) ( 0.03, 0.01, 0.25) 247: bond (-118.840, -234.811, 0.749) (-118.797, -234.783, 0.751) ( 0.04, 0.01, 0.17) 247: angle (-31.194, -139.586, 3.796) (-31.192, -139.579, 3.796) ( 0.01, 0.01, 0.02) 247: torsion ( 0.858, -0.272, -6.868) ( 0.858, -0.272, -6.867) ( 0.00, 0.00, 0.03) 247: vdw (-15.468, -14.017, 4.082) (-15.468, -14.017, 4.082) ( 0.00, 0.00, 0.00) 247: electro ( 1.719, 3.204, -1.249) ( 1.719, 3.204, -1.249) ( 0.00, 0.00, 0.00) 247: 35 (142.773, 236.088, -1.496) (142.802, 236.107, -1.493) ( 0.02, 0.01, 0.17) 247: bond (206.434, 163.892, 13.017) (206.460, 163.909, 13.018) ( 0.01, 0.01, 0.01) 247: angle (-39.945, 50.897, -7.365) (-39.944, 50.898, -7.365) ( 0.00, 0.00, 0.00) 247: torsion ( 0.431, -0.230, -3.930) ( 0.431, -0.230, -3.929) ( 0.00, 0.00, 0.03) 247: vdw (-27.097, 24.813, -4.027) (-27.097, 24.813, -4.027) ( 0.00, 0.00, 0.00) 247: electro ( 2.951, -3.283, 0.810) ( 2.951, -3.283, 0.810) ( 0.00, 0.00, 0.00) 247: 36 (-348.144, 45.726, -15.226) (-348.081, 45.755, -15.186) ( 0.02, 0.06, 0.26) 247: bond (-239.050, 39.747, -32.741) (-238.998, 39.769, -32.711) ( 0.02, 0.06, 0.09) 247: angle (-98.891, -1.257, 19.357) (-98.879, -1.249, 19.367) ( 0.01, 0.59, 0.05) 247: torsion (-12.409, 2.698, -2.484) (-12.409, 2.697, -2.484) ( 0.00, 0.03, 0.02) 247: vdw ( 2.205, 4.537, 0.642) ( 2.205, 4.537, 0.642) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 37 (260.970, 137.842, 191.207) (261.009, 137.882, 191.260) ( 0.02, 0.03, 0.03) 247: bond (191.217, 106.275, 118.659) (191.249, 106.307, 118.700) ( 0.02, 0.03, 0.03) 247: angle ( 64.540, 22.288, 66.066) ( 64.548, 22.296, 66.078) ( 0.01, 0.04, 0.02) 247: torsion ( 9.181, 7.136, 5.651) ( 9.180, 7.135, 5.651) ( 0.01, 0.01, 0.00) 247: vdw ( -3.968, 2.143, 0.831) ( -3.968, 2.143, 0.831) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 38 ( 16.136, 59.317, -86.231) ( 16.143, 59.328, -86.216) ( 0.04, 0.02, 0.02) 247: bond (-31.265, 54.954, -64.675) (-31.262, 54.964, -64.661) ( 0.01, 0.02, 0.02) 247: angle ( 44.812, 3.736, -18.493) ( 44.817, 3.737, -18.492) ( 0.01, 0.02, 0.01) 247: torsion ( 6.391, -0.139, -3.207) ( 6.390, -0.139, -3.208) ( 0.00, 0.00, 0.00) 247: vdw ( -3.801, 0.766, 0.144) ( -3.801, 0.766, 0.144) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 39 (-24.158, -54.978, 89.296) (-24.143, -54.974, 89.310) ( 0.06, 0.01, 0.02) 247: bond (-61.767, -23.258, 61.775) (-61.754, -23.257, 61.787) ( 0.02, 0.01, 0.02) 247: angle ( 34.251, -33.220, 21.730) ( 34.254, -33.218, 21.732) ( 0.01, 0.01, 0.01) 247: torsion ( 5.676, -2.819, 4.611) ( 5.675, -2.819, 4.611) ( 0.00, 0.01, 0.00) 247: vdw ( -2.318, 4.320, 1.179) ( -2.318, 4.320, 1.179) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 40 ( 26.973, 60.878, -82.459) ( 26.982, 60.894, -82.450) ( 0.03, 0.03, 0.01) 247: bond ( 49.149, 67.374, -37.914) ( 49.157, 67.388, -37.910) ( 0.02, 0.02, 0.01) 247: angle (-22.261, -6.635, -40.663) (-22.260, -6.635, -40.658) ( 0.01, 0.01, 0.01) 247: torsion ( -2.626, -1.535, -6.134) ( -2.626, -1.535, -6.134) ( 0.01, 0.01, 0.00) 247: vdw ( 2.712, 1.675, 2.252) ( 2.712, 1.675, 2.252) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 41 (-17.184, -55.174, 88.068) (-17.181, -55.171, 88.094) ( 0.02, 0.01, 0.03) 247: bond ( 16.566, -13.316, 86.606) ( 16.566, -13.315, 86.633) ( 0.00, 0.00, 0.03) 247: angle (-30.264, -36.708, 0.145) (-30.261, -36.704, 0.145) ( 0.01, 0.01, 0.00) 247: torsion ( -6.068, -5.375, 0.334) ( -6.068, -5.375, 0.334) ( 0.00, 0.00, 0.00) 247: vdw ( 2.582, 0.224, 0.982) ( 2.582, 0.224, 0.982) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 42 ( 11.928, 73.660, -65.040) ( 11.931, 73.665, -65.015) ( 0.03, 0.01, 0.04) 247: bond ( 19.792, 1.676, -61.552) ( 19.794, 1.675, -61.526) ( 0.01, 0.02, 0.04) 247: angle ( -6.567, 67.409, -0.277) ( -6.566, 67.413, -0.277) ( 0.01, 0.01, 0.00) 247: torsion ( -1.571, 7.699, -0.296) ( -1.572, 7.699, -0.296) ( 0.01, 0.00, 0.00) 247: vdw ( 0.274, -3.123, -2.916) ( 0.275, -3.123, -2.916) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 24 # gradients 247: ok 25 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (473.590, -2725.065, -91.006) (473.669, -2725.008, -90.997) ( 0.02, 0.00, 0.01) 247: bond (570.063, -2587.592, -73.527) (570.134, -2587.549, -73.519) ( 0.01, 0.00, 0.01) 247: angle (-97.632, -137.351, -17.200) (-97.625, -137.337, -17.201) ( 0.01, 0.01, 0.00) 247: torsion ( 0.039, 0.013, -0.294) ( 0.039, 0.013, -0.293) ( 0.00, 0.00, 0.05) 247: vdw ( 1.094, -0.150, 0.082) ( 1.094, -0.150, 0.082) ( 0.00, 0.00, 0.00) 247: electro ( 0.027, 0.016, -0.067) ( 0.027, 0.016, -0.067) ( 0.00, 0.00, 0.00) 247: 2 (456.237, -40.002, 47.232) (456.330, -39.924, 47.237) ( 0.02, 0.19, 0.01) 247: bond (484.272, -90.146, 51.927) (484.352, -90.080, 51.929) ( 0.02, 0.07, 0.00) 247: angle (-27.516, 51.039, -0.309) (-27.503, 51.050, -0.309) ( 0.05, 0.02, 0.01) 247: torsion ( 0.507, 0.271, -4.293) ( 0.507, 0.271, -4.290) ( 0.00, 0.00, 0.07) 247: vdw ( -1.088, -1.174, 0.018) ( -1.088, -1.174, 0.018) ( 0.01, 0.00, 0.00) 247: electro ( 0.062, 0.008, -0.111) ( 0.062, 0.008, -0.111) ( 0.00, 0.00, 0.00) 247: 3 (-439.682, 272.667, -20.145) (-439.604, 272.755, -20.140) ( 0.02, 0.03, 0.03) 247: bond (-434.344, 334.129, -31.017) (-434.277, 334.205, -31.016) ( 0.02, 0.02, 0.00) 247: angle ( 0.578, -64.603, -4.985) ( 0.589, -64.592, -4.984) ( 0.64, 0.02, 0.03) 247: torsion ( -1.894, -0.881, 16.709) ( -1.894, -0.881, 16.711) ( 0.00, 0.00, 0.01) 247: vdw ( -4.022, 4.022, -0.852) ( -4.022, 4.022, -0.852) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-2540.305, -769.727, -316.047) (-2540.258, -769.642, -316.037) ( 0.00, 0.01, 0.00) 247: bond (-2564.733, -676.690, -321.730) (-2564.698, -676.613, -321.723) ( 0.00, 0.01, 0.00) 247: angle ( 27.297, -91.996, 12.159) ( 27.308, -91.988, 12.161) ( 0.04, 0.01, 0.01) 247: torsion ( -0.005, -0.273, -6.256) ( -0.005, -0.273, -6.254) ( 0.00, 0.00, 0.02) 247: vdw ( -2.864, -0.768, -0.221) ( -2.864, -0.768, -0.220) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (152.615, 23.670, -20.267) (152.663, 23.722, -20.222) ( 0.03, 0.22, 0.22) 247: bond (210.345, -55.349, -26.984) (210.383, -55.310, -26.947) ( 0.02, 0.07, 0.14) 247: angle (-50.047, 74.481, 16.185) (-50.037, 74.494, 16.193) ( 0.02, 0.02, 0.05) 247: torsion ( 0.131, 0.423, -7.331) ( 0.131, 0.424, -7.330) ( 0.00, 0.01, 0.01) 247: vdw ( -7.814, 4.115, -2.137) ( -7.814, 4.115, -2.137) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (1785.590, 3194.715, 371.046) (1785.622, 3194.747, 371.062) ( 0.00, 0.00, 0.00) 247: bond (1706.986, 3075.895, 357.608) (1707.015, 3075.923, 357.623) ( 0.00, 0.00, 0.00) 247: angle ( 78.219, 118.734, 12.897) ( 78.222, 118.737, 12.898) ( 0.00, 0.00, 0.01) 247: torsion ( -0.042, -0.079, 0.498) ( -0.042, -0.079, 0.498) ( 0.00, 0.00, 0.01) 247: vdw ( 0.426, 0.166, 0.043) ( 0.426, 0.166, 0.043) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 ( 79.851, 46.237, 75.880) ( 79.900, 46.286, 75.900) ( 0.06, 0.11, 0.03) 247: bond ( 96.990, 49.734, 133.186) ( 97.033, 49.778, 133.199) ( 0.04, 0.09, 0.01) 247: angle (-23.803, 0.498, -50.811) (-23.797, 0.504, -50.804) ( 0.03, 0.28, 0.01) 247: torsion ( 3.659, -4.370, -7.003) ( 3.659, -4.370, -7.002) ( 0.00, 0.00, 0.01) 247: vdw ( 3.005, 0.375, 0.507) ( 3.005, 0.375, 0.507) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 ( 1.028, 17.661, -26.397) ( 1.031, 17.684, -26.388) ( 0.33, 0.13, 0.03) 247: bond ( 0.649, 28.028, -13.838) ( 0.649, 28.050, -13.832) ( 0.01, 0.08, 0.04) 247: angle ( 18.498, -10.591, -20.611) ( 18.501, -10.590, -20.608) ( 0.02, 0.01, 0.01) 247: torsion ( 0.531, 0.253, 0.537) ( 0.531, 0.253, 0.537) ( 0.00, 0.00, 0.00) 247: vdw (-18.650, -0.029, 7.514) (-18.650, -0.029, 7.514) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 ( -3.258, -11.551, 14.666) ( -3.254, -11.547, 14.693) ( 0.11, 0.04, 0.18) 247: bond ( 1.501, 1.340, 9.477) ( 1.502, 1.341, 9.504) ( 0.04, 0.04, 0.28) 247: angle ( 10.124, -22.656, 1.596) ( 10.127, -22.652, 1.596) ( 0.03, 0.02, 0.01) 247: torsion ( -0.444, -0.586, 0.153) ( -0.444, -0.586, 0.153) ( 0.00, 0.00, 0.00) 247: vdw (-14.439, 10.351, 3.440) (-14.439, 10.351, 3.440) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 ( 8.999, 23.828, -9.746) ( 9.046, 23.880, -9.699) ( 0.52, 0.22, 0.48) 247: bond (-48.888, 105.451, -60.397) (-48.852, 105.493, -60.360) ( 0.07, 0.04, 0.06) 247: angle ( 51.506, -71.132, 52.476) ( 51.518, -71.122, 52.486) ( 0.02, 0.01, 0.02) 247: torsion ( 2.888, -2.402, -0.834) ( 2.888, -2.402, -0.834) ( 0.01, 0.01, 0.03) 247: vdw ( 3.492, -8.089, -0.991) ( 3.493, -8.089, -0.991) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (168.618, -73.192, -8.367) (168.664, -73.142, -8.323) ( 0.03, 0.07, 0.52) 247: bond (174.455, -73.803, 12.300) (174.491, -73.766, 12.336) ( 0.02, 0.05, 0.29) 247: angle ( -5.169, 2.391, -28.800) ( -5.158, 2.404, -28.792) ( 0.20, 0.57, 0.03) 247: torsion ( -1.039, -0.893, 8.375) ( -1.039, -0.893, 8.376) ( 0.01, 0.02, 0.00) 247: vdw ( 0.371, -0.887, -0.242) ( 0.371, -0.887, -0.242) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 ( 29.009, -1.837, -22.246) ( 29.025, -1.824, -22.240) ( 0.06, 0.69, 0.03) 247: bond ( 19.172, -16.718, -8.157) ( 19.186, -16.707, -8.155) ( 0.07, 0.06, 0.03) 247: angle ( 12.531, 27.144, -26.134) ( 12.533, 27.146, -26.130) ( 0.01, 0.01, 0.01) 247: torsion ( -0.871, -4.448, 7.065) ( -0.871, -4.448, 7.065) ( 0.00, 0.00, 0.00) 247: vdw ( -1.823, -7.815, 4.980) ( -1.822, -7.815, 4.980) ( 0.02, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (-18.591, 20.067, 11.603) (-18.588, 20.071, 11.630) ( 0.02, 0.02, 0.24) 247: bond ( 0.549, 0.488, 6.488) ( 0.549, 0.488, 6.515) ( 0.01, 0.01, 0.42) 247: angle (-20.628, 20.227, 0.222) (-20.625, 20.230, 0.222) ( 0.02, 0.02, 0.00) 247: torsion ( -3.898, 9.473, -0.381) ( -3.898, 9.473, -0.381) ( 0.00, 0.00, 0.00) 247: vdw ( 5.386, -10.121, 5.274) ( 5.386, -10.120, 5.274) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 14 ( -4.732, 12.031, -27.864) ( -4.729, 12.039, -27.840) ( 0.06, 0.06, 0.08) 247: bond ( 1.186, -7.219, -16.041) ( 1.186, -7.214, -16.018) ( 0.00, 0.06, 0.14) 247: angle ( 3.461, 11.430, -4.894) ( 3.464, 11.433, -4.893) ( 0.08, 0.03, 0.01) 247: torsion ( -3.441, 8.521, -4.093) ( -3.441, 8.521, -4.093) ( 0.00, 0.00, 0.00) 247: vdw ( -5.938, -0.701, -2.837) ( -5.938, -0.701, -2.837) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 (-13.698, -11.039, 21.550) (-13.694, -11.022, 21.564) ( 0.03, 0.15, 0.06) 247: bond ( -4.106, -16.342, 14.622) ( -4.105, -16.327, 14.634) ( 0.02, 0.09, 0.08) 247: angle ( -9.290, 14.645, 13.733) ( -9.287, 14.646, 13.736) ( 0.03, 0.01, 0.02) 247: torsion ( 4.719, -6.094, -5.475) ( 4.719, -6.094, -5.475) ( 0.00, 0.00, 0.00) 247: vdw ( -5.020, -3.247, -1.330) ( -5.020, -3.247, -1.330) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 ( 1.863, 81.697, 5.197) ( 1.890, 81.704, 5.198) ( 1.45, 0.01, 0.01) 247: bond (-16.753, 4.379, -1.879) (-16.726, 4.381, -1.879) ( 0.16, 0.04, 0.01) 247: angle ( 19.859, 78.705, 6.738) ( 19.860, 78.711, 6.738) ( 0.00, 0.01, 0.00) 247: torsion ( -0.066, -0.028, 0.522) ( -0.066, -0.028, 0.523) ( 0.00, 0.00, 0.02) 247: vdw ( -0.387, -0.730, -0.098) ( -0.387, -0.730, -0.098) ( 0.00, 0.00, 0.00) 247: electro ( -0.790, -0.630, -0.086) ( -0.790, -0.630, -0.086) ( 0.00, 0.00, 0.00) 247: 17 ( 16.835, 7.907, 3.018) ( 16.841, 7.936, 3.018) ( 0.03, 0.36, 0.02) 247: bond ( -0.453, 5.351, 0.238) ( -0.453, 5.379, 0.238) ( 0.01, 0.54, 0.00) 247: angle ( 16.859, 1.351, 1.571) ( 16.865, 1.351, 1.571) ( 0.03, 0.00, 0.01) 247: torsion ( -0.089, -0.042, 0.787) ( -0.089, -0.042, 0.788) ( 0.00, 0.00, 0.06) 247: vdw ( -0.202, 0.587, 0.186) ( -0.202, 0.587, 0.186) ( 0.00, 0.00, 0.00) 247: electro ( 0.721, 0.661, 0.236) ( 0.721, 0.661, 0.236) ( 0.00, 0.00, 0.00) 247: 18 (-99.292, 244.321, -59.455) (-99.240, 244.368, -59.409) ( 0.05, 0.02, 0.08) 247: bond (-148.417, 167.758, -176.834) (-148.375, 167.796, -176.797) ( 0.03, 0.02, 0.02) 247: angle ( 42.680, 72.995, 119.661) ( 42.689, 73.003, 119.671) ( 0.02, 0.01, 0.01) 247: torsion ( 1.407, 0.167, 0.022) ( 1.407, 0.167, 0.022) ( 0.02, 0.01, 0.00) 247: vdw ( 5.038, 3.401, -2.304) ( 5.038, 3.402, -2.304) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 ( 96.583, -100.565, -112.965) ( 96.632, -100.532, -112.872) ( 0.05, 0.03, 0.08) 247: bond ( 89.102, -72.229, -82.360) ( 89.141, -72.204, -82.278) ( 0.04, 0.03, 0.10) 247: angle ( 6.652, -35.001, -29.477) ( 6.660, -34.996, -29.466) ( 0.12, 0.02, 0.04) 247: torsion ( -3.870, -4.736, -0.148) ( -3.869, -4.735, -0.147) ( 0.03, 0.03, 0.00) 247: vdw ( 4.700, 11.402, -0.981) ( 4.700, 11.402, -0.981) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (-96.914, -186.470, -88.497) (-96.882, -186.398, -88.448) ( 0.03, 0.04, 0.06) 247: bond (-78.790, -177.103, -33.032) (-78.764, -177.044, -32.992) ( 0.03, 0.03, 0.12) 247: angle (-37.779, -5.578, -57.772) (-37.775, -5.566, -57.764) ( 0.01, 0.22, 0.01) 247: torsion ( 3.007, -1.147, -2.059) ( 3.009, -1.147, -2.058) ( 0.05, 0.02, 0.03) 247: vdw ( 16.394, -2.558, 3.543) ( 16.395, -2.558, 3.543) ( 0.00, 0.01, 0.00) 247: electro ( 0.254, -0.083, 0.823) ( 0.254, -0.083, 0.823) ( 0.00, 0.00, 0.00) 247: 21 ( 18.115, -22.004, 18.288) ( 18.119, -22.001, 18.316) ( 0.02, 0.02, 0.15) 247: bond ( 2.140, 2.802, 20.123) ( 2.140, 2.803, 20.150) ( 0.01, 0.02, 0.13) 247: angle ( 15.176, -39.573, 3.891) ( 15.179, -39.570, 3.891) ( 0.02, 0.01, 0.00) 247: torsion ( 0.307, -0.893, 0.092) ( 0.307, -0.893, 0.092) ( 0.00, 0.01, 0.00) 247: vdw ( 0.491, 15.659, -5.817) ( 0.492, 15.659, -5.817) ( 0.04, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (-42.548, 36.110, 101.283) (-42.494, 36.142, 101.373) ( 0.13, 0.09, 0.09) 247: bond (-23.994, 20.120, 152.420) (-23.949, 20.145, 152.498) ( 0.19, 0.13, 0.05) 247: angle (-15.950, 11.852, -46.633) (-15.942, 11.857, -46.621) ( 0.05, 0.04, 0.03) 247: torsion ( 1.770, 2.186, -0.008) ( 1.771, 2.188, -0.008) ( 0.06, 0.09, 0.00) 247: vdw ( -4.798, 2.484, -4.355) ( -4.798, 2.484, -4.355) ( 0.00, 0.00, 0.00) 247: electro ( 0.424, -0.532, -0.141) ( 0.424, -0.532, -0.141) ( 0.00, 0.00, 0.00) 247: 23 (-43.446, 32.619, -30.428) (-43.381, 32.658, -30.357) ( 0.15, 0.12, 0.24) 247: bond (-51.035, 39.009, -46.081) (-50.979, 39.040, -46.022) ( 0.11, 0.08, 0.13) 247: angle ( 8.095, -5.547, 21.069) ( 8.103, -5.543, 21.081) ( 0.10, 0.08, 0.06) 247: torsion ( -0.540, -0.735, 0.027) ( -0.538, -0.733, 0.027) ( 0.06, 0.15, 0.00) 247: vdw ( -0.067, -0.023, -5.994) ( -0.067, -0.023, -5.994) ( 0.00, 0.00, 0.00) 247: electro ( 0.101, -0.083, 0.550) ( 0.101, -0.083, 0.550) ( 0.00, 0.00, 0.00) 247: 24 ( 43.655, -32.377, -0.397) ( 43.704, -32.347, -0.301) ( 0.11, 0.09, 3.82) 247: bond ( 53.195, -40.302, 1.077) ( 53.234, -40.280, 1.160) ( 0.07, 0.06, 7.75) 247: angle (-12.815, 9.925, 0.448) (-12.807, 9.930, 0.461) ( 0.06, 0.05, 0.56) 247: torsion ( 0.338, 0.422, 0.009) ( 0.339, 0.424, 0.009) ( 0.04, 0.09, 0.00) 247: vdw ( 3.486, -2.810, -1.722) ( 3.486, -2.810, -1.722) ( 0.00, 0.00, 0.00) 247: electro ( -0.549, 0.389, -0.208) ( -0.549, 0.389, -0.208) ( 0.00, 0.00, 0.00) 247: 25 (-32.886, 25.469, 21.497) (-32.834, 25.503, 21.587) ( 0.16, 0.13, 0.42) 247: bond (-40.084, 29.921, 66.737) (-40.040, 29.947, 66.813) ( 0.11, 0.09, 0.12) 247: angle ( 3.923, -1.226, -49.132) ( 3.931, -1.221, -49.119) ( 0.20, 0.39, 0.03) 247: torsion ( -0.183, -0.218, 0.004) ( -0.181, -0.216, 0.004) ( 0.02, 0.04, 0.00) 247: vdw ( 3.666, -3.125, 4.567) ( 3.666, -3.124, 4.567) ( 0.00, 0.00, 0.00) 247: electro ( -0.209, 0.118, -0.679) ( -0.209, 0.118, -0.679) ( 0.00, 0.00, 0.00) 247: 26 ( 19.751, -10.864, -138.067) ( 19.814, -10.825, -138.002) ( 0.32, 0.36, 0.05) 247: bond (-33.426, 30.737, -202.437) (-33.371, 30.770, -202.385) ( 0.16, 0.11, 0.03) 247: angle ( 51.930, -40.568, 58.813) ( 51.936, -40.564, 58.827) ( 0.01, 0.01, 0.02) 247: torsion ( -0.221, -0.407, -0.147) ( -0.220, -0.405, -0.147) ( 0.02, 0.06, 0.00) 247: vdw ( 1.469, -0.626, 5.704) ( 1.469, -0.626, 5.704) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 ( 9.878, -7.268, 34.221) ( 9.891, -7.260, 34.237) ( 0.13, 0.10, 0.04) 247: bond ( 18.852, -13.640, 19.276) ( 18.863, -13.634, 19.287) ( 0.06, 0.04, 0.06) 247: angle (-12.238, 9.361, 18.582) (-12.237, 9.362, 18.585) ( 0.01, 0.01, 0.02) 247: torsion ( 2.363, 3.195, -0.052) ( 2.363, 3.196, -0.052) ( 0.01, 0.02, 0.00) 247: vdw ( 1.457, -6.242, -3.795) ( 1.457, -6.241, -3.795) ( 0.01, 0.00, 0.00) 247: electro ( -0.556, 0.058, 0.211) ( -0.556, 0.058, 0.211) ( 0.00, 0.00, 0.00) 247: 28 (-17.475, 14.834, -2.649) (-17.462, 14.842, -2.635) ( 0.07, 0.06, 0.54) 247: bond (-13.747, 11.035, -13.443) (-13.735, 11.043, -13.432) ( 0.08, 0.07, 0.08) 247: angle ( -5.564, 4.176, 9.118) ( -5.562, 4.176, 9.121) ( 0.02, 0.02, 0.04) 247: torsion ( 0.531, 0.676, 0.013) ( 0.531, 0.676, 0.013) ( 0.02, 0.03, 0.00) 247: vdw ( 1.658, -1.338, 0.526) ( 1.658, -1.338, 0.526) ( 0.00, 0.00, 0.01) 247: electro ( -0.354, 0.285, 1.137) ( -0.354, 0.285, 1.137) ( 0.00, 0.00, 0.00) 247: 29 (-40.695, 27.606, 93.442) (-40.693, 27.608, 93.464) ( 0.01, 0.01, 0.02) 247: bond ( -7.021, 2.002, 89.351) ( -7.022, 2.002, 89.373) ( 0.00, 0.01, 0.02) 247: angle (-45.674, 35.582, -4.385) (-45.672, 35.584, -4.385) ( 0.00, 0.00, 0.00) 247: torsion ( 1.551, 2.029, 0.076) ( 1.551, 2.029, 0.076) ( 0.01, 0.01, 0.00) 247: vdw ( 10.450, -12.007, 8.400) ( 10.450, -12.007, 8.400) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 ( -0.829, -1.200, 15.993) ( -0.825, -1.197, 16.022) ( 0.36, 0.23, 0.18) 247: bond ( -2.181, 1.471, 19.357) ( -2.181, 1.472, 19.386) ( 0.02, 0.02, 0.15) 247: angle ( 1.519, -1.155, 0.259) ( 1.522, -1.153, 0.259) ( 0.23, 0.17, 0.00) 247: torsion ( -0.839, -1.115, -0.010) ( -0.839, -1.115, -0.010) ( 0.02, 0.04, 0.00) 247: vdw ( 0.546, -0.339, -2.337) ( 0.546, -0.339, -2.337) ( 0.00, 0.00, 0.00) 247: electro ( 0.126, -0.061, -1.275) ( 0.126, -0.061, -1.275) ( 0.00, 0.00, 0.00) 247: 31 (-11.407, 8.124, 5.758) (-11.390, 8.134, 5.767) ( 0.15, 0.12, 0.16) 247: bond (-13.844, 10.469, 7.022) (-13.828, 10.478, 7.026) ( 0.11, 0.09, 0.06) 247: angle ( 0.011, -0.028, 0.060) ( 0.012, -0.028, 0.065) ( 0.00, 0.00, 0.03) 247: torsion ( -0.265, -0.344, -0.009) ( -0.264, -0.343, -0.009) ( 0.01, 0.02, 0.00) 247: vdw ( 1.683, -1.247, -1.020) ( 1.683, -1.247, -1.020) ( 0.00, 0.00, 0.01) 247: electro ( 1.008, -0.726, -0.295) ( 1.008, -0.726, -0.295) ( 0.00, 0.00, 0.00) 247: 32 (-52.345, -67.440, -40.041) (-52.327, -67.403, -40.025) ( 0.03, 0.06, 0.04) 247: bond (-50.873, -72.955, -43.899) (-50.855, -72.919, -43.886) ( 0.03, 0.05, 0.03) 247: angle ( -1.963, 5.893, -7.524) ( -1.963, 5.895, -7.521) ( 0.00, 0.03, 0.04) 247: torsion ( -4.234, 1.481, 2.446) ( -4.234, 1.481, 2.446) ( 0.01, 0.00, 0.00) 247: vdw ( 4.991, -2.441, 9.032) ( 4.992, -2.441, 9.032) ( 0.00, 0.00, 0.00) 247: electro ( -0.266, 0.581, -0.096) ( -0.266, 0.581, -0.096) ( 0.00, 0.00, 0.00) 247: 33 ( 60.735, -72.826, 144.796) ( 60.747, -72.793, 144.826) ( 0.02, 0.05, 0.02) 247: bond (101.827, -37.869, 196.831) (101.834, -37.846, 196.857) ( 0.01, 0.06, 0.01) 247: angle (-36.650, -45.180, -53.604) (-36.647, -45.170, -53.601) ( 0.01, 0.02, 0.00) 247: torsion ( -7.700, 2.459, 5.024) ( -7.698, 2.459, 5.024) ( 0.02, 0.01, 0.01) 247: vdw ( 3.258, 7.764, -3.454) ( 3.258, 7.764, -3.454) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 34 ( 10.585, 0.388, 17.616) ( 10.635, 0.436, 17.664) ( 0.47, 1.87, 0.28) 247: bond ( -0.500, -12.373, 9.898) ( -0.463, -12.338, 9.934) ( 1.85, 0.29, 0.36) 247: angle ( 9.648, 15.499, 18.299) ( 9.659, 15.512, 18.311) ( 0.12, 0.08, 0.07) 247: torsion ( 4.643, -2.560, -5.629) ( 4.644, -2.560, -5.628) ( 0.02, 0.00, 0.01) 247: vdw ( -3.206, -0.178, -4.952) ( -3.206, -0.178, -4.952) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 35 (-15.954, -1.580, -30.115) (-15.945, -1.577, -30.093) ( 0.06, 0.20, 0.07) 247: bond (-16.793, -0.896, -30.319) (-16.787, -0.897, -30.298) ( 0.04, 0.01, 0.07) 247: angle ( 1.413, -0.380, -0.775) ( 1.417, -0.376, -0.774) ( 0.22, 0.12, 0.08) 247: torsion ( -0.703, 0.187, 0.384) ( -0.703, 0.187, 0.384) ( 0.01, 0.00, 0.00) 247: vdw ( 0.129, -0.491, 0.595) ( 0.129, -0.491, 0.595) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 36 ( 3.892, 26.603, 30.203) ( 3.901, 26.617, 30.215) ( 0.24, 0.05, 0.04) 247: bond (-14.715, 20.399, 18.854) (-14.709, 20.410, 18.864) ( 0.04, 0.06, 0.05) 247: angle ( 19.840, 2.318, 12.960) ( 19.843, 2.320, 12.962) ( 0.02, 0.08, 0.02) 247: torsion ( 1.928, 0.401, 1.070) ( 1.929, 0.401, 1.070) ( 0.01, 0.00, 0.01) 247: vdw ( -3.162, 3.486, -2.682) ( -3.162, 3.486, -2.682) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 37 ( 35.452, 17.308, 10.249) ( 35.477, 17.313, 10.254) ( 0.07, 0.03, 0.05) 247: bond ( 32.455, 9.782, -5.786) ( 32.479, 9.784, -5.785) ( 0.08, 0.02, 0.01) 247: angle ( 2.700, 4.121, 22.134) ( 2.701, 4.125, 22.137) ( 0.01, 0.08, 0.02) 247: torsion ( 0.010, 0.083, 0.194) ( 0.010, 0.083, 0.194) ( 0.00, 0.00, 0.00) 247: vdw ( 0.287, 3.322, -6.292) ( 0.287, 3.322, -6.292) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 26 # gradients 247: ok 27 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (230.770, 15.548, 47.534) (230.842, 15.637, 47.545) ( 0.03, 0.58, 0.02) 247: bond (121.169, 86.026, 47.443) (121.228, 86.103, 47.449) ( 0.05, 0.09, 0.01) 247: angle (114.073, -75.278, 10.957) (114.085, -75.265, 10.959) ( 0.01, 0.02, 0.02) 247: torsion ( 2.315, 2.076, -10.103) ( 2.315, 2.076, -10.100) ( 0.00, 0.01, 0.02) 247: vdw ( -6.787, 2.723, -0.763) ( -6.787, 2.723, -0.763) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 ( 31.074, -55.193, 28.644) ( 31.177, -55.120, 28.657) ( 0.33, 0.13, 0.05) 247: bond (105.357, -149.034, -5.246) (105.440, -148.979, -5.239) ( 0.08, 0.04, 0.14) 247: angle (-80.367, 107.149, -3.347) (-80.347, 107.165, -3.343) ( 0.02, 0.02, 0.11) 247: torsion ( 9.368, -1.776, 23.908) ( 9.368, -1.776, 23.910) ( 0.00, 0.00, 0.01) 247: vdw ( -3.283, -11.531, 13.329) ( -3.283, -11.531, 13.329) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (-236.753, -106.456, -95.205) (-236.677, -106.370, -95.193) ( 0.03, 0.08, 0.01) 247: bond (-177.229, -86.227, -64.766) (-177.165, -86.154, -64.759) ( 0.04, 0.08, 0.01) 247: angle (-70.025, -29.241, -13.562) (-70.013, -29.228, -13.560) ( 0.02, 0.04, 0.02) 247: torsion ( 4.874, 3.954, -19.458) ( 4.874, 3.954, -19.456) ( 0.00, 0.00, 0.01) 247: vdw ( 5.628, 5.057, 2.581) ( 5.628, 5.057, 2.581) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-126.999, -160.981, -84.433) (-126.935, -160.889, -84.419) ( 0.05, 0.06, 0.02) 247: bond (-234.447, 24.970, -55.738) (-234.396, 25.050, -55.729) ( 0.02, 0.32, 0.02) 247: angle ( 99.611, -183.568, -21.468) ( 99.624, -183.556, -21.465) ( 0.01, 0.01, 0.01) 247: torsion ( 1.884, 1.751, -6.942) ( 1.884, 1.751, -6.941) ( 0.01, 0.01, 0.03) 247: vdw ( 5.953, -4.134, -0.285) ( 5.953, -4.134, -0.285) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (-22.500, 327.225, 82.973) (-22.421, 327.266, 82.984) ( 0.35, 0.01, 0.01) 247: bond ( 38.244, 121.228, 41.806) ( 38.319, 121.256, 41.813) ( 0.20, 0.02, 0.02) 247: angle (-54.031, 208.040, 36.291) (-54.027, 208.053, 36.292) ( 0.01, 0.01, 0.00) 247: torsion ( -1.949, -1.946, 7.573) ( -1.949, -1.946, 7.574) ( 0.00, 0.01, 0.02) 247: vdw ( -4.764, -0.097, -2.696) ( -4.764, -0.097, -2.696) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 ( 32.880, -339.346, -69.860) ( 32.955, -339.260, -69.851) ( 0.23, 0.03, 0.01) 247: bond ( 86.762, -175.637, -21.392) ( 86.824, -175.563, -21.387) ( 0.07, 0.04, 0.02) 247: angle (-51.939, -157.049, -49.092) (-51.926, -157.038, -49.090) ( 0.03, 0.01, 0.00) 247: torsion ( -0.579, -0.614, 2.947) ( -0.579, -0.614, 2.949) ( 0.01, 0.01, 0.08) 247: vdw ( -0.865, -6.374, -2.432) ( -0.865, -6.374, -2.432) ( 0.02, 0.00, 0.00) 247: electro ( -0.499, 0.329, 0.109) ( -0.499, 0.329, 0.109) ( 0.00, 0.00, 0.00) 247: 7 (133.858, 88.163, -4.538) (133.901, 88.209, -4.499) ( 0.03, 0.05, 0.86) 247: bond (120.107, -51.316, -45.582) (120.140, -51.282, -45.553) ( 0.03, 0.07, 0.06) 247: angle ( 14.796, 145.842, 41.461) ( 14.806, 145.853, 41.471) ( 0.07, 0.01, 0.02) 247: torsion ( -0.612, -0.558, 2.434) ( -0.612, -0.558, 2.435) ( 0.00, 0.00, 0.01) 247: vdw ( -0.433, -5.805, -2.852) ( -0.433, -5.804, -2.852) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 ( -8.961, 88.814, 12.903) ( -8.949, 88.851, 12.924) ( 0.13, 0.04, 0.16) 247: bond (-20.203, 101.675, 18.600) (-20.201, 101.710, 18.616) ( 0.01, 0.04, 0.09) 247: angle ( 38.037, -13.083, 7.156) ( 38.047, -13.081, 7.160) ( 0.03, 0.01, 0.06) 247: torsion (-21.767, -2.156, -9.606) (-21.768, -2.156, -9.606) ( 0.00, 0.00, 0.00) 247: vdw ( -5.028, 2.378, -3.247) ( -5.027, 2.378, -3.247) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 ( -1.781, 27.438, 6.210) ( -1.735, 27.485, 6.259) ( 2.59, 0.17, 0.79) 247: bond ( -2.842, -29.193, 13.720) ( -2.805, -29.158, 13.757) ( 1.28, 0.12, 0.27) 247: angle ( -6.775, 56.706, -9.037) ( -6.765, 56.718, -9.025) ( 0.15, 0.02, 0.13) 247: torsion ( 8.642, -0.633, 2.133) ( 8.642, -0.634, 2.133) ( 0.01, 0.02, 0.01) 247: vdw ( -0.806, 0.558, -0.606) ( -0.806, 0.558, -0.606) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (121.026, 97.357, 77.519) (121.076, 97.405, 77.566) ( 0.04, 0.05, 0.06) 247: bond ( 55.916, 58.881, 22.131) ( 55.952, 58.916, 22.168) ( 0.06, 0.06, 0.17) 247: angle ( 65.497, 37.697, 49.927) ( 65.510, 37.710, 49.937) ( 0.02, 0.04, 0.02) 247: torsion ( -1.399, -1.243, 5.820) ( -1.399, -1.243, 5.820) ( 0.00, 0.00, 0.01) 247: vdw ( 1.013, 2.022, -0.358) ( 1.013, 2.022, -0.358) ( 0.01, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (-178.441, 56.536, -12.123) (-178.391, 56.584, -12.076) ( 0.03, 0.09, 0.39) 247: bond (-113.413, 39.694, -12.800) (-113.376, 39.729, -12.764) ( 0.03, 0.09, 0.28) 247: angle (-63.583, 15.799, 0.304) (-63.571, 15.813, 0.315) ( 0.02, 0.08, 0.31) 247: torsion ( -0.164, -0.169, 0.725) ( -0.164, -0.169, 0.726) ( 0.00, 0.00, 0.03) 247: vdw ( -1.281, 1.211, -0.352) ( -1.281, 1.211, -0.352) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-309.585, 168.570, -61.479) (-309.474, 168.656, -61.471) ( 0.04, 0.05, 0.01) 247: bond (-261.125, 204.404, -58.888) (-261.025, 204.475, -58.884) ( 0.04, 0.03, 0.01) 247: angle (-44.453, -44.369, -0.417) (-44.442, -44.354, -0.417) ( 0.03, 0.03, 0.01) 247: torsion ( 0.061, -0.086, -0.605) ( 0.061, -0.086, -0.601) ( 0.00, 0.00, 0.25) 247: vdw ( -4.068, 8.620, -1.569) ( -4.068, 8.620, -1.569) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 ( 43.845, -102.204, 20.477) ( 43.934, -102.124, 20.483) ( 0.20, 0.08, 0.03) 247: bond (117.722, -98.093, 27.700) (117.798, -98.025, 27.703) ( 0.06, 0.07, 0.01) 247: angle (-74.835, -7.801, -6.628) (-74.822, -7.789, -6.628) ( 0.02, 0.15, 0.00) 247: torsion ( 0.024, -0.039, -0.234) ( 0.024, -0.039, -0.230) ( 0.00, 0.00, 0.08) 247: vdw ( 2.133, 2.565, -0.133) ( 2.133, 2.565, -0.133) ( 0.00, 0.00, 0.00) 247: electro ( -1.199, 1.164, -0.229) ( -1.199, 1.164, -0.229) ( 0.00, 0.00, 0.00) 247: 14 (-36.109, -48.858, 3.417) (-36.039, -48.759, 3.424) ( 0.20, 0.20, 0.21) 247: bond (-115.278, -76.367, -0.800) (-115.221, -76.279, -0.797) ( 0.05, 0.11, 0.30) 247: angle ( 71.512, 27.575, 3.506) ( 71.525, 27.586, 3.506) ( 0.02, 0.04, 0.01) 247: torsion ( 0.015, -0.022, -0.148) ( 0.015, -0.022, -0.145) ( 0.00, 0.00, 0.05) 247: vdw ( 8.156, -0.533, 0.952) ( 8.157, -0.533, 0.952) ( 0.00, 0.00, 0.00) 247: electro ( -0.515, 0.489, -0.092) ( -0.515, 0.489, -0.092) ( 0.00, 0.00, 0.00) 247: 15 ( 33.113, 48.660, -4.041) ( 33.209, 48.734, -4.035) ( 0.29, 0.15, 0.17) 247: bond ( 31.105, 131.273, -16.544) ( 31.189, 131.334, -16.541) ( 0.27, 0.05, 0.02) 247: angle ( -1.857, -74.929, 11.143) ( -1.845, -74.917, 11.143) ( 0.64, 0.02, 0.00) 247: torsion ( 0.027, -0.039, -0.263) ( 0.027, -0.039, -0.260) ( 0.00, 0.00, 0.08) 247: vdw ( 3.027, -7.745, 1.526) ( 3.027, -7.745, 1.526) ( 0.00, 0.00, 0.00) 247: electro ( 0.811, 0.101, 0.097) ( 0.811, 0.101, 0.097) ( 0.00, 0.00, 0.00) 247: 16 (121.317, -1.933, 14.143) (121.404, -1.852, 14.149) ( 0.07, 4.20, 0.04) 247: bond (133.239, -68.848, 24.454) (133.314, -68.779, 24.457) ( 0.06, 0.10, 0.01) 247: angle (-10.468, 68.924, -10.394) (-10.456, 68.937, -10.394) ( 0.12, 0.02, 0.00) 247: torsion ( 0.005, -0.025, -0.143) ( 0.005, -0.024, -0.140) ( 0.00, 0.00, 0.05) 247: vdw ( -2.434, -2.403, 0.153) ( -2.434, -2.403, 0.153) ( 0.00, 0.00, 0.00) 247: electro ( 0.975, 0.417, 0.073) ( 0.975, 0.417, 0.073) ( 0.00, 0.00, 0.00) 247: 17 (-325.590, 298.031, -75.555) (-325.500, 298.136, -75.547) ( 0.03, 0.04, 0.01) 247: bond (-371.855, 211.563, -66.837) (-371.779, 211.658, -66.833) ( 0.02, 0.04, 0.01) 247: angle ( 55.346, 85.009, -7.558) ( 55.360, 85.020, -7.558) ( 0.03, 0.01, 0.00) 247: torsion ( 0.036, -0.026, -0.174) ( 0.037, -0.026, -0.170) ( 0.00, 0.00, 0.06) 247: vdw ( -9.118, 1.484, -0.986) ( -9.118, 1.484, -0.986) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (164.570, -216.301, 59.167) (164.657, -216.222, 59.174) ( 0.05, 0.04, 0.01) 247: bond (138.178, -139.130, 38.931) (138.251, -139.065, 38.934) ( 0.05, 0.05, 0.01) 247: angle ( 25.727, -77.475, 12.790) ( 25.740, -77.460, 12.791) ( 0.05, 0.02, 0.00) 247: torsion ( -0.695, 0.990, 6.900) ( -0.695, 0.990, 6.903) ( 0.00, 0.01, 0.04) 247: vdw ( 2.153, -5.046, 0.612) ( 2.153, -5.046, 0.612) ( 0.00, 0.00, 0.00) 247: electro ( -0.792, 4.359, -0.065) ( -0.792, 4.359, -0.065) ( 0.00, 0.00, 0.00) 247: 19 (-965.766, 2663.086, -575.860) (-965.690, 2663.170, -575.850) ( 0.01, 0.00, 0.00) 247: bond (-1418.917, 2382.703, -443.048) (-1418.856, 2382.777, -443.040) ( 0.00, 0.00, 0.00) 247: angle (447.095, 281.029, -129.732) (447.109, 281.038, -129.733) ( 0.00, 0.00, 0.00) 247: torsion ( 0.024, 0.039, 0.308) ( 0.024, 0.039, 0.309) ( 0.00, 0.00, 0.05) 247: vdw ( 6.033, -0.685, -3.387) ( 6.033, -0.685, -3.387) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (114.232, -437.606, 83.440) (114.289, -437.539, 83.444) ( 0.05, 0.02, 0.00) 247: bond (358.499, -354.381, 86.813) (358.545, -354.320, 86.816) ( 0.01, 0.02, 0.00) 247: angle (-245.243, -83.323, -1.702) (-245.232, -83.318, -1.702) ( 0.00, 0.01, 0.01) 247: torsion ( 0.110, -0.237, -1.547) ( 0.110, -0.237, -1.546) ( 0.00, 0.00, 0.07) 247: vdw ( 0.866, 0.335, -0.124) ( 0.866, 0.335, -0.124) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (1412.002, -2219.798, 590.177) (1412.038, -2219.762, 590.203) ( 0.00, 0.00, 0.00) 247: bond (1625.070, -1930.637, 478.096) (1625.097, -1930.605, 478.116) ( 0.00, 0.00, 0.00) 247: angle (-197.172, -290.361, 113.648) (-197.163, -290.357, 113.653) ( 0.00, 0.00, 0.00) 247: torsion ( 0.078, -0.157, -1.123) ( 0.078, -0.157, -1.123) ( 0.00, 0.00, 0.02) 247: vdw (-21.130, 1.015, -0.657) (-21.129, 1.015, -0.657) ( 0.00, 0.00, 0.00) 247: electro ( 5.156, 0.342, 0.213) ( 5.156, 0.342, 0.213) ( 0.00, 0.00, 0.00) 247: 22 (-366.659, -78.515, -15.951) (-366.643, -78.496, -15.948) ( 0.00, 0.02, 0.02) 247: bond (-171.955, -219.996, -39.220) (-171.945, -219.980, -39.219) ( 0.01, 0.01, 0.00) 247: angle (-23.182, 13.743, 24.534) (-23.181, 13.744, 24.536) ( 0.01, 0.01, 0.01) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw (-160.520, 122.573, -1.512) (-160.516, 122.575, -1.512) ( 0.00, 0.00, 0.03) 247: electro (-11.002, 5.165, 0.246) (-11.002, 5.165, 0.246) ( 0.00, 0.00, 0.00) 247: 23 (-22.584, 54.833, 6.425) (-22.566, 54.848, 6.428) ( 0.08, 0.03, 0.05) 247: bond ( 15.086, 13.833, 6.673) ( 15.101, 13.845, 6.676) ( 0.09, 0.09, 0.04) 247: angle (-45.622, 49.256, 1.036) (-45.620, 49.258, 1.036) ( 0.01, 0.01, 0.01) 247: torsion ( 0.047, 0.044, -0.198) ( 0.047, 0.044, -0.198) ( 0.00, 0.00, 0.01) 247: vdw ( 7.493, -8.141, -1.046) ( 7.493, -8.141, -1.046) ( 0.00, 0.00, 0.00) 247: electro ( 0.412, -0.158, -0.040) ( 0.412, -0.158, -0.040) ( 0.00, 0.00, 0.00) 247: 24 (-16.608, -19.937, -12.909) (-16.604, -19.911, -12.905) ( 0.02, 0.13, 0.03) 247: bond ( -3.330, -18.505, 2.198) ( -3.329, -18.479, 2.198) ( 0.02, 0.14, 0.01) 247: angle (-13.113, -0.092, -20.627) (-13.110, -0.092, -20.624) ( 0.02, 0.00, 0.02) 247: torsion ( 0.001, -0.003, -0.022) ( 0.001, -0.003, -0.022) ( 0.00, 0.00, 0.00) 247: vdw ( -0.167, -1.338, 5.543) ( -0.167, -1.338, 5.543) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 ( 11.683, 5.989, 18.013) ( 11.692, 5.996, 18.033) ( 0.07, 0.12, 0.11) 247: bond ( 19.057, 11.460, 31.582) ( 19.064, 11.462, 31.601) ( 0.03, 0.02, 0.06) 247: angle (-13.425, 45.799, -8.517) (-13.423, 45.803, -8.516) ( 0.02, 0.01, 0.01) 247: torsion ( -0.014, -0.022, 0.017) ( -0.014, -0.022, 0.017) ( 0.00, 0.00, 0.00) 247: vdw ( 6.066, -51.248, -5.069) ( 6.066, -51.246, -5.069) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 ( 0.724, -29.231, -9.886) ( 0.729, -29.220, -9.867) ( 0.37, 0.04, 0.20) 247: bond ( 4.372, -9.327, -14.621) ( 4.374, -9.320, -14.603) ( 0.04, 0.08, 0.13) 247: angle ( -0.345, -31.995, 20.315) ( -0.342, -31.992, 20.316) ( 0.13, 0.01, 0.00) 247: torsion ( -6.009, 0.002, -1.801) ( -6.009, 0.002, -1.801) ( 0.00, 0.00, 0.00) 247: vdw ( 2.706, 12.090, -13.779) ( 2.706, 12.090, -13.778) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (-25.773, 20.839, -2.648) (-25.754, 20.850, -2.643) ( 0.07, 0.06, 0.18) 247: bond (-26.324, 19.256, -7.192) (-26.307, 19.266, -7.191) ( 0.07, 0.05, 0.02) 247: angle ( -1.773, -2.324, 0.259) ( -1.772, -2.322, 0.263) ( 0.07, 0.11, 0.09) 247: torsion ( 2.286, 4.628, 4.034) ( 2.286, 4.628, 4.034) ( 0.00, 0.00, 0.00) 247: vdw ( 0.038, -0.721, 0.252) ( 0.038, -0.721, 0.252) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 ( 31.717, 10.764, 4.950) ( 31.735, 10.776, 4.955) ( 0.06, 0.11, 0.10) 247: bond ( 24.691, 19.128, 8.139) ( 24.707, 19.138, 8.140) ( 0.07, 0.05, 0.02) 247: angle ( 4.802, -5.862, -0.807) ( 4.803, -5.860, -0.803) ( 0.04, 0.04, 0.26) 247: torsion ( 3.079, -3.340, -1.493) ( 3.079, -3.340, -1.494) ( 0.00, 0.00, 0.00) 247: vdw ( -0.855, 0.838, -0.889) ( -0.855, 0.838, -0.889) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 ( 17.273, -9.621, 3.628) ( 17.287, -9.611, 3.639) ( 0.08, 0.11, 0.30) 247: bond ( 27.772, -19.828, 22.921) ( 27.785, -19.821, 22.930) ( 0.05, 0.03, 0.04) 247: angle ( -7.655, -43.113, -27.996) ( -7.653, -43.111, -27.993) ( 0.03, 0.01, 0.01) 247: torsion ( -0.003, 0.001, 0.005) ( -0.003, 0.001, 0.005) ( 0.00, 0.00, 0.00) 247: vdw ( -2.841, 53.319, 8.698) ( -2.841, 53.320, 8.698) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 ( 8.872, 4.980, -31.183) ( 8.880, 4.987, -31.164) ( 0.10, 0.15, 0.06) 247: bond ( 14.300, 12.483, -24.570) ( 14.306, 12.488, -24.553) ( 0.04, 0.04, 0.07) 247: angle ( -5.491, -6.853, -6.683) ( -5.488, -6.850, -6.681) ( 0.05, 0.05, 0.02) 247: torsion ( -0.006, 0.007, 0.000) ( -0.006, 0.007, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 0.068, -0.657, 0.070) ( 0.068, -0.657, 0.070) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 (-38.803, 21.558, -3.759) (-38.796, 21.575, -3.747) ( 0.02, 0.08, 0.31) 247: bond ( -9.767, 20.602, 16.092) ( -9.764, 20.617, 16.101) ( 0.03, 0.07, 0.06) 247: angle (-39.187, 1.263, -25.384) (-39.183, 1.265, -25.382) ( 0.01, 0.14, 0.01) 247: torsion ( 0.002, -0.008, 0.011) ( 0.002, -0.008, 0.011) ( 0.00, 0.00, 0.00) 247: vdw ( 10.149, -0.299, 5.522) ( 10.150, -0.299, 5.522) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 ( -1.413, -33.007, -7.791) ( -1.399, -32.990, -7.786) ( 0.98, 0.05, 0.06) 247: bond (-17.356, -19.718, -3.615) (-17.344, -19.703, -3.614) ( 0.07, 0.08, 0.01) 247: angle ( 25.951, -21.946, -4.917) ( 25.953, -21.945, -4.913) ( 0.01, 0.01, 0.08) 247: torsion ( 0.013, 0.004, -0.083) ( 0.013, 0.004, -0.083) ( 0.00, 0.00, 0.00) 247: vdw (-10.021, 8.654, 0.824) (-10.021, 8.654, 0.824) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 ( 14.342, 25.091, 24.049) ( 14.347, 25.101, 24.069) ( 0.04, 0.04, 0.08) 247: bond ( -8.159, 14.049, 22.197) ( -8.157, 14.056, 22.215) ( 0.03, 0.05, 0.08) 247: angle ( 25.372, 11.763, 1.871) ( 25.375, 11.766, 1.872) ( 0.01, 0.03, 0.07) 247: torsion ( -0.032, -0.072, 0.034) ( -0.032, -0.072, 0.034) ( 0.00, 0.00, 0.00) 247: vdw ( -2.839, -0.649, -0.052) ( -2.839, -0.649, -0.052) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 34 ( 14.982, 24.879, -21.566) ( 14.985, 24.891, -21.547) ( 0.02, 0.05, 0.09) 247: bond ( -1.186, 18.722, -25.133) ( -1.186, 18.732, -25.115) ( 0.01, 0.05, 0.07) 247: angle ( 16.567, 6.266, 3.891) ( 16.570, 6.268, 3.893) ( 0.02, 0.04, 0.04) 247: torsion ( 0.018, 0.066, 0.048) ( 0.018, 0.066, 0.048) ( 0.00, 0.00, 0.00) 247: vdw ( -0.417, -0.174, -0.372) ( -0.417, -0.174, -0.372) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 35 ( 4.828, 0.430, 0.212) ( 4.842, 0.451, 0.213) ( 0.29, 0.89, 0.02) 247: bond ( 1.611, 2.181, -0.163) ( 1.621, 2.200, -0.162) ( 0.63, 0.86, 0.00) 247: angle ( 3.124, -2.253, 0.734) ( 3.127, -2.251, 0.734) ( 0.12, 0.08, 0.00) 247: torsion ( 0.021, -0.030, -0.197) ( 0.021, -0.030, -0.196) ( 0.00, 0.00, 0.02) 247: vdw ( -0.881, 1.566, -0.324) ( -0.881, 1.566, -0.324) ( 0.00, 0.00, 0.00) 247: electro ( 0.953, -1.035, 0.162) ( 0.953, -1.035, 0.162) ( 0.00, 0.00, 0.00) 247: 36 (-38.521, 8.137, -5.650) (-38.493, 8.143, -5.648) ( 0.07, 0.08, 0.03) 247: bond (-41.790, 5.311, -5.340) (-41.762, 5.312, -5.339) ( 0.07, 0.01, 0.01) 247: angle ( 0.354, 2.444, -0.335) ( 0.354, 2.449, -0.335) ( 0.00, 0.22, 0.00) 247: torsion ( 0.022, -0.032, -0.207) ( 0.022, -0.032, -0.206) ( 0.00, 0.00, 0.01) 247: vdw ( 2.141, 0.498, 0.160) ( 2.141, 0.498, 0.160) ( 0.00, 0.01, 0.00) 247: electro ( 0.751, -0.084, 0.071) ( 0.751, -0.084, 0.071) ( 0.00, 0.00, 0.00) 247: 37 (-21.113, 33.562, -7.402) (-21.104, 33.587, -7.401) ( 0.05, 0.07, 0.03) 247: bond (-17.334, 38.426, -7.733) (-17.329, 38.450, -7.732) ( 0.03, 0.06, 0.01) 247: angle ( -3.889, -1.784, -0.159) ( -3.885, -1.783, -0.159) ( 0.12, 0.05, 0.00) 247: torsion ( -0.003, 0.004, 0.027) ( -0.003, 0.004, 0.028) ( 0.00, 0.00, 0.00) 247: vdw ( 0.176, -2.175, 0.348) ( 0.176, -2.175, 0.348) ( 0.00, 0.00, 0.00) 247: electro ( -0.062, -0.910, 0.114) ( -0.062, -0.910, 0.114) ( 0.00, 0.00, 0.00) 247: 38 ( -5.431, -0.451, 0.024) ( -5.417, -0.431, 0.025) ( 0.26, 0.91, 0.00) 247: bond ( -1.879, -2.467, 0.180) ( -1.868, -2.448, 0.180) ( 0.57, 0.74, 0.00) 247: angle ( -0.324, 0.244, 0.014) ( -0.321, 0.246, 0.014) ( 0.11, 0.05, 0.00) 247: torsion ( -0.045, 0.066, 0.437) ( -0.045, 0.066, 0.437) ( 0.00, 0.00, 0.03) 247: vdw ( -1.909, 0.542, -0.273) ( -1.909, 0.542, -0.273) ( 0.00, 0.00, 0.00) 247: electro ( -1.274, 1.163, -0.334) ( -1.274, 1.163, -0.334) ( 0.00, 0.00, 0.00) 247: 39 (204.595, -232.813, 17.423) (204.607, -232.783, 17.424) ( 0.01, 0.01, 0.00) 247: bond (-25.243, -90.642, 9.182) (-25.240, -90.615, 9.182) ( 0.01, 0.03, 0.01) 247: angle ( 46.593, -12.125, 8.430) ( 46.598, -12.125, 8.430) ( 0.01, 0.00, 0.00) 247: torsion ( 0.323, -0.400, -3.056) ( 0.323, -0.400, -3.055) ( 0.00, 0.00, 0.02) 247: vdw (176.635, -118.304, 3.193) (176.640, -118.302, 3.193) ( 0.00, 0.00, 0.02) 247: electro ( 6.286, -11.341, -0.326) ( 6.286, -11.341, -0.326) ( 0.00, 0.00, 0.00) 247: ok 28 # gradients 247: ok 29 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-483.685, -788.434, -25.900) (-483.635, -788.379, -25.858) ( 0.01, 0.01, 0.16) 247: bond (-123.483, -133.688, 12.161) (-123.445, -133.645, 12.191) ( 0.03, 0.03, 0.25) 247: angle (-359.908, -649.896, -38.074) (-359.897, -649.884, -38.062) ( 0.00, 0.00, 0.03) 247: torsion ( 2.101, -1.457, 2.833) ( 2.101, -1.457, 2.833) ( 0.02, 0.02, 0.02) 247: vdw ( -2.395, -3.392, -2.820) ( -2.395, -3.392, -2.820) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (-150.289, 75.914, 142.318) (-150.239, 75.954, 142.365) ( 0.03, 0.05, 0.03) 247: bond ( 9.834, 50.544, -146.894) ( 9.875, 50.571, -146.855) ( 0.41, 0.05, 0.03) 247: angle (-153.746, 27.483, 293.328) (-153.736, 27.495, 293.336) ( 0.01, 0.04, 0.00) 247: torsion ( -6.223, -2.600, -3.652) ( -6.222, -2.599, -3.651) ( 0.01, 0.03, 0.02) 247: vdw ( -0.155, 0.487, -0.464) ( -0.155, 0.487, -0.464) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (118.446, 171.114, -465.743) (118.500, 171.156, -465.699) ( 0.04, 0.02, 0.01) 247: bond (-19.118, 50.713, -154.500) (-19.073, 50.747, -154.471) ( 0.24, 0.07, 0.02) 247: angle (137.091, 91.897, -324.372) (137.099, 91.904, -324.357) ( 0.01, 0.01, 0.00) 247: torsion ( -0.601, 28.940, 16.482) ( -0.601, 28.940, 16.483) ( 0.00, 0.00, 0.00) 247: vdw ( 1.074, -0.436, -3.354) ( 1.074, -0.436, -3.354) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-86.609, 439.014, 711.149) (-86.565, 439.062, 711.205) ( 0.05, 0.01, 0.01) 247: bond (-32.932, 73.361, 171.694) (-32.901, 73.397, 171.737) ( 0.09, 0.05, 0.03) 247: angle (-54.988, 361.477, 537.547) (-54.976, 361.488, 537.560) ( 0.02, 0.00, 0.00) 247: torsion ( 0.844, 1.591, -0.716) ( 0.845, 1.592, -0.716) ( 0.04, 0.03, 0.01) 247: vdw ( 0.467, 2.585, 2.624) ( 0.467, 2.585, 2.624) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 ( -7.567, -638.470, 59.542) ( -7.494, -638.410, 59.578) ( 0.97, 0.01, 0.06) 247: bond (236.905, -169.810, 6.565) (236.972, -169.758, 6.592) ( 0.03, 0.03, 0.41) 247: angle (-212.896, -410.032, 140.931) (-212.889, -410.024, 140.940) ( 0.00, 0.00, 0.01) 247: torsion (-26.430, -66.832, -87.390) (-26.430, -66.832, -87.390) ( 0.00, 0.00, 0.00) 247: vdw ( -5.147, 8.205, -0.565) ( -5.147, 8.205, -0.565) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (228.653, 260.133, 44.807) (228.739, 260.195, 44.834) ( 0.04, 0.02, 0.06) 247: bond (-54.553, -97.251, 136.985) (-54.476, -97.200, 137.006) ( 0.14, 0.05, 0.02) 247: angle (241.657, 321.716, -125.937) (241.665, 321.726, -125.930) ( 0.00, 0.00, 0.00) 247: torsion ( 33.723, 32.553, 36.486) ( 33.724, 32.554, 36.486) ( 0.00, 0.00, 0.00) 247: vdw ( 8.350, 3.286, -3.257) ( 8.350, 3.286, -3.257) ( 0.00, 0.00, 0.00) 247: electro ( -0.524, -0.171, 0.530) ( -0.524, -0.171, 0.530) ( 0.00, 0.00, 0.00) 247: 7 (-587.438, -143.305, 11.645) (-587.363, -143.225, 11.664) ( 0.01, 0.06, 0.17) 247: bond (-298.842, -73.718, 17.820) (-298.773, -73.651, 17.834) ( 0.02, 0.09, 0.08) 247: angle (-258.526, -67.862, -17.538) (-258.520, -67.851, -17.531) ( 0.00, 0.02, 0.04) 247: torsion (-39.427, -2.663, 13.927) (-39.427, -2.663, 13.926) ( 0.00, 0.00, 0.01) 247: vdw ( 9.955, 0.661, -2.710) ( 9.955, 0.661, -2.710) ( 0.00, 0.00, 0.00) 247: electro ( -0.598, 0.279, 0.145) ( -0.598, 0.279, 0.145) ( 0.00, 0.00, 0.00) 247: 8 ( 45.410, 31.974, 493.709) ( 45.471, 32.044, 493.748) ( 0.13, 0.22, 0.01) 247: bond (-37.015, 339.079, 109.544) (-36.964, 339.142, 109.578) ( 0.14, 0.02, 0.03) 247: angle ( 63.762, -301.464, 382.571) ( 63.773, -301.456, 382.577) ( 0.02, 0.00, 0.00) 247: torsion ( 14.673, 1.679, -0.383) ( 14.672, 1.679, -0.383) ( 0.00, 0.00, 0.02) 247: vdw ( 3.991, -7.321, 1.976) ( 3.991, -7.320, 1.976) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 9 (360.867, 242.908, -676.023) (360.927, 242.947, -675.950) ( 0.02, 0.02, 0.01) 247: bond (152.916, 8.014, -198.640) (152.966, 8.044, -198.571) ( 0.03, 0.37, 0.03) 247: angle (227.853, 245.387, -443.490) (227.864, 245.396, -443.485) ( 0.00, 0.00, 0.00) 247: torsion (-13.958, -16.520, -43.857) (-13.958, -16.521, -43.857) ( 0.00, 0.00, 0.00) 247: vdw ( -5.702, 5.042, 10.533) ( -5.702, 5.042, 10.533) ( 0.00, 0.01, 0.00) 247: electro ( -0.242, 0.986, -0.569) ( -0.242, 0.986, -0.569) ( 0.00, 0.00, 0.00) 247: 10 (-111.605, -180.030, 561.474) (-111.548, -179.947, 561.506) ( 0.05, 0.05, 0.01) 247: bond ( 67.468, 54.576, -12.563) ( 67.512, 54.651, -12.535) ( 0.07, 0.14, 0.22) 247: angle (-184.159, -249.578, 505.421) (-184.147, -249.570, 505.426) ( 0.01, 0.00, 0.00) 247: torsion ( 13.823, 16.842, 62.209) ( 13.823, 16.842, 62.209) ( 0.00, 0.00, 0.00) 247: vdw ( -9.154, -2.355, 6.685) ( -9.154, -2.355, 6.685) ( 0.00, 0.00, 0.00) 247: electro ( 0.418, 0.486, -0.279) ( 0.418, 0.486, -0.279) ( 0.00, 0.00, 0.00) 247: 11 ( 38.790, -27.584, -102.068) ( 38.833, -27.533, -102.027) ( 0.11, 0.18, 0.04) 247: bond (-120.065, -106.033, 79.009) (-120.030, -105.994, 79.042) ( 0.03, 0.04, 0.04) 247: angle (150.692, 64.751, -222.033) (150.700, 64.762, -222.025) ( 0.01, 0.02, 0.00) 247: torsion ( 7.707, 14.295, 42.537) ( 7.708, 14.295, 42.537) ( 0.00, 0.00, 0.00) 247: vdw ( 0.455, -0.597, -1.581) ( 0.455, -0.597, -1.581) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (315.995, -171.132, -664.068) (316.042, -171.087, -664.013) ( 0.01, 0.03, 0.01) 247: bond ( 87.522, -58.387, -171.625) ( 87.557, -58.353, -171.583) ( 0.04, 0.06, 0.02) 247: angle (229.808, -113.542, -492.188) (229.819, -113.531, -492.175) ( 0.00, 0.01, 0.00) 247: torsion ( -0.960, 0.838, -0.805) ( -0.960, 0.839, -0.805) ( 0.04, 0.04, 0.01) 247: vdw ( -0.375, -0.042, 0.550) ( -0.375, -0.042, 0.550) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 (222.439, -937.863, 264.573) (222.468, -937.828, 264.632) ( 0.01, 0.00, 0.02) 247: bond (-46.368, -89.865, 59.959) (-46.335, -89.841, 60.025) ( 0.07, 0.03, 0.11) 247: angle (258.667, -818.948, 227.732) (258.669, -818.936, 227.731) ( 0.00, 0.00, 0.00) 247: torsion ( 9.754, -28.354, -26.126) ( 9.749, -28.354, -26.131) ( 0.06, 0.00, 0.02) 247: vdw ( 0.300, 0.067, 3.587) ( 0.300, 0.067, 3.587) ( 0.00, 0.00, 0.00) 247: electro ( 0.085, -0.764, -0.579) ( 0.085, -0.764, -0.579) ( 0.00, 0.00, 0.00) 247: 14 (-757.574, 461.942, 328.683) (-757.618, 461.994, 328.644) ( 0.01, 0.01, 0.01) 247: bond ( 0.586, -45.719, 2.500) ( 0.597, -45.671, 2.514) ( 0.66, 0.11, 0.57) 247: angle (-779.027, 502.723, 295.552) (-779.044, 502.728, 295.532) ( 0.00, 0.00, 0.01) 247: torsion ( 18.184, 6.220, 25.946) ( 18.147, 6.220, 25.912) ( 0.20, 0.00, 0.13) 247: vdw ( 2.459, -1.220, 3.406) ( 2.459, -1.220, 3.406) ( 0.00, 0.00, 0.00) 247: electro ( 0.223, -0.062, 1.279) ( 0.223, -0.062, 1.279) ( 0.00, 0.00, 0.00) 247: 15 ( 96.111, 521.505, -194.221) ( 96.129, 521.512, -194.178) ( 0.02, 0.00, 0.02) 247: bond ( 1.977, 0.804, 3.060) ( 1.996, 0.807, 3.104) ( 0.92, 0.24, 1.44) 247: angle (106.071, 506.715, -199.983) (106.072, 506.720, -199.984) ( 0.00, 0.00, 0.00) 247: torsion (-10.804, 13.214, 3.508) (-10.804, 13.214, 3.508) ( 0.00, 0.00, 0.00) 247: vdw ( 0.309, 2.550, -1.323) ( 0.309, 2.550, -1.323) ( 0.00, 0.00, 0.00) 247: electro ( -1.443, -1.778, 0.516) ( -1.443, -1.778, 0.516) ( 0.00, 0.00, 0.00) 247: 16 (109.581, 246.406, -35.465) (109.607, 246.412, -35.461) ( 0.02, 0.00, 0.01) 247: bond ( 69.487, -11.705, -1.559) ( 69.514, -11.704, -1.559) ( 0.04, 0.01, 0.02) 247: angle ( 43.423, 262.571, -35.069) ( 43.423, 262.575, -35.066) ( 0.00, 0.00, 0.01) 247: torsion ( 0.063, 0.120, 1.925) ( 0.063, 0.120, 1.925) ( 0.00, 0.00, 0.01) 247: vdw ( -3.393, -4.580, -0.761) ( -3.393, -4.579, -0.761) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 17 (174.960, 176.025, -89.335) (174.964, 176.039, -89.318) ( 0.00, 0.01, 0.02) 247: bond ( 0.067, 39.118, 41.485) ( 0.067, 39.131, 41.500) ( 0.00, 0.03, 0.04) 247: angle (176.327, 138.802, -131.168) (176.330, 138.803, -131.165) ( 0.00, 0.00, 0.00) 247: torsion ( -0.772, 0.580, -0.545) ( -0.772, 0.580, -0.545) ( 0.01, 0.00, 0.00) 247: vdw ( -0.661, -2.475, 0.894) ( -0.661, -2.474, 0.894) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (251.139, 191.328, 100.736) (251.143, 191.342, 100.754) ( 0.00, 0.01, 0.02) 247: bond ( 2.181, 42.689, -46.478) ( 2.182, 42.701, -46.463) ( 0.01, 0.03, 0.03) 247: angle (253.610, 151.426, 151.075) (253.614, 151.427, 151.078) ( 0.00, 0.00, 0.00) 247: torsion ( 1.057, -0.932, -0.807) ( 1.057, -0.932, -0.807) ( 0.01, 0.01, 0.00) 247: vdw ( -5.709, -1.855, -3.054) ( -5.709, -1.855, -3.054) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 ( 33.317, 57.884, 90.759) ( 33.324, 57.892, 90.779) ( 0.02, 0.01, 0.02) 247: bond ( 24.015, -31.052, 60.780) ( 24.018, -31.047, 60.800) ( 0.01, 0.02, 0.03) 247: angle ( 17.910, 79.100, 33.317) ( 17.912, 79.103, 33.317) ( 0.01, 0.00, 0.00) 247: torsion ( 2.826, -0.063, -1.148) ( 2.826, -0.063, -1.148) ( 0.01, 0.00, 0.01) 247: vdw (-11.433, 9.899, -2.189) (-11.432, 9.899, -2.189) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (112.100, 65.862, 54.803) (112.104, 65.873, 54.824) ( 0.00, 0.02, 0.04) 247: bond ( 1.245, 49.479, 76.160) ( 1.245, 49.487, 76.180) ( 0.03, 0.02, 0.03) 247: angle (100.726, 19.307, -14.190) (100.729, 19.309, -14.189) ( 0.00, 0.01, 0.01) 247: torsion ( 1.154, 1.529, -1.012) ( 1.154, 1.529, -1.012) ( 0.00, 0.01, 0.00) 247: vdw ( 8.974, -4.452, -6.155) ( 8.975, -4.452, -6.155) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (-71.223, -54.362, -54.764) (-71.217, -54.338, -54.760) ( 0.01, 0.04, 0.01) 247: bond (-26.461, -65.057, 11.205) (-26.457, -65.034, 11.206) ( 0.02, 0.04, 0.01) 247: angle (-46.537, 7.124, -68.522) (-46.535, 7.124, -68.519) ( 0.01, 0.01, 0.00) 247: torsion ( -0.326, 0.906, 4.487) ( -0.326, 0.906, 4.487) ( 0.00, 0.00, 0.00) 247: vdw ( 2.100, 2.666, -1.934) ( 2.101, 2.666, -1.934) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (-68.853, -136.453, -261.776) (-68.828, -136.448, -261.770) ( 0.04, 0.00, 0.00) 247: bond ( 54.419, -15.692, -19.606) ( 54.442, -15.690, -19.603) ( 0.04, 0.01, 0.02) 247: angle (-123.941, -124.844, -244.293) (-123.939, -124.841, -244.290) ( 0.00, 0.00, 0.00) 247: torsion ( 0.075, 0.834, -0.459) ( 0.075, 0.834, -0.459) ( 0.00, 0.01, 0.00) 247: vdw ( 0.594, 3.249, 2.581) ( 0.594, 3.249, 2.582) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 ( 75.683, -117.846, -173.470) ( 75.689, -117.836, -173.450) ( 0.01, 0.01, 0.01) 247: bond (-20.746, 33.175, -62.178) (-20.744, 33.181, -62.158) ( 0.01, 0.02, 0.03) 247: angle ( 97.257, -154.243, -114.792) ( 97.260, -154.239, -114.792) ( 0.00, 0.00, 0.00) 247: torsion ( -0.481, -0.245, 0.030) ( -0.481, -0.245, 0.030) ( 0.01, 0.00, 0.00) 247: vdw ( -0.346, 3.467, 3.470) ( -0.346, 3.467, 3.470) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (105.149, -66.430, -206.326) (105.157, -66.407, -206.322) ( 0.01, 0.03, 0.00) 247: bond (-19.670, -43.647, -7.176) (-19.665, -43.624, -7.175) ( 0.02, 0.05, 0.01) 247: angle (126.570, -23.893, -201.648) (126.573, -23.893, -201.644) ( 0.00, 0.00, 0.00) 247: torsion ( 0.145, -0.078, 0.078) ( 0.145, -0.078, 0.078) ( 0.00, 0.00, 0.00) 247: vdw ( -1.896, 1.189, 2.419) ( -1.896, 1.189, 2.419) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 (-44.220, 12.148, -7.731) (-44.210, 12.167, -7.724) ( 0.02, 0.16, 0.08) 247: bond ( -3.943, -6.899, 3.822) ( -3.937, -6.881, 3.827) ( 0.15, 0.26, 0.14) 247: angle (-38.340, 11.268, -19.179) (-38.337, 11.269, -19.179) ( 0.01, 0.01, 0.00) 247: torsion ( -2.978, 6.930, 9.397) ( -2.978, 6.930, 9.397) ( 0.00, 0.00, 0.00) 247: vdw ( 1.663, 0.445, -1.262) ( 1.663, 0.445, -1.262) ( 0.01, 0.00, 0.00) 247: electro ( -0.622, 0.404, -0.508) ( -0.622, 0.404, -0.508) ( 0.00, 0.00, 0.00) 247: 26 ( 18.457, -48.202, 0.427) ( 18.480, -48.196, 0.433) ( 0.12, 0.01, 0.25) 247: bond ( 3.862, 0.983, 1.869) ( 3.884, 0.985, 1.875) ( 0.58, 0.14, 0.28) 247: angle ( -7.815, -37.552, 35.916) ( -7.815, -37.548, 35.917) ( 0.00, 0.01, 0.00) 247: torsion ( 20.997, -8.192, -39.206) ( 20.997, -8.192, -39.206) ( 0.00, 0.00, 0.00) 247: vdw ( 0.854, -2.630, 1.421) ( 0.854, -2.630, 1.421) ( 0.00, 0.00, 0.00) 247: electro ( 0.559, -0.810, 0.426) ( 0.559, -0.810, 0.426) ( 0.00, 0.00, 0.00) 247: 27 (-29.738, 40.590, 5.549) (-29.733, 40.591, 5.577) ( 0.02, 0.00, 0.50) 247: bond ( -1.957, 0.297, -8.240) ( -1.955, 0.297, -8.213) ( 0.08, 0.00, 0.33) 247: angle (-21.621, 52.996, 7.064) (-21.618, 52.998, 7.064) ( 0.01, 0.00, 0.00) 247: torsion (-11.269, -11.104, 2.280) (-11.269, -11.104, 2.281) ( 0.00, 0.00, 0.00) 247: vdw ( 3.798, -0.733, 3.981) ( 3.798, -0.733, 3.981) ( 0.00, 0.00, 0.00) 247: electro ( 1.311, -0.867, 0.464) ( 1.311, -0.867, 0.464) ( 0.00, 0.00, 0.00) 247: 28 (-136.891, 245.087, -127.495) (-136.870, 245.092, -127.486) ( 0.02, 0.00, 0.01) 247: bond ( -4.603, -0.834, 3.102) ( -4.584, -0.834, 3.111) ( 0.42, 0.05, 0.29) 247: angle (-130.627, 233.442, -129.868) (-130.626, 233.446, -129.868) ( 0.00, 0.00, 0.00) 247: torsion ( -3.357, 13.709, -1.271) ( -3.357, 13.709, -1.271) ( 0.00, 0.00, 0.01) 247: vdw ( 2.285, -1.520, 1.199) ( 2.285, -1.520, 1.199) ( 0.01, 0.01, 0.01) 247: electro ( -0.589, 0.290, -0.657) ( -0.589, 0.290, -0.657) ( 0.00, 0.00, 0.00) 247: 29 ( 62.680, 48.907, 79.728) ( 62.701, 48.917, 79.731) ( 0.03, 0.02, 0.00) 247: bond ( 82.859, 48.522, 11.969) ( 82.880, 48.529, 11.970) ( 0.02, 0.02, 0.01) 247: angle (-15.838, 8.500, 75.187) (-15.837, 8.502, 75.190) ( 0.01, 0.03, 0.00) 247: torsion ( 1.056, -1.007, -3.232) ( 1.056, -1.007, -3.232) ( 0.00, 0.01, 0.00) 247: vdw ( -5.397, -7.108, -4.197) ( -5.397, -7.108, -4.197) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 (-75.889, 12.904, 204.837) (-75.885, 12.931, 204.841) ( 0.01, 0.21, 0.00) 247: bond ( -7.796, 60.835, 11.399) ( -7.795, 60.862, 11.401) ( 0.01, 0.04, 0.01) 247: angle (-73.100, -46.077, 195.991) (-73.097, -46.076, 195.995) ( 0.00, 0.00, 0.00) 247: torsion ( 2.398, 0.066, 1.288) ( 2.398, 0.066, 1.288) ( 0.01, 0.00, 0.00) 247: vdw ( 2.608, -1.920, -3.842) ( 2.609, -1.920, -3.842) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 (-117.716, 90.678, 152.303) (-117.707, 90.684, 152.325) ( 0.01, 0.01, 0.01) 247: bond ( 27.141, -14.457, 53.610) ( 27.147, -14.455, 53.631) ( 0.02, 0.01, 0.04) 247: angle (-146.486, 105.766, 102.653) (-146.482, 105.769, 102.653) ( 0.00, 0.00, 0.00) 247: torsion ( -0.366, -0.637, 0.013) ( -0.366, -0.637, 0.013) ( 0.00, 0.01, 0.00) 247: vdw ( 1.994, 0.006, -3.973) ( 1.994, 0.006, -3.973) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 (-50.224, 82.100, 196.063) (-50.199, 82.107, 196.068) ( 0.05, 0.01, 0.00) 247: bond (-55.346, -19.687, 12.099) (-55.323, -19.684, 12.101) ( 0.04, 0.02, 0.01) 247: angle ( 4.679, 101.096, 185.844) ( 4.679, 101.100, 185.848) ( 0.01, 0.00, 0.00) 247: torsion ( -0.331, 0.679, -0.408) ( -0.331, 0.679, -0.408) ( 0.00, 0.01, 0.00) 247: vdw ( 0.775, 0.012, -1.473) ( 0.775, 0.012, -1.473) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 (408.847, -165.313, -419.480) (408.832, -165.278, -419.494) ( 0.00, 0.02, 0.00) 247: bond ( 49.599, 130.501, -58.048) ( 49.604, 130.533, -58.041) ( 0.01, 0.02, 0.01) 247: angle (371.322, -295.799, -347.892) (371.314, -295.795, -347.900) ( 0.00, 0.00, 0.00) 247: torsion (-12.248, -0.841, -12.358) (-12.260, -0.841, -12.370) ( 0.10, 0.00, 0.10) 247: vdw ( -1.245, -1.183, -0.414) ( -1.245, -1.183, -0.414) ( 0.00, 0.00, 0.00) 247: electro ( 1.420, 2.008, -0.769) ( 1.420, 2.008, -0.769) ( 0.00, 0.00, 0.00) 247: ok 30 # gradients 247: ok 31 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 ( 46.073, -53.603, 1.779) ( 46.121, -53.554, 1.827) ( 0.11, 0.09, 2.70) 247: bond ( 56.033, 2.173, 18.600) ( 56.070, 2.210, 18.636) ( 0.06, 1.67, 0.20) 247: angle ( -7.353, -49.796, -8.847) ( -7.340, -49.783, -8.836) ( 0.17, 0.03, 0.13) 247: torsion ( 0.938, 1.611, -3.622) ( 0.938, 1.611, -3.621) ( 0.00, 0.00, 0.01) 247: vdw ( -3.546, -7.591, -4.351) ( -3.546, -7.591, -4.351) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (141.043, 179.752, 117.469) (141.110, 179.826, 117.486) ( 0.05, 0.04, 0.01) 247: bond ( 77.454, 158.423, 80.136) ( 77.508, 158.488, 80.147) ( 0.07, 0.04, 0.01) 247: angle ( 65.044, 21.210, 39.213) ( 65.057, 21.218, 39.216) ( 0.02, 0.04, 0.01) 247: torsion ( 0.130, 0.532, -2.605) ( 0.131, 0.533, -2.601) ( 0.00, 0.02, 0.13) 247: vdw ( -1.646, -0.358, 0.422) ( -1.646, -0.358, 0.422) ( 0.01, 0.00, 0.00) 247: electro ( 0.060, -0.055, 0.302) ( 0.060, -0.055, 0.302) ( 0.00, 0.00, 0.00) 247: 3 ( -8.226, -36.206, -9.656) ( -8.220, -36.181, -9.652) ( 0.07, 0.07, 0.04) 247: bond (-11.345, -33.468, 2.727) (-11.342, -33.443, 2.727) ( 0.02, 0.07, 0.00) 247: angle ( 5.420, -2.848, -12.376) ( 5.423, -2.848, -12.372) ( 0.06, 0.01, 0.03) 247: torsion ( 0.012, -0.008, -0.042) ( 0.012, -0.008, -0.042) ( 0.00, 0.00, 0.00) 247: vdw ( -2.313, 0.117, 0.035) ( -2.313, 0.117, 0.035) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-33.035, 14.265, 14.129) (-33.023, 14.277, 14.141) ( 0.04, 0.08, 0.09) 247: bond (-20.220, 20.248, 21.069) (-20.211, 20.257, 21.079) ( 0.04, 0.04, 0.05) 247: angle ( 14.957, 14.055, 0.831) ( 14.959, 14.057, 0.834) ( 0.01, 0.02, 0.20) 247: torsion ( -0.004, -0.021, 0.016) ( -0.004, -0.021, 0.016) ( 0.00, 0.00, 0.00) 247: vdw (-27.768, -20.017, -7.788) (-27.767, -20.016, -7.788) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 ( -9.060, 9.846, -36.923) ( -9.057, 9.853, -36.898) ( 0.04, 0.06, 0.07) 247: bond ( -3.550, 11.947, -36.602) ( -3.550, 11.950, -36.577) ( 0.00, 0.02, 0.07) 247: angle ( -5.400, -2.196, -0.193) ( -5.397, -2.193, -0.193) ( 0.06, 0.17, 0.01) 247: torsion ( -0.006, 0.045, 0.015) ( -0.006, 0.045, 0.015) ( 0.00, 0.00, 0.00) 247: vdw ( -0.104, 0.051, -0.143) ( -0.104, 0.051, -0.143) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (-51.563, 32.405, 2.018) (-51.534, 32.444, 2.022) ( 0.06, 0.12, 0.19) 247: bond (-36.513, 43.141, 9.825) (-36.486, 43.178, 9.827) ( 0.07, 0.09, 0.02) 247: angle ( -8.815, -6.178, -5.581) ( -8.812, -6.177, -5.580) ( 0.03, 0.02, 0.01) 247: torsion ( 1.264, 1.990, -4.052) ( 1.264, 1.990, -4.051) ( 0.00, 0.01, 0.02) 247: vdw ( -7.339, -7.843, 1.278) ( -7.339, -7.842, 1.278) ( 0.01, 0.00, 0.00) 247: electro ( -0.160, 1.295, 0.548) ( -0.160, 1.295, 0.548) ( 0.00, 0.00, 0.00) 247: 7 ( 18.571, -115.444, 31.887) ( 18.626, -115.390, 31.906) ( 0.30, 0.05, 0.06) 247: bond (103.923, -105.456, 11.336) (103.966, -105.413, 11.349) ( 0.04, 0.04, 0.11) 247: angle (-80.727, 4.516, -18.236) (-80.715, 4.528, -18.234) ( 0.01, 0.25, 0.01) 247: torsion ( -7.906, -15.760, 38.484) ( -7.906, -15.760, 38.488) ( 0.00, 0.00, 0.01) 247: vdw ( 3.828, 0.979, 1.088) ( 3.829, 0.979, 1.088) ( 0.00, 0.00, 0.00) 247: electro ( -0.547, 0.276, -0.785) ( -0.547, 0.276, -0.785) ( 0.00, 0.00, 0.00) 247: 8 ( 98.492, -8.381, -8.747) ( 98.510, -8.365, -8.743) ( 0.02, 0.18, 0.04) 247: bond ( 57.396, -52.111, -14.395) ( 57.412, -52.098, -14.394) ( 0.03, 0.02, 0.01) 247: angle ( 15.918, 14.631, 10.536) ( 15.920, 14.633, 10.537) ( 0.01, 0.01, 0.01) 247: torsion ( 1.353, 5.680, -15.166) ( 1.353, 5.681, -15.165) ( 0.00, 0.00, 0.01) 247: vdw ( 23.274, 24.518, 10.059) ( 23.275, 24.518, 10.059) ( 0.00, 0.00, 0.00) 247: electro ( 0.550, -1.099, 0.220) ( 0.550, -1.099, 0.220) ( 0.00, 0.00, 0.00) 247: 9 (-196.889, -140.673, 168.386) (-196.834, -140.622, 168.422) ( 0.03, 0.04, 0.02) 247: bond (-117.027, -220.319, 72.628) (-116.983, -220.279, 72.656) ( 0.04, 0.02, 0.04) 247: angle (-63.685, 98.264, 121.297) (-63.675, 98.275, 121.304) ( 0.02, 0.01, 0.01) 247: torsion (-17.120, -19.452, -26.178) (-17.120, -19.452, -26.178) ( 0.00, 0.00, 0.00) 247: vdw ( 0.943, 0.833, 0.640) ( 0.943, 0.833, 0.640) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 10 (232.993, -84.406, 3.415) (233.034, -84.370, 3.466) ( 0.02, 0.04, 1.50) 247: bond ( 65.211, 0.399, 148.702) ( 65.240, 0.426, 148.746) ( 0.04, 1.07, 0.03) 247: angle (177.340, -80.008, -125.110) (177.352, -79.999, -125.103) ( 0.01, 0.01, 0.01) 247: torsion (-11.166, -6.616, -21.328) (-11.166, -6.616, -21.328) ( 0.00, 0.00, 0.00) 247: vdw ( 1.608, 1.819, 1.151) ( 1.608, 1.819, 1.151) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (-254.765, 436.986, -67.608) (-254.707, 437.012, -67.559) ( 0.02, 0.01, 0.07) 247: bond (-120.639, 134.169, 15.514) (-120.591, 134.184, 15.547) ( 0.04, 0.01, 0.21) 247: angle (-167.688, 157.180, -45.457) (-167.679, 157.192, -45.442) ( 0.01, 0.01, 0.03) 247: torsion ( 33.886, 145.372, -37.446) ( 33.886, 145.371, -37.446) ( 0.00, 0.00, 0.00) 247: vdw ( -0.324, 0.265, -0.218) ( -0.324, 0.265, -0.218) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-22.088, -22.217, -29.969) (-22.084, -22.208, -29.948) ( 0.02, 0.04, 0.07) 247: bond ( -6.016, -21.410, -36.088) ( -6.016, -21.403, -36.068) ( 0.01, 0.03, 0.06) 247: angle (-30.444, -0.957, 5.643) (-30.441, -0.955, 5.644) ( 0.01, 0.19, 0.01) 247: torsion ( 4.110, -6.214, 3.002) ( 4.110, -6.214, 3.002) ( 0.00, 0.00, 0.00) 247: vdw ( 10.262, 6.364, -2.526) ( 10.262, 6.364, -2.526) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 13 ( 8.293, -133.079, 62.973) ( 8.310, -133.062, 62.979) ( 0.21, 0.01, 0.01) 247: bond ( 30.933, -138.777, 61.028) ( 30.949, -138.763, 61.031) ( 0.05, 0.01, 0.01) 247: angle (-18.060, -2.085, -16.096) (-18.059, -2.083, -16.093) ( 0.01, 0.13, 0.02) 247: torsion ( -2.188, 6.410, 20.016) ( -2.188, 6.410, 20.016) ( 0.00, 0.00, 0.00) 247: vdw ( -2.392, 1.374, -1.975) ( -2.392, 1.374, -1.975) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 14 (148.340, -196.719, -384.370) (148.378, -196.698, -384.273) ( 0.03, 0.01, 0.03) 247: bond ( 78.126, 114.902, -393.965) ( 78.154, 114.917, -393.878) ( 0.04, 0.01, 0.02) 247: angle ( 98.473, -242.933, -3.874) ( 98.482, -242.926, -3.865) ( 0.01, 0.00, 0.23) 247: torsion (-17.678, -65.927, 16.403) (-17.677, -65.926, 16.404) ( 0.00, 0.00, 0.00) 247: vdw (-11.821, -1.517, -2.824) (-11.820, -1.517, -2.824) ( 0.00, 0.00, 0.00) 247: electro ( 1.239, -1.245, -0.111) ( 1.239, -1.245, -0.111) ( 0.00, 0.00, 0.00) 247: 15 ( 55.040, 12.071, 3.767) ( 55.044, 12.097, 3.772) ( 0.01, 0.21, 0.11) 247: bond ( 0.427, 11.115, 3.347) ( 0.427, 11.140, 3.349) ( 0.00, 0.23, 0.07) 247: angle ( 47.344, -0.958, -2.857) ( 47.348, -0.958, -2.855) ( 0.01, 0.02, 0.07) 247: torsion ( 3.463, -0.198, 0.216) ( 3.463, -0.198, 0.216) ( 0.00, 0.00, 0.00) 247: vdw ( 3.806, 2.112, 3.061) ( 3.806, 2.112, 3.061) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 (-38.258, 87.065, 123.842) (-38.253, 87.068, 123.903) ( 0.01, 0.00, 0.05) 247: bond (-23.671, -14.717, 113.273) (-23.669, -14.716, 113.334) ( 0.01, 0.00, 0.05) 247: angle (-29.611, 71.263, 3.070) (-29.608, 71.265, 3.070) ( 0.01, 0.00, 0.00) 247: torsion ( 19.803, 30.719, 8.124) ( 19.803, 30.720, 8.125) ( 0.00, 0.00, 0.00) 247: vdw ( -4.022, -0.700, -0.473) ( -4.022, -0.700, -0.473) ( 0.00, 0.00, 0.00) 247: electro ( -0.757, 0.500, -0.153) ( -0.757, 0.500, -0.153) ( 0.00, 0.00, 0.00) 247: 17 (-124.922, 160.182, -83.462) (-124.880, 160.221, -83.420) ( 0.03, 0.02, 0.05) 247: bond (-131.449, 83.564, -63.177) (-131.416, 83.592, -63.143) ( 0.03, 0.03, 0.05) 247: angle ( 8.025, 70.698, -17.007) ( 8.034, 70.708, -16.998) ( 0.11, 0.01, 0.05) 247: torsion ( -0.745, 6.167, -3.535) ( -0.745, 6.167, -3.535) ( 0.03, 0.01, 0.01) 247: vdw ( -0.753, -0.247, 0.257) ( -0.753, -0.247, 0.257) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (-94.970, -271.612, 65.923) (-94.923, -271.564, 65.973) ( 0.05, 0.02, 0.08) 247: bond ( -5.806, -112.325, 7.274) ( -5.770, -112.289, 7.312) ( 0.63, 0.03, 0.52) 247: angle (-83.027, -71.036, 27.950) (-83.017, -71.025, 27.962) ( 0.01, 0.02, 0.04) 247: torsion ( -3.416, -86.985, 30.001) ( -3.416, -86.985, 30.001) ( 0.01, 0.00, 0.00) 247: vdw ( -2.720, -1.265, 0.697) ( -2.720, -1.265, 0.697) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 ( 47.998, -93.172, -63.432) ( 48.047, -93.123, -63.383) ( 0.10, 0.05, 0.08) 247: bond ( 3.510, 0.952, -4.414) ( 3.546, 0.988, -4.377) ( 1.03, 3.45, 0.83) 247: angle ( 50.607, -90.344, -54.175) ( 50.619, -90.331, -54.163) ( 0.02, 0.01, 0.02) 247: torsion ( -4.961, -2.567, -0.636) ( -4.961, -2.567, -0.636) ( 0.01, 0.01, 0.02) 247: vdw ( -1.158, -1.212, -4.207) ( -1.158, -1.212, -4.207) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (104.993, 46.842, 70.465) (105.043, 46.890, 70.514) ( 0.05, 0.10, 0.07) 247: bond ( 17.708, 15.746, 11.019) ( 17.745, 15.782, 11.055) ( 0.21, 0.23, 0.33) 247: angle ( 78.058, 33.218, 62.190) ( 78.070, 33.230, 62.202) ( 0.02, 0.04, 0.02) 247: torsion ( 6.126, -5.883, -3.243) ( 6.126, -5.883, -3.243) ( 0.00, 0.01, 0.01) 247: vdw ( 3.102, 3.761, 0.500) ( 3.102, 3.761, 0.500) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (146.255, 149.536, 151.376) (146.280, 149.618, 151.417) ( 0.02, 0.05, 0.03) 247: bond ( 40.147, 106.784, 65.656) ( 40.166, 106.856, 65.689) ( 0.05, 0.07, 0.05) 247: angle ( 96.179, 38.674, 82.359) ( 96.185, 38.684, 82.366) ( 0.01, 0.03, 0.01) 247: torsion ( 15.474, 5.590, -2.941) ( 15.475, 5.590, -2.940) ( 0.01, 0.00, 0.02) 247: vdw ( -4.952, -1.638, 6.182) ( -4.952, -1.638, 6.183) ( 0.00, 0.00, 0.00) 247: electro ( -0.594, 0.125, 0.119) ( -0.594, 0.125, 0.119) ( 0.00, 0.00, 0.00) 247: 22 ( 14.363, 24.556, -5.998) ( 14.367, 24.566, -5.977) ( 0.03, 0.04, 0.35) 247: bond ( -0.141, 0.953, 1.628) ( -0.140, 0.960, 1.649) ( 0.00, 0.67, 1.27) 247: angle ( 20.638, 18.771, -9.175) ( 20.641, 18.773, -9.175) ( 0.01, 0.01, 0.01) 247: torsion ( -8.277, 7.711, -5.195) ( -8.277, 7.711, -5.195) ( 0.00, 0.00, 0.00) 247: vdw ( 2.141, -2.878, 6.744) ( 2.142, -2.878, 6.745) ( 0.04, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 (-57.516, -332.950, -98.332) (-57.497, -332.903, -98.310) ( 0.03, 0.01, 0.02) 247: bond (-19.487, -259.679, -59.892) (-19.470, -259.639, -59.873) ( 0.08, 0.02, 0.03) 247: angle (-31.577, -68.046, -46.314) (-31.575, -68.039, -46.312) ( 0.00, 0.01, 0.00) 247: torsion ( -9.292, -1.338, 8.076) ( -9.291, -1.338, 8.077) ( 0.01, 0.00, 0.01) 247: vdw ( 2.462, -4.002, -0.004) ( 2.462, -4.001, -0.004) ( 0.00, 0.00, 0.00) 247: electro ( 0.378, 0.115, -0.199) ( 0.378, 0.115, -0.199) ( 0.00, 0.00, 0.00) 247: 24 ( -1.382, -37.977, 2.868) ( -1.368, -37.964, 2.876) ( 0.97, 0.04, 0.30) 247: bond ( 15.002, -14.886, 10.387) ( 15.013, -14.875, 10.392) ( 0.07, 0.07, 0.05) 247: angle (-18.866, -26.610, -10.838) (-18.864, -26.608, -10.835) ( 0.01, 0.01, 0.03) 247: torsion ( -0.221, 0.010, 0.333) ( -0.221, 0.010, 0.333) ( 0.00, 0.00, 0.00) 247: vdw ( 2.704, 3.510, 2.986) ( 2.704, 3.510, 2.986) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 (-11.589, 7.655, -36.391) (-11.578, 7.666, -36.377) ( 0.09, 0.15, 0.04) 247: bond ( 10.819, 11.402, -12.976) ( 10.827, 11.411, -12.965) ( 0.07, 0.08, 0.09) 247: angle (-25.163, -7.263, -27.403) (-25.160, -7.260, -27.400) ( 0.01, 0.04, 0.01) 247: torsion ( 0.025, -0.031, -0.006) ( 0.025, -0.031, -0.006) ( 0.00, 0.00, 0.00) 247: vdw ( 2.729, 3.546, 3.994) ( 2.729, 3.546, 3.994) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 (-35.365, 12.544, 1.991) (-35.358, 12.557, 2.007) ( 0.02, 0.10, 0.80) 247: bond ( -7.469, 12.487, 14.722) ( -7.466, 12.497, 14.736) ( 0.05, 0.08, 0.10) 247: angle (-36.168, -7.559, -11.915) (-36.165, -7.556, -11.913) ( 0.01, 0.03, 0.02) 247: torsion ( -0.050, 0.462, -0.417) ( -0.049, 0.462, -0.417) ( 0.00, 0.00, 0.00) 247: vdw ( 8.322, 7.154, -0.399) ( 8.322, 7.154, -0.399) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 ( 4.763, -9.346, 37.404) ( 4.777, -9.332, 37.411) ( 0.31, 0.15, 0.02) 247: bond ( 14.702, -14.220, 7.906) ( 14.714, -14.208, 7.909) ( 0.08, 0.08, 0.04) 247: angle (-10.743, 9.005, 36.160) (-10.741, 9.007, 36.163) ( 0.02, 0.02, 0.01) 247: torsion ( -1.890, -1.759, 0.357) ( -1.890, -1.759, 0.357) ( 0.00, 0.00, 0.00) 247: vdw ( 2.694, -2.372, -7.018) ( 2.694, -2.372, -7.018) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 (-42.977, 6.178, 6.639) (-42.962, 6.188, 6.648) ( 0.04, 0.17, 0.14) 247: bond (-16.447, -12.459, -11.230) (-16.434, -12.451, -11.224) ( 0.08, 0.06, 0.06) 247: angle (-29.289, 19.160, 21.622) (-29.287, 19.162, 21.625) ( 0.01, 0.01, 0.01) 247: torsion ( -0.328, 1.908, -1.636) ( -0.328, 1.908, -1.636) ( 0.00, 0.00, 0.00) 247: vdw ( 3.087, -2.431, -2.117) ( 3.087, -2.431, -2.117) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 ( -7.405, 39.134, -1.182) ( -7.395, 39.145, -1.167) ( 0.13, 0.03, 1.25) 247: bond ( 8.732, 10.230, -12.436) ( 8.739, 10.238, -12.423) ( 0.07, 0.08, 0.10) 247: angle (-18.082, 33.209, 14.652) (-18.079, 33.212, 14.654) ( 0.02, 0.01, 0.01) 247: torsion ( 1.576, -0.176, 0.963) ( 1.576, -0.176, 0.963) ( 0.01, 0.00, 0.00) 247: vdw ( 0.370, -4.129, -4.362) ( 0.370, -4.129, -4.361) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 ( -0.063, 275.793, 24.986) ( -0.057, 275.833, 24.991) ( 0.04, 0.01, 0.02) 247: bond (-61.451, 258.293, -33.425) (-61.448, 258.332, -33.423) ( 0.01, 0.02, 0.01) 247: angle ( 35.883, 14.142, 43.329) ( 35.884, 14.142, 43.330) ( 0.00, 0.00, 0.00) 247: torsion ( 8.079, 1.013, -7.023) ( 8.080, 1.013, -7.022) ( 0.01, 0.00, 0.01) 247: vdw ( 20.022, 2.547, 24.873) ( 20.022, 2.547, 24.873) ( 0.00, 0.00, 0.00) 247: electro ( -2.595, -0.201, -2.767) ( -2.595, -0.201, -2.767) ( 0.00, 0.00, 0.00) 247: 31 (-77.921, 40.028, -66.070) (-77.916, 40.077, -66.053) ( 0.01, 0.12, 0.03) 247: bond ( 0.512, 2.123, 1.160) ( 0.515, 2.172, 1.174) ( 0.14, 2.27, 1.22) 247: angle (-49.362, 40.654, -53.541) (-49.360, 40.655, -53.539) ( 0.00, 0.00, 0.00) 247: torsion (-10.996, -2.287, 9.050) (-10.996, -2.287, 9.050) ( 0.00, 0.00, 0.00) 247: vdw (-20.501, -0.752, -25.565) (-20.501, -0.752, -25.565) ( 0.00, 0.00, 0.00) 247: electro ( 2.426, 0.290, 2.826) ( 2.426, 0.290, 2.826) ( 0.00, 0.00, 0.00) 247: ok 32 # gradients 247: ok 33 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (-115.635, 21.736, 0.189) (-115.570, 21.769, 0.261) ( 0.06, 0.15, 1.36) 247: bond (-155.155, 29.198, 0.313) (-155.106, 29.225, 0.374) ( 0.03, 0.09, 1.92) 247: angle ( 44.402, -8.380, -0.123) ( 44.417, -8.375, -0.113) ( 0.03, 0.06, 0.12) 247: torsion ( 0.002, 0.003, -0.004) ( 0.002, 0.005, -0.004) ( 0.00, 0.00, 0.00) 247: vdw ( -4.883, 0.914, 0.003) ( -4.883, 0.914, 0.003) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 ( 89.152, 70.487, 132.498) ( 89.246, 70.510, 132.551) ( 0.11, 0.03, 0.04) 247: bond (124.343, 54.798, 117.293) (124.423, 54.815, 117.335) ( 0.06, 0.03, 0.04) 247: angle (-29.725, 15.057, 14.214) (-29.711, 15.062, 14.224) ( 0.05, 0.03, 0.07) 247: torsion ( -0.151, -0.795, 0.529) ( -0.151, -0.793, 0.530) ( 0.00, 0.15, 0.05) 247: vdw ( -5.315, 1.427, 0.461) ( -5.315, 1.427, 0.461) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (-39.154, -178.592, -284.443) (-39.068, -178.560, -284.388) ( 0.22, 0.02, 0.02) 247: bond (-12.756, -187.831, -286.760) (-12.680, -187.806, -286.714) ( 0.59, 0.01, 0.02) 247: angle (-31.273, 4.375, 0.135) (-31.263, 4.379, 0.144) ( 0.03, 0.11, 0.12) 247: torsion ( 0.549, 2.943, -1.961) ( 0.549, 2.945, -1.961) ( 0.00, 0.06, 0.04) 247: vdw ( 4.325, 1.921, 4.143) ( 4.325, 1.921, 4.143) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-335.251, 62.938, 0.691) (-335.166, 62.974, 0.761) ( 0.03, 0.06, 4.83) 247: bond (-352.029, 66.166, 0.717) (-351.957, 66.195, 0.779) ( 0.02, 0.04, 4.44) 247: angle ( 14.375, -2.725, -0.053) ( 14.387, -2.720, -0.046) ( 0.08, 0.18, 0.04) 247: torsion ( -0.006, -0.053, 0.030) ( -0.006, -0.051, 0.031) ( 0.00, 0.01, 0.00) 247: vdw ( 2.409, -0.450, -0.003) ( 2.409, -0.450, -0.003) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 ( 27.195, 180.390, 283.496) ( 27.286, 180.416, 283.552) ( 0.33, 0.01, 0.02) 247: bond ( 55.263, 179.325, 285.907) ( 55.344, 179.345, 285.953) ( 0.15, 0.01, 0.02) 247: angle (-30.880, 7.204, -0.115) (-30.869, 7.209, -0.105) ( 0.03, 0.07, 0.11) 247: torsion ( -0.520, -2.785, 1.852) ( -0.520, -2.783, 1.852) ( 0.00, 0.06, 0.04) 247: vdw ( 3.332, -3.355, -4.148) ( 3.332, -3.355, -4.148) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 ( 58.413, -98.539, -133.073) ( 58.501, -98.509, -133.020) ( 0.15, 0.03, 0.04) 247: bond ( 96.824, -96.564, -117.957) ( 96.897, -96.541, -117.916) ( 0.08, 0.02, 0.04) 247: angle (-33.075, -3.298, -14.167) (-33.061, -3.294, -14.157) ( 0.04, 0.14, 0.07) 247: torsion ( 0.134, 0.729, -0.489) ( 0.134, 0.731, -0.488) ( 0.00, 0.14, 0.04) 247: vdw ( -5.469, 0.595, -0.460) ( -5.469, 0.595, -0.460) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (101.790, -18.208, -0.641) (101.875, -18.136, -0.611) ( 0.08, 0.40, 1.91) 247: bond (101.062, -18.055, -0.655) (101.135, -17.991, -0.631) ( 0.07, 0.35, 1.52) 247: angle ( 0.148, -0.048, 0.023) ( 0.161, -0.040, 0.028) ( 0.18, 0.04, 0.01) 247: torsion ( -0.000, -0.002, 0.001) ( -0.000, -0.002, 0.002) ( 0.00, 0.00, 0.00) 247: vdw ( 0.581, -0.104, -0.010) ( 0.581, -0.103, -0.010) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (-138.785, -13.091, 23.815) (-138.689, -13.035, 23.838) ( 0.07, 0.42, 0.10) 247: bond (-140.778, 3.720, 13.499) (-140.696, 3.765, 13.516) ( 0.06, 1.22, 0.13) 247: angle ( 6.594, -24.351, 13.745) ( 6.606, -24.342, 13.748) ( 0.19, 0.04, 0.02) 247: torsion ( 0.047, 0.249, 0.418) ( 0.047, 0.250, 0.420) ( 0.00, 0.02, 0.09) 247: vdw ( -4.485, 7.790, -4.162) ( -4.485, 7.790, -4.162) ( 0.00, 0.00, 0.00) 247: electro ( -0.162, -0.498, 0.315) ( -0.162, -0.498, 0.315) ( 0.00, 0.00, 0.00) 247: 9 (299.960, -16.422, -23.891) (300.048, -16.362, -23.869) ( 0.03, 0.36, 0.09) 247: bond (133.911, -45.712, 12.147) (133.988, -45.663, 12.163) ( 0.06, 0.11, 0.13) 247: angle (160.936, 23.671, -32.124) (160.948, 23.681, -32.121) ( 0.01, 0.04, 0.01) 247: torsion ( -0.001, -0.006, -0.011) ( -0.001, -0.006, -0.009) ( 0.00, 0.00, 0.00) 247: vdw ( 5.102, 6.209, -4.249) ( 5.102, 6.209, -4.249) ( 0.00, 0.00, 0.00) 247: electro ( 0.012, -0.584, 0.346) ( 0.012, -0.584, 0.346) ( 0.00, 0.00, 0.00) 247: 10 (-233.469, 43.737, 0.095) (-233.425, 43.797, 0.119) ( 0.02, 0.14, 0.23) 247: bond (-36.748, 6.966, -0.083) (-36.717, 7.023, -0.062) ( 0.08, 0.82, 0.18) 247: angle (-198.893, 37.174, 0.174) (-198.881, 37.176, 0.175) ( 0.01, 0.01, 0.02) 247: torsion ( 0.001, 0.004, 0.006) ( 0.001, 0.004, 0.007) ( 0.00, 0.00, 0.00) 247: vdw ( 2.172, -0.406, -0.002) ( 2.172, -0.406, -0.002) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 11 (283.908, -93.274, 23.554) (284.004, -93.222, 23.576) ( 0.03, 0.06, 0.09) 247: bond (139.738, -5.983, -12.161) (139.823, -5.943, -12.145) ( 0.06, 0.68, 0.13) 247: angle (141.433, -80.187, 31.834) (141.444, -80.176, 31.838) ( 0.01, 0.01, 0.01) 247: torsion ( -0.002, -0.009, -0.016) ( -0.002, -0.009, -0.014) ( 0.00, 0.00, 0.00) 247: vdw ( 2.517, -7.635, 4.243) ( 2.517, -7.635, 4.243) ( 0.00, 0.00, 0.00) 247: electro ( 0.221, 0.540, -0.346) ( 0.221, 0.540, -0.346) ( 0.00, 0.00, 0.00) 247: 12 (-122.480, 60.874, -23.086) (-122.391, 60.937, -23.063) ( 0.07, 0.10, 0.10) 247: bond (-130.580, 46.096, -12.840) (-130.504, 46.148, -12.823) ( 0.06, 0.11, 0.14) 247: angle ( 15.105, 20.142, -13.695) ( 15.117, 20.151, -13.692) ( 0.08, 0.05, 0.02) 247: torsion ( -0.045, -0.242, -0.407) ( -0.045, -0.241, -0.405) ( 0.00, 0.02, 0.09) 247: vdw ( -6.987, -5.645, 4.172) ( -6.987, -5.645, 4.172) ( 0.00, 0.00, 0.00) 247: electro ( 0.029, 0.523, -0.315) ( 0.029, 0.523, -0.315) ( 0.00, 0.00, 0.00) 247: 13 ( -9.925, 12.224, -6.238) ( -9.911, 12.239, -6.231) ( 0.14, 0.12, 0.11) 247: bond ( 4.051, 4.454, -3.122) ( 4.061, 4.467, -3.116) ( 0.26, 0.28, 0.20) 247: angle (-11.210, 7.819, -3.395) (-11.207, 7.821, -3.395) ( 0.03, 0.02, 0.01) 247: torsion ( -0.006, -0.030, -0.051) ( -0.006, -0.030, -0.050) ( 0.00, 0.00, 0.00) 247: vdw ( -1.943, -0.290, 0.399) ( -1.943, -0.290, 0.399) ( 0.01, 0.00, 0.00) 247: electro ( -0.817, 0.271, -0.069) ( -0.817, 0.271, -0.069) ( 0.00, 0.00, 0.00) 247: 14 (-58.101, -7.908, 11.227) (-58.092, -7.888, 11.233) ( 0.02, 0.25, 0.06) 247: bond ( -5.451, 10.771, -5.813) ( -5.446, 10.790, -5.808) ( 0.09, 0.17, 0.09) 247: angle (-55.786, -18.776, 17.425) (-55.782, -18.776, 17.426) ( 0.01, 0.00, 0.00) 247: torsion ( 0.002, 0.013, 0.021) ( 0.002, 0.013, 0.022) ( 0.00, 0.00, 0.00) 247: vdw ( 2.316, 0.076, -0.310) ( 2.316, 0.076, -0.310) ( 0.00, 0.00, 0.00) 247: electro ( 0.817, 0.009, -0.097) ( 0.817, 0.009, -0.097) ( 0.00, 0.00, 0.00) 247: 15 ( 76.256, 52.092, 107.712) ( 76.305, 52.140, 107.761) ( 0.06, 0.09, 0.05) 247: bond ( 35.609, 26.240, 49.457) ( 35.644, 26.277, 49.494) ( 0.10, 0.14, 0.07) 247: angle ( 39.337, 26.345, 57.041) ( 39.351, 26.356, 57.052) ( 0.03, 0.04, 0.02) 247: torsion ( -0.132, -0.717, 0.478) ( -0.132, -0.716, 0.478) ( 0.00, 0.02, 0.01) 247: vdw ( 1.442, 0.223, 0.737) ( 1.442, 0.223, 0.737) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 ( 44.286, -8.269, 0.021) ( 44.306, -8.267, 0.025) ( 0.05, 0.03, 0.01) 247: bond ( 44.465, -8.332, -0.027) ( 44.486, -8.331, -0.027) ( 0.05, 0.01, 0.00) 247: angle ( 0.006, 0.030, 0.046) ( 0.006, 0.032, 0.049) ( 0.00, 0.00, 0.02) 247: torsion ( -0.001, -0.003, 0.002) ( -0.000, -0.003, 0.002) ( 0.00, 0.00, 0.00) 247: vdw ( -0.185, 0.035, 0.000) ( -0.185, 0.035, 0.001) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 17 ( 11.070, -26.992, -37.858) ( 11.079, -26.985, -37.845) ( 0.08, 0.03, 0.03) 247: bond ( 20.382, -27.254, -35.045) ( 20.386, -27.248, -35.034) ( 0.02, 0.02, 0.03) 247: angle ( 9.567, 1.260, 4.588) ( 9.572, 1.261, 4.589) ( 0.05, 0.01, 0.02) 247: torsion ( -0.026, -0.136, 0.091) ( -0.026, -0.136, 0.091) ( 0.00, 0.00, 0.00) 247: vdw (-18.853, -0.862, -7.491) (-18.852, -0.862, -7.491) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 ( 51.986, -76.293, -107.219) ( 52.034, -76.245, -107.170) ( 0.09, 0.06, 0.05) 247: bond ( 23.428, -37.115, -49.146) ( 23.463, -37.078, -49.109) ( 0.15, 0.10, 0.08) 247: angle ( 27.171, -39.113, -56.891) ( 27.184, -39.102, -56.879) ( 0.05, 0.03, 0.02) 247: torsion ( 0.125, 0.664, -0.443) ( 0.125, 0.664, -0.443) ( 0.00, 0.02, 0.01) 247: vdw ( 1.262, -0.729, -0.739) ( 1.262, -0.729, -0.739) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 ( 20.224, 21.241, 37.963) ( 20.235, 21.245, 37.975) ( 0.06, 0.02, 0.03) 247: bond ( 29.019, 18.087, 35.138) ( 29.026, 18.090, 35.149) ( 0.03, 0.02, 0.03) 247: angle ( 8.429, -4.622, -4.586) ( 8.432, -4.621, -4.585) ( 0.04, 0.02, 0.02) 247: torsion ( 0.025, 0.137, -0.092) ( 0.025, 0.138, -0.092) ( 0.00, 0.00, 0.00) 247: vdw (-17.249, 7.639, 7.504) (-17.249, 7.639, 7.504) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (-13.482, -7.871, 6.229) (-13.474, -7.850, 6.236) ( 0.06, 0.26, 0.11) 247: bond ( 2.196, -5.711, 3.136) ( 2.199, -5.691, 3.142) ( 0.14, 0.35, 0.19) 247: angle (-13.116, -3.204, 3.373) (-13.111, -3.203, 3.373) ( 0.04, 0.01, 0.01) 247: torsion ( 0.005, 0.027, 0.046) ( 0.005, 0.027, 0.046) ( 0.00, 0.00, 0.00) 247: vdw ( -1.707, 0.973, -0.396) ( -1.707, 0.973, -0.396) ( 0.01, 0.00, 0.00) 247: electro ( -0.859, 0.043, 0.071) ( -0.859, 0.043, 0.071) ( 0.00, 0.00, 0.00) 247: 21 (-51.233, 28.537, -11.269) (-51.218, 28.550, -11.263) ( 0.03, 0.05, 0.06) 247: bond ( -8.828, -7.962, 5.713) ( -8.815, -7.951, 5.718) ( 0.15, 0.13, 0.10) 247: angle (-45.295, 37.720, -17.368) (-45.293, 37.722, -17.368) ( 0.01, 0.01, 0.00) 247: torsion ( -0.002, -0.009, -0.016) ( -0.002, -0.009, -0.015) ( 0.00, 0.00, 0.00) 247: vdw ( 2.132, -0.908, 0.306) ( 2.132, -0.908, 0.306) ( 0.00, 0.00, 0.00) 247: electro ( 0.759, -0.304, 0.096) ( 0.759, -0.304, 0.096) ( 0.00, 0.00, 0.00) 247: 22 ( 24.108, -32.847, -9.947) ( 24.118, -32.831, -9.938) ( 0.04, 0.05, 0.10) 247: bond ( 14.454, -21.636, 14.894) ( 14.460, -21.622, 14.901) ( 0.04, 0.07, 0.05) 247: angle ( 9.873, -11.881, -26.823) ( 9.876, -11.879, -26.820) ( 0.03, 0.01, 0.01) 247: torsion ( -0.023, -0.003, 0.019) ( -0.023, -0.003, 0.019) ( 0.00, 0.00, 0.00) 247: vdw ( -0.195, 0.672, 1.962) ( -0.195, 0.672, 1.962) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 ( 27.579, 2.612, -28.301) ( 27.594, 2.626, -28.294) ( 0.05, 0.53, 0.02) 247: bond ( 19.888, 19.685, -11.092) ( 19.900, 19.697, -11.088) ( 0.06, 0.06, 0.03) 247: angle ( 7.749, -17.983, -18.033) ( 7.752, -17.981, -18.030) ( 0.03, 0.01, 0.02) 247: torsion ( 0.020, -0.022, -0.003) ( 0.020, -0.022, -0.003) ( 0.00, 0.00, 0.00) 247: vdw ( -0.078, 0.933, 0.827) ( -0.078, 0.933, 0.827) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (-28.691, 9.540, 6.093) (-28.680, 9.549, 6.107) ( 0.04, 0.10, 0.23) 247: bond (-16.080, 13.930, 19.010) (-16.071, 13.937, 19.022) ( 0.05, 0.05, 0.06) 247: angle (-34.103, -6.913, -23.751) (-34.101, -6.910, -23.749) ( 0.01, 0.04, 0.01) 247: torsion ( 0.003, 0.026, -0.016) ( 0.003, 0.026, -0.016) ( 0.00, 0.00, 0.00) 247: vdw ( 21.489, 2.497, 10.850) ( 21.489, 2.497, 10.850) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 ( 34.410, 22.071, 9.571) ( 34.426, 22.081, 9.580) ( 0.05, 0.04, 0.10) 247: bond ( 21.393, 15.082, -15.096) ( 21.407, 15.089, -15.089) ( 0.06, 0.05, 0.05) 247: angle ( 13.456, 7.526, 26.619) ( 13.458, 7.528, 26.622) ( 0.02, 0.04, 0.01) 247: torsion ( -0.019, 0.010, -0.017) ( -0.019, 0.010, -0.017) ( 0.00, 0.00, 0.00) 247: vdw ( -0.421, -0.547, -1.936) ( -0.421, -0.546, -1.936) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 26 (-30.400, 1.530, -6.272) (-30.384, 1.535, -6.258) ( 0.05, 0.35, 0.23) 247: bond (-20.249, -7.300, -19.136) (-20.236, -7.298, -19.124) ( 0.07, 0.02, 0.06) 247: angle (-29.255, 18.971, 23.710) (-29.253, 18.975, 23.712) ( 0.01, 0.02, 0.01) 247: torsion ( -0.006, -0.023, 0.014) ( -0.006, -0.023, 0.014) ( 0.00, 0.00, 0.00) 247: vdw ( 19.109, -10.119, -10.861) ( 19.110, -10.119, -10.861) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 ( 25.004, -12.499, 28.368) ( 25.011, -12.478, 28.375) ( 0.03, 0.17, 0.02) 247: bond ( 11.583, -25.719, 11.135) ( 11.587, -25.699, 11.138) ( 0.03, 0.08, 0.03) 247: angle ( 13.816, 14.065, 18.075) ( 13.820, 14.066, 18.078) ( 0.02, 0.01, 0.02) 247: torsion ( 0.024, 0.012, 0.003) ( 0.024, 0.012, 0.003) ( 0.00, 0.00, 0.00) 247: vdw ( -0.420, -0.856, -0.844) ( -0.420, -0.856, -0.844) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 34 # gradients 247: ok 35 # energy 247: 247: V A L I D A T E G R A D I E N T S 247: 247: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 247: ---------------------------------------------------------------------------------------- 247: 1 (1369.371, 1195.430, 1995.217) (1369.423, 1195.454, 1995.268) ( 0.00, 0.00, 0.00) 247: bond (1461.461, 1275.601, 2025.255) (1461.505, 1275.614, 2025.297) ( 0.00, 0.00, 0.00) 247: angle (-94.800, -75.151, -31.579) (-94.792, -75.141, -31.571) ( 0.01, 0.01, 0.03) 247: torsion ( 2.079, -6.467, 0.470) ( 2.079, -6.467, 0.470) ( 0.00, 0.01, 0.00) 247: vdw ( 0.631, 1.447, 1.072) ( 0.631, 1.447, 1.072) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 2 (-181.675, 105.621, 179.573) (-181.622, 105.667, 179.622) ( 0.03, 0.04, 0.03) 247: bond (-148.144, 60.423, 102.210) (-148.102, 60.459, 102.246) ( 0.03, 0.06, 0.04) 247: angle (-28.350, 45.228, 69.391) (-28.340, 45.238, 69.404) ( 0.04, 0.02, 0.02) 247: torsion ( -1.446, 1.438, 1.670) ( -1.446, 1.438, 1.670) ( 0.02, 0.03, 0.02) 247: vdw ( -3.735, -1.468, 6.302) ( -3.735, -1.468, 6.302) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 3 (-132.371, -161.041, 125.197) (-132.323, -160.993, 125.249) ( 0.04, 0.03, 0.04) 247: bond (-94.820, -119.067, 105.652) (-94.784, -119.030, 105.693) ( 0.04, 0.03, 0.04) 247: angle (-31.282, -40.683, 10.602) (-31.271, -40.672, 10.611) ( 0.03, 0.03, 0.09) 247: torsion ( -1.488, -1.816, 0.312) ( -1.488, -1.815, 0.312) ( 0.03, 0.03, 0.01) 247: vdw ( -4.780, 0.524, 8.632) ( -4.780, 0.524, 8.632) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 4 (-15.902, 115.758, 12.897) (-15.857, 115.778, 12.945) ( 0.29, 0.02, 0.38) 247: bond (-28.066, 85.668, -9.634) (-28.027, 85.679, -9.591) ( 0.14, 0.01, 0.44) 247: angle ( 14.028, 26.175, 23.400) ( 14.034, 26.182, 23.406) ( 0.04, 0.03, 0.03) 247: torsion ( -1.256, 4.948, 0.115) ( -1.256, 4.948, 0.116) ( 0.02, 0.01, 0.00) 247: vdw ( -0.608, -1.032, -0.985) ( -0.608, -1.032, -0.985) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 5 (176.944, -86.116, -142.995) (176.997, -86.070, -142.947) ( 0.03, 0.05, 0.03) 247: bond (141.110, -61.763, -102.053) (141.152, -61.727, -102.017) ( 0.03, 0.06, 0.04) 247: angle ( 26.086, -27.000, -36.336) ( 26.097, -26.991, -36.325) ( 0.04, 0.03, 0.03) 247: torsion ( 0.894, -1.212, -1.769) ( 0.894, -1.211, -1.768) ( 0.03, 0.04, 0.02) 247: vdw ( 8.855, 3.859, -2.837) ( 8.855, 3.859, -2.837) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 6 (157.851, 189.819, -117.633) (157.899, 189.868, -117.581) ( 0.03, 0.03, 0.04) 247: bond ( 96.212, 121.860, -105.322) ( 96.248, 121.897, -105.281) ( 0.04, 0.03, 0.04) 247: angle ( 52.701, 64.745, -8.770) ( 52.712, 64.757, -8.760) ( 0.02, 0.02, 0.11) 247: torsion ( 1.075, 2.443, -0.727) ( 1.075, 2.444, -0.727) ( 0.04, 0.02, 0.02) 247: vdw ( 7.863, 0.770, -2.813) ( 7.863, 0.770, -2.813) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 7 (-133.686, -119.156, -187.980) (-133.636, -119.106, -187.928) ( 0.04, 0.04, 0.03) 247: bond (-85.996, -97.284, -126.688) (-85.958, -97.245, -126.649) ( 0.04, 0.04, 0.03) 247: angle (-41.435, -21.293, -53.864) (-41.424, -21.281, -53.852) ( 0.03, 0.05, 0.02) 247: torsion ( -0.017, 0.011, 0.003) ( -0.017, 0.011, 0.003) ( 0.00, 0.00, 0.00) 247: vdw ( -6.238, -0.590, -7.431) ( -6.238, -0.590, -7.430) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 8 (1573.982, -2052.237, -2187.666) (1574.030, -2052.177, -2187.611) ( 0.00, 0.00, 0.00) 247: bond (1548.366, -2060.217, -2183.958) (1548.400, -2060.170, -2183.914) ( 0.00, 0.00, 0.00) 247: angle ( 19.787, 7.107, -6.660) ( 19.801, 7.120, -6.649) ( 0.07, 0.18, 0.17) 247: torsion ( -1.000, 2.025, -1.521) ( -1.000, 2.025, -1.521) ( 0.00, 0.00, 0.02) 247: vdw ( 2.318, 1.078, 4.865) ( 2.318, 1.078, 4.865) ( 0.01, 0.01, 0.00) 247: electro ( 4.512, -2.230, -0.392) ( 4.512, -2.230, -0.392) ( 0.00, 0.00, 0.00) 247: 9 ( -7.983, -41.507, -35.682) ( -7.977, -41.500, -35.661) ( 0.07, 0.02, 0.06) 247: bond ( 4.870, 5.245, -14.381) ( 4.872, 5.247, -14.361) ( 0.05, 0.05, 0.14) 247: angle (-15.868, -48.162, -22.980) (-15.864, -48.158, -22.979) ( 0.02, 0.01, 0.00) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 3.787, 0.954, 0.884) ( 3.787, 0.954, 0.884) ( 0.00, 0.00, 0.00) 247: electro ( -0.772, 0.456, 0.795) ( -0.772, 0.456, 0.795) ( 0.00, 0.00, 0.00) 247: 10 ( 27.594, -14.399, -46.283) ( 27.599, -14.375, -46.279) ( 0.02, 0.17, 0.01) 247: bond ( 1.010, -10.223, 1.585) ( 1.011, -10.199, 1.586) ( 0.03, 0.24, 0.04) 247: angle ( 30.378, -4.575, -48.799) ( 30.382, -4.575, -48.795) ( 0.01, 0.00, 0.01) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( -1.850, 0.228, 1.522) ( -1.850, 0.228, 1.522) ( 0.01, 0.00, 0.01) 247: electro ( -1.944, 0.171, -0.592) ( -1.944, 0.171, -0.592) ( 0.00, 0.00, 0.00) 247: 11 (-2877.194, 780.290, 282.207) (-2877.127, 780.387, 282.225) ( 0.00, 0.01, 0.01) 247: bond (-2944.764, 766.776, 249.933) (-2944.709, 766.863, 249.945) ( 0.00, 0.01, 0.01) 247: angle ( 71.107, 12.851, 27.872) ( 71.119, 12.861, 27.874) ( 0.02, 0.07, 0.01) 247: torsion ( 0.047, -0.634, 2.789) ( 0.047, -0.634, 2.791) ( 0.00, 0.01, 0.08) 247: vdw ( -3.584, 1.297, 1.614) ( -3.584, 1.297, 1.614) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 12 (-70.944, -46.432, -11.513) (-70.859, -46.350, -11.506) ( 0.12, 0.18, 0.07) 247: bond (-73.273, -87.425, -19.694) (-73.200, -87.355, -19.690) ( 0.10, 0.08, 0.02) 247: angle ( 8.092, 43.087, 10.723) ( 8.105, 43.099, 10.723) ( 0.15, 0.03, 0.01) 247: torsion ( -0.013, 0.501, -2.331) ( -0.013, 0.501, -2.328) ( 0.00, 0.01, 0.13) 247: vdw ( -4.596, -4.209, -1.153) ( -4.596, -4.209, -1.153) ( 0.00, 0.00, 0.00) 247: electro ( -1.154, 1.614, 0.942) ( -1.154, 1.614, 0.942) ( 0.00, 0.00, 0.00) 247: 13 (103.292, -167.482, -50.570) (103.394, -167.413, -50.562) ( 0.10, 0.04, 0.02) 247: bond (101.082, -18.155, -7.464) (101.171, -18.100, -7.460) ( 0.09, 0.30, 0.06) 247: angle ( 10.732, -148.703, -38.696) ( 10.745, -148.689, -38.695) ( 0.12, 0.01, 0.00) 247: torsion ( -0.027, 0.546, -2.011) ( -0.027, 0.546, -2.008) ( 0.00, 0.01, 0.15) 247: vdw ( -8.577, -1.464, -3.092) ( -8.577, -1.463, -3.092) ( 0.00, 0.02, 0.00) 247: electro ( 0.082, 0.294, 0.693) ( 0.082, 0.294, 0.693) ( 0.00, 0.00, 0.00) 247: 14 (-340.783, 244.004, 103.856) (-340.702, 244.105, 103.865) ( 0.02, 0.04, 0.01) 247: bond (-242.685, 169.679, 51.566) (-242.620, 169.756, 51.571) ( 0.03, 0.05, 0.01) 247: angle (-90.118, 80.283, 38.870) (-90.102, 80.306, 38.871) ( 0.02, 0.03, 0.00) 247: torsion ( 0.878, -3.052, 21.109) ( 0.878, -3.052, 21.112) ( 0.00, 0.01, 0.02) 247: vdw ( -8.858, -2.905, -7.690) ( -8.858, -2.905, -7.689) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 15 (-73.315, -132.854, -48.254) (-73.221, -132.766, -48.244) ( 0.13, 0.07, 0.02) 247: bond (-57.772, -173.544, -48.927) (-57.694, -173.468, -48.921) ( 0.14, 0.04, 0.01) 247: angle (-12.260, 33.289, 10.647) (-12.246, 33.300, 10.648) ( 0.12, 0.03, 0.01) 247: torsion ( -0.061, 1.973, -7.707) ( -0.061, 1.974, -7.705) ( 0.00, 0.01, 0.04) 247: vdw ( -3.222, 5.428, -2.267) ( -3.221, 5.428, -2.267) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 16 ( 35.176, 96.616, 32.145) ( 35.277, 96.684, 32.153) ( 0.28, 0.07, 0.03) 247: bond (107.267, 64.420, 20.261) (107.355, 64.475, 20.266) ( 0.08, 0.09, 0.02) 247: angle (-66.999, 27.788, 6.767) (-66.988, 27.800, 6.768) ( 0.02, 0.04, 0.01) 247: torsion ( 0.086, -0.719, 3.121) ( 0.086, -0.718, 3.124) ( 0.00, 0.01, 0.10) 247: vdw ( -3.557, 6.031, 1.619) ( -3.557, 6.031, 1.619) ( 0.00, 0.00, 0.00) 247: electro ( -1.620, -0.904, 0.376) ( -1.620, -0.904, 0.376) ( 0.00, 0.00, 0.00) 247: 17 ( 72.990, -38.251, -125.567) ( 73.023, -38.214, -125.562) ( 0.05, 0.10, 0.00) 247: bond ( 76.533, 48.205, -2.919) ( 76.562, 48.230, -2.920) ( 0.04, 0.05, 0.01) 247: angle ( 44.783, 15.169, -6.917) ( 44.787, 15.180, -6.916) ( 0.01, 0.07, 0.02) 247: torsion ( -4.190, -0.869, -11.772) ( -4.190, -0.869, -11.770) ( 0.00, 0.01, 0.02) 247: vdw (-44.136, -100.757, -103.958) (-44.136, -100.754, -103.956) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 18 (119.639, -56.704, -193.548) (119.684, -56.658, -193.499) ( 0.04, 0.08, 0.03) 247: bond ( 90.494, -62.887, -134.670) ( 90.528, -62.851, -134.631) ( 0.04, 0.06, 0.03) 247: angle ( 7.958, 4.349, -58.658) ( 7.967, 4.359, -58.648) ( 0.11, 0.23, 0.02) 247: torsion ( 6.994, 0.785, -1.421) ( 6.994, 0.785, -1.420) ( 0.01, 0.02, 0.05) 247: vdw ( 14.194, 1.049, 1.201) ( 14.194, 1.049, 1.201) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 19 (-28.867, -137.080, 213.252) (-28.819, -137.032, 213.302) ( 0.17, 0.04, 0.02) 247: bond ( -2.959, -76.425, 133.671) ( -2.923, -76.388, 133.709) ( 1.23, 0.05, 0.03) 247: angle (-21.380, -58.465, 80.090) (-21.369, -58.454, 80.102) ( 0.05, 0.02, 0.02) 247: torsion ( -6.308, -1.853, -1.783) ( -6.308, -1.852, -1.783) ( 0.01, 0.02, 0.01) 247: vdw ( 1.781, -0.337, 1.274) ( 1.781, -0.337, 1.274) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 20 (207.909, -466.263, 79.993) (207.985, -466.174, 80.005) ( 0.04, 0.02, 0.01) 247: bond (182.230, -600.186, 98.639) (182.294, -600.111, 98.647) ( 0.04, 0.01, 0.01) 247: angle ( 30.140, 138.056, -17.107) ( 30.152, 138.069, -17.105) ( 0.04, 0.01, 0.01) 247: torsion ( -1.300, 0.946, 0.552) ( -1.300, 0.946, 0.554) ( 0.03, 0.01, 0.12) 247: vdw ( -3.161, -5.079, -2.091) ( -3.161, -5.079, -2.091) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 21 (264.766, 1019.746, 41.828) (264.807, 1019.826, 41.835) ( 0.02, 0.01, 0.02) 247: bond (243.258, 971.230, 40.076) (243.286, 971.307, 40.079) ( 0.01, 0.01, 0.01) 247: angle ( 14.169, 42.623, 0.148) ( 14.181, 42.625, 0.150) ( 0.08, 0.01, 0.03) 247: torsion ( -1.329, 0.222, 3.722) ( -1.329, 0.222, 3.723) ( 0.02, 0.00, 0.04) 247: vdw ( 8.669, 5.671, -2.118) ( 8.669, 5.671, -2.118) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 22 (-402.004, -170.741, -141.440) (-401.917, -170.640, -141.423) ( 0.02, 0.06, 0.01) 247: bond (-503.192, -178.190, -182.315) (-503.117, -178.102, -182.302) ( 0.02, 0.05, 0.01) 247: angle (102.277, 0.774, 39.469) (102.288, 0.786, 39.470) ( 0.01, 0.93, 0.00) 247: torsion ( -0.534, 0.081, 1.258) ( -0.533, 0.081, 1.261) ( 0.02, 0.00, 0.24) 247: vdw ( -0.555, 6.594, 0.148) ( -0.555, 6.594, 0.148) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 23 (265.191, -645.691, 142.343) (265.272, -645.583, 142.360) ( 0.03, 0.02, 0.01) 247: bond (398.592, -719.663, 195.944) (398.659, -719.565, 195.956) ( 0.02, 0.01, 0.01) 247: angle (-135.752, 68.646, -51.584) (-135.740, 68.656, -51.583) ( 0.01, 0.01, 0.00) 247: torsion ( 0.753, -0.118, -2.003) ( 0.754, -0.118, -2.000) ( 0.04, 0.00, 0.18) 247: vdw ( 1.598, 5.444, -0.014) ( 1.598, 5.444, -0.014) ( 0.01, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 24 (-80.570, 704.233, -74.510) (-80.507, 704.325, -74.494) ( 0.08, 0.01, 0.02) 247: bond ( 93.805, 555.868, 4.190) ( 93.859, 555.946, 4.203) ( 0.06, 0.01, 0.31) 247: angle (-173.921, 150.290, -79.824) (-173.912, 150.303, -79.823) ( 0.01, 0.01, 0.00) 247: torsion ( -0.452, 0.056, 1.226) ( -0.452, 0.056, 1.228) ( 0.02, 0.00, 0.21) 247: vdw ( -0.003, -1.981, -0.103) ( -0.003, -1.981, -0.103) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 25 (138.634, -255.892, 72.775) (138.719, -255.822, 72.790) ( 0.06, 0.03, 0.02) 247: bond ( 78.315, 129.261, 21.824) ( 78.391, 129.313, 21.836) ( 0.10, 0.04, 0.06) 247: angle ( 56.522, -381.810, 49.106) ( 56.530, -381.791, 49.107) ( 0.01, 0.00, 0.00) 247: torsion ( 0.678, 0.012, -1.874) ( 0.679, 0.012, -1.871) ( 0.03, 0.00, 0.13) 247: vdw ( 2.878, -4.540, 3.180) ( 2.878, -4.540, 3.180) ( 0.00, 0.01, 0.00) 247: electro ( 0.241, 1.185, 0.538) ( 0.241, 1.185, 0.538) ( 0.00, 0.00, 0.00) 247: 26 (-136.091, -340.547, -47.481) (-136.024, -340.460, -47.468) ( 0.05, 0.03, 0.03) 247: bond (-101.762, -361.165, -9.618) (-101.706, -361.091, -9.610) ( 0.06, 0.02, 0.08) 247: angle (-38.960, 23.208, -34.425) (-38.950, 23.221, -34.422) ( 0.03, 0.06, 0.01) 247: torsion ( 3.895, -1.182, -10.458) ( 3.895, -1.182, -10.457) ( 0.01, 0.01, 0.02) 247: vdw ( 0.737, -1.408, 7.021) ( 0.737, -1.408, 7.021) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 27 (392.416, -128.937, 160.507) (392.479, -128.885, 160.518) ( 0.02, 0.04, 0.01) 247: bond (379.882, -144.919, 155.173) (379.943, -144.876, 155.182) ( 0.02, 0.03, 0.01) 247: angle ( 14.261, 17.407, 2.817) ( 14.264, 17.416, 2.818) ( 0.02, 0.05, 0.04) 247: torsion ( -1.305, 0.304, 3.355) ( -1.305, 0.304, 3.356) ( 0.01, 0.00, 0.02) 247: vdw ( -0.422, -1.729, -0.838) ( -0.422, -1.729, -0.838) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 28 (1315.146, -74.669, 493.336) (1315.206, -74.577, 493.354) ( 0.00, 0.12, 0.00) 247: bond (1185.804, 92.689, 432.055) (1185.856, 92.772, 432.069) ( 0.00, 0.09, 0.00) 247: angle (130.865, -167.104, 60.684) (130.874, -167.094, 60.687) ( 0.01, 0.01, 0.00) 247: torsion ( -0.460, 0.082, 1.241) ( -0.460, 0.082, 1.242) ( 0.01, 0.00, 0.11) 247: vdw ( -1.064, -0.337, -0.644) ( -1.064, -0.337, -0.644) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 29 (-407.489, 229.581, -174.705) (-407.472, 229.589, -174.700) ( 0.00, 0.00, 0.00) 247: bond (-428.438, 181.023, -179.396) (-428.422, 181.028, -179.392) ( 0.00, 0.00, 0.00) 247: angle ( 18.109, 47.213, 4.397) ( 18.110, 47.216, 4.397) ( 0.00, 0.01, 0.00) 247: torsion ( 0.211, -0.029, -0.534) ( 0.211, -0.029, -0.534) ( 0.00, 0.00, 0.03) 247: vdw ( 2.629, 1.375, 0.829) ( 2.629, 1.375, 0.829) ( 0.00, 0.01, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 30 (-1375.520, 93.450, -519.145) (-1375.476, 93.506, -519.093) ( 0.00, 0.06, 0.01) 247: bond (-1368.931, 2.598, -509.342) (-1368.899, 2.640, -509.300) ( 0.00, 1.63, 0.01) 247: angle ( -6.421, 89.619, -9.663) ( -6.410, 89.632, -9.653) ( 0.18, 0.01, 0.11) 247: torsion ( -0.024, 0.004, 0.064) ( -0.024, 0.004, 0.065) ( 0.00, 0.00, 0.00) 247: vdw ( -0.144, 1.230, -0.204) ( -0.144, 1.230, -0.204) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 31 (-252.383, 68.712, 72.986) (-252.334, 68.760, 73.032) ( 0.02, 0.07, 0.06) 247: bond (-183.680, 108.332, 28.850) (-183.643, 108.368, 28.887) ( 0.02, 0.03, 0.13) 247: angle (-67.485, -40.784, 37.274) (-67.473, -40.773, 37.283) ( 0.02, 0.03, 0.02) 247: torsion ( -1.634, 0.633, 4.614) ( -1.633, 0.633, 4.614) ( 0.03, 0.02, 0.01) 247: vdw ( 0.416, 0.531, 2.248) ( 0.416, 0.531, 2.248) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 32 ( 26.424, 201.539, -65.524) ( 26.469, 201.589, -65.476) ( 0.17, 0.02, 0.07) 247: bond ( 10.558, 131.097, -37.808) ( 10.594, 131.133, -37.771) ( 0.34, 0.03, 0.10) 247: angle ( 15.093, 68.172, -27.150) ( 15.102, 68.185, -27.140) ( 0.06, 0.02, 0.04) 247: torsion ( 0.521, 3.013, -1.060) ( 0.521, 3.013, -1.060) ( 0.03, 0.02, 0.02) 247: vdw ( 0.252, -0.742, 0.494) ( 0.252, -0.742, 0.494) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 33 ( 5.447, -166.720, -114.957) ( 5.495, -166.670, -114.908) ( 0.89, 0.03, 0.04) 247: bond ( 0.388, -85.303, -71.338) ( 0.425, -85.265, -71.301) ( 1.43, 0.04, 0.05) 247: angle ( 3.800, -80.567, -42.048) ( 3.811, -80.555, -42.036) ( 0.29, 0.02, 0.03) 247: torsion ( 0.744, -0.036, 0.075) ( 0.745, -0.036, 0.076) ( 0.04, 0.00, 0.00) 247: vdw ( 0.514, -0.814, -1.646) ( 0.514, -0.814, -1.646) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 34 ( 39.872, -79.602, -11.314) ( 39.879, -79.577, -11.310) ( 0.02, 0.03, 0.04) 247: bond ( 31.505, -86.048, 4.238) ( 31.508, -86.023, 4.238) ( 0.01, 0.03, 0.01) 247: angle ( 12.846, 3.739, -19.615) ( 12.848, 3.740, -19.612) ( 0.02, 0.01, 0.02) 247: torsion ( 2.043, 0.649, -2.011) ( 2.043, 0.649, -2.011) ( 0.00, 0.00, 0.01) 247: vdw ( -6.521, 2.057, 6.075) ( -6.521, 2.057, 6.075) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 35 ( 36.284, 22.966, -82.660) ( 36.289, 22.973, -82.636) ( 0.01, 0.03, 0.03) 247: bond ( 21.884, 34.000, -84.579) ( 21.886, 34.004, -84.556) ( 0.01, 0.01, 0.03) 247: angle ( 18.455, -11.667, 0.087) ( 18.458, -11.664, 0.087) ( 0.01, 0.03, 0.00) 247: torsion ( -0.871, 0.454, -0.043) ( -0.871, 0.454, -0.043) ( 0.01, 0.01, 0.00) 247: vdw ( -3.185, 0.179, 1.876) ( -3.184, 0.179, 1.876) ( 0.01, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 36 ( 88.882, 10.987, -11.983) ( 88.909, 10.992, -11.979) ( 0.03, 0.04, 0.03) 247: bond ( 91.385, -5.329, -13.368) ( 91.412, -5.328, -13.367) ( 0.03, 0.01, 0.01) 247: angle ( -0.040, 18.084, -7.489) ( -0.040, 18.088, -7.487) ( 0.00, 0.02, 0.04) 247: torsion ( 0.028, -1.127, 0.641) ( 0.028, -1.127, 0.641) ( 0.00, 0.01, 0.00) 247: vdw ( -2.490, -0.640, 8.233) ( -2.490, -0.640, 8.234) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 37 ( -4.098, 87.111, -10.557) ( -4.092, 87.137, -10.553) ( 0.14, 0.03, 0.04) 247: bond (-24.076, 86.846, -10.570) (-24.074, 86.872, -10.569) ( 0.01, 0.03, 0.01) 247: angle ( 21.480, 4.731, -10.050) ( 21.483, 4.731, -10.048) ( 0.02, 0.00, 0.03) 247: torsion ( 2.789, 0.583, -1.558) ( 2.789, 0.583, -1.558) ( 0.01, 0.00, 0.00) 247: vdw ( -4.290, -5.049, 11.622) ( -4.290, -5.049, 11.622) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 38 (-23.572, -16.685, 85.626) (-23.567, -16.678, 85.650) ( 0.02, 0.04, 0.03) 247: bond (-20.719, -32.829, 83.983) (-20.718, -32.825, 84.006) ( 0.01, 0.01, 0.03) 247: angle (-11.944, 14.964, 2.903) (-11.941, 14.967, 2.904) ( 0.02, 0.02, 0.02) 247: torsion ( 0.733, -0.743, -0.110) ( 0.733, -0.743, -0.110) ( 0.01, 0.01, 0.00) 247: vdw ( 8.358, 1.923, -1.150) ( 8.359, 1.923, -1.150) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 39 (-33.595, 79.887, 14.514) (-33.588, 79.911, 14.518) ( 0.02, 0.03, 0.03) 247: bond (-31.431, 85.012, -4.595) (-31.427, 85.037, -4.594) ( 0.01, 0.03, 0.01) 247: angle (-13.511, -3.912, 19.998) (-13.508, -3.912, 20.001) ( 0.02, 0.01, 0.02) 247: torsion ( -1.754, -0.523, 2.320) ( -1.754, -0.523, 2.321) ( 0.00, 0.00, 0.01) 247: vdw ( 13.101, -0.691, -3.210) ( 13.101, -0.691, -3.210) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 40 (-89.565, -10.449, 25.871) (-89.538, -10.445, 25.875) ( 0.03, 0.04, 0.02) 247: bond (-93.440, 4.720, 14.652) (-93.413, 4.721, 14.653) ( 0.03, 0.01, 0.01) 247: angle ( 1.162, -17.513, 13.046) ( 1.162, -17.510, 13.049) ( 0.01, 0.02, 0.02) 247: torsion ( -0.082, 0.250, -0.606) ( -0.082, 0.250, -0.606) ( 0.00, 0.00, 0.00) 247: vdw ( 2.795, 2.094, -1.222) ( 2.795, 2.094, -1.222) ( 0.00, 0.00, 0.02) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 41 ( 8.560, -87.495, 19.317) ( 8.566, -87.469, 19.321) ( 0.07, 0.03, 0.02) 247: bond ( 25.302, -87.579, 10.941) ( 25.304, -87.554, 10.942) ( 0.01, 0.03, 0.01) 247: angle (-20.325, -4.214, 13.279) (-20.322, -4.213, 13.282) ( 0.02, 0.01, 0.02) 247: torsion ( -1.939, -0.352, 1.667) ( -1.939, -0.352, 1.667) ( 0.01, 0.00, 0.00) 247: vdw ( 5.522, 4.650, -6.571) ( 5.523, 4.650, -6.570) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 42 (-13.989, 74.223, 4.958) (-13.983, 74.249, 4.962) ( 0.04, 0.03, 0.08) 247: bond (-21.453, 74.914, -3.292) (-21.450, 74.940, -3.291) ( 0.01, 0.03, 0.01) 247: angle ( 14.946, 5.094, 18.557) ( 14.949, 5.094, 18.561) ( 0.02, 0.00, 0.02) 247: torsion ( -0.016, -0.004, 0.014) ( -0.016, -0.004, 0.014) ( 0.00, 0.00, 0.00) 247: vdw ( -7.466, -5.781, -10.321) ( -7.466, -5.781, -10.321) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 43 ( 78.263, -2.252, 8.047) ( 78.290, -2.248, 8.051) ( 0.03, 0.18, 0.06) 247: bond ( 77.211, -4.184, -9.515) ( 77.238, -4.183, -9.514) ( 0.04, 0.01, 0.01) 247: angle ( 3.619, 3.438, 27.860) ( 3.619, 3.442, 27.863) ( 0.00, 0.11, 0.01) 247: torsion ( 0.007, -0.165, 0.126) ( 0.007, -0.165, 0.126) ( 0.00, 0.00, 0.00) 247: vdw ( -2.573, -1.341, -10.424) ( -2.573, -1.341, -10.424) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 44 ( 0.559, -21.658, 75.747) ( 0.565, -21.651, 75.771) ( 0.29, 0.03, 0.03) 247: bond (-15.723, -27.268, 71.326) (-15.722, -27.264, 71.349) ( 0.01, 0.01, 0.03) 247: angle ( 25.339, 8.729, 8.920) ( 25.342, 8.732, 8.921) ( 0.01, 0.04, 0.01) 247: torsion ( 0.198, -0.151, -0.014) ( 0.198, -0.151, -0.014) ( 0.00, 0.00, 0.00) 247: vdw ( -9.254, -2.968, -4.484) ( -9.254, -2.968, -4.484) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 45 ( 64.163, 80.826, 16.856) ( 64.181, 80.843, 16.858) ( 0.03, 0.02, 0.01) 247: bond ( 74.615, 74.402, 16.715) ( 74.629, 74.416, 16.717) ( 0.02, 0.02, 0.01) 247: angle ( -6.637, 6.301, 1.557) ( -6.635, 6.304, 1.557) ( 0.04, 0.04, 0.01) 247: torsion ( -0.008, 0.091, -0.372) ( -0.008, 0.091, -0.371) ( 0.00, 0.00, 0.03) 247: vdw ( -2.955, 0.013, -0.139) ( -2.954, 0.013, -0.139) ( 0.01, 0.00, 0.00) 247: electro ( -0.852, 0.018, -0.906) ( -0.852, 0.018, -0.906) ( 0.00, 0.00, 0.00) 247: 46 (-16.253, 103.541, 27.783) (-16.245, 103.567, 27.786) ( 0.05, 0.03, 0.01) 247: bond (-17.811, 88.988, 23.233) (-17.810, 89.014, 23.235) ( 0.01, 0.03, 0.01) 247: angle ( 54.867, 10.478, 1.919) ( 54.872, 10.478, 1.919) ( 0.01, 0.00, 0.00) 247: torsion ( 0.012, -0.370, 1.425) ( 0.012, -0.370, 1.425) ( 0.00, 0.00, 0.05) 247: vdw (-53.523, 4.113, 1.555) (-53.521, 4.113, 1.555) ( 0.00, 0.00, 0.01) 247: electro ( 0.202, 0.332, -0.349) ( 0.202, 0.332, -0.349) ( 0.00, 0.00, 0.00) 247: 47 ( 46.686, -89.427, -26.362) ( 46.694, -89.402, -26.359) ( 0.02, 0.03, 0.01) 247: bond ( 27.135, -94.224, -26.191) ( 27.138, -94.199, -26.189) ( 0.01, 0.03, 0.01) 247: angle ( 23.097, 6.332, 1.160) ( 23.102, 6.333, 1.160) ( 0.02, 0.01, 0.01) 247: torsion ( -0.042, 0.706, -2.585) ( -0.042, 0.706, -2.584) ( 0.00, 0.00, 0.03) 247: vdw ( -6.905, -1.903, 1.416) ( -6.905, -1.903, 1.416) ( 0.01, 0.00, 0.00) 247: electro ( 3.401, -0.339, -0.162) ( 3.401, -0.339, -0.162) ( 0.00, 0.00, 0.00) 247: 48 (-80.683, -1.490, 46.931) (-80.656, -1.486, 46.937) ( 0.03, 0.23, 0.01) 247: bond (-88.637, -2.317, 20.880) (-88.611, -2.317, 20.882) ( 0.03, 0.02, 0.01) 247: angle ( 5.474, -2.071, 22.996) ( 5.474, -2.068, 23.000) ( 0.00, 0.14, 0.01) 247: torsion ( 1.564, 0.257, 6.664) ( 1.564, 0.257, 6.664) ( 0.00, 0.00, 0.00) 247: vdw ( 0.917, 2.642, -3.609) ( 0.917, 2.642, -3.609) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 49 ( 27.346, 12.069, 61.421) ( 27.357, 12.077, 61.439) ( 0.04, 0.07, 0.03) 247: bond ( 27.464, 27.278, 46.599) ( 27.470, 27.284, 46.615) ( 0.02, 0.02, 0.04) 247: angle (-45.485, -9.884, 32.585) (-45.483, -9.881, 32.586) ( 0.01, 0.02, 0.00) 247: torsion ( 1.360, 1.464, -1.659) ( 1.361, 1.464, -1.659) ( 0.02, 0.00, 0.01) 247: vdw ( 44.008, -6.790, -16.103) ( 44.009, -6.790, -16.103) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 50 (-19.918, 78.133, -20.035) (-19.910, 78.158, -20.031) ( 0.04, 0.03, 0.02) 247: bond (-29.029, 74.253, 5.631) (-29.025, 74.277, 5.631) ( 0.01, 0.03, 0.01) 247: angle ( 10.553, 6.257, -28.126) ( 10.556, 6.257, -28.123) ( 0.03, 0.01, 0.01) 247: torsion ( -0.656, -0.240, -0.212) ( -0.656, -0.240, -0.212) ( 0.01, 0.00, 0.00) 247: vdw ( -0.786, -2.136, 2.672) ( -0.786, -2.136, 2.672) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 51 ( 59.372, 24.629, -42.928) ( 59.398, 24.633, -42.922) ( 0.04, 0.02, 0.01) 247: bond ( 64.561, 5.165, -19.507) ( 64.586, 5.165, -19.505) ( 0.04, 0.01, 0.01) 247: angle (-12.918, 24.858, -36.193) (-12.918, 24.862, -36.190) ( 0.00, 0.01, 0.01) 247: torsion ( 0.060, 0.650, 0.370) ( 0.060, 0.650, 0.370) ( 0.00, 0.01, 0.00) 247: vdw ( 7.669, -6.044, 12.403) ( 7.669, -6.044, 12.403) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 52 (-30.314, -16.291, -76.443) (-30.304, -16.282, -76.426) ( 0.03, 0.06, 0.02) 247: bond (-39.923, -37.279, -58.542) (-39.916, -37.273, -58.527) ( 0.02, 0.02, 0.03) 247: angle ( 10.108, 21.559, -20.629) ( 10.111, 21.562, -20.628) ( 0.03, 0.01, 0.01) 247: torsion ( 0.298, -0.200, -0.076) ( 0.298, -0.200, -0.076) ( 0.00, 0.00, 0.00) 247: vdw ( -0.797, -0.372, 2.804) ( -0.797, -0.372, 2.804) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 53 ( 94.650, 84.772, 119.505) ( 94.656, 84.803, 119.509) ( 0.01, 0.04, 0.00) 247: bond ( 2.433, -20.470, 2.878) ( 2.434, -20.442, 2.879) ( 0.01, 0.14, 0.02) 247: angle ( 34.810, 5.798, 11.741) ( 34.814, 5.798, 11.742) ( 0.01, 0.00, 0.01) 247: torsion ( 1.481, -0.354, -3.766) ( 1.481, -0.354, -3.765) ( 0.01, 0.00, 0.01) 247: vdw ( 58.022, 100.394, 109.595) ( 58.023, 100.397, 109.597) ( 0.00, 0.00, 0.00) 247: electro ( -2.096, -0.597, -0.943) ( -2.096, -0.597, -0.943) ( 0.00, 0.00, 0.00) 247: 54 (-23.064, -68.758, -2.726) (-23.057, -68.733, -2.722) ( 0.03, 0.04, 0.16) 247: bond (-23.826, -68.424, -3.381) (-23.823, -68.399, -3.381) ( 0.01, 0.04, 0.01) 247: angle ( -0.162, 0.040, 0.306) ( -0.159, 0.040, 0.310) ( 0.05, 0.00, 0.12) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 0.924, -0.373, 0.349) ( 0.924, -0.373, 0.349) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 55 (-40.151, 26.871, 56.321) (-40.140, 26.881, 56.334) ( 0.03, 0.04, 0.02) 247: bond (-43.020, 38.071, 45.501) (-43.010, 38.079, 45.512) ( 0.02, 0.02, 0.02) 247: angle ( 0.667, -12.551, 11.129) ( 0.669, -12.548, 11.131) ( 0.14, 0.02, 0.02) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 2.201, 1.351, -0.308) ( 2.201, 1.351, -0.308) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 56 ( 7.916, 16.915, -72.081) ( 7.920, 16.924, -72.056) ( 0.04, 0.05, 0.03) 247: bond ( -1.004, 29.140, -67.460) ( -1.003, 29.145, -67.436) ( 0.03, 0.02, 0.03) 247: angle ( 7.515, -13.544, -5.964) ( 7.518, -13.541, -5.964) ( 0.04, 0.02, 0.01) 247: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: vdw ( 1.405, 1.320, 1.344) ( 1.405, 1.320, 1.344) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 57 ( 26.171, -61.282, -57.916) ( 26.175, -61.262, -57.905) ( 0.02, 0.03, 0.02) 247: bond ( 4.936, -71.331, -49.618) ( 4.937, -71.313, -49.608) ( 0.01, 0.03, 0.02) 247: angle ( 21.633, 10.213, -12.532) ( 21.637, 10.214, -12.530) ( 0.02, 0.01, 0.01) 247: torsion ( 1.202, -0.052, 0.194) ( 1.202, -0.052, 0.194) ( 0.01, 0.00, 0.00) 247: vdw ( -1.601, -0.112, 4.039) ( -1.601, -0.112, 4.039) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 58 ( 76.270, 22.941, -23.323) ( 76.292, 22.950, -23.319) ( 0.03, 0.04, 0.02) 247: bond ( 71.291, 39.669, -8.011) ( 71.312, 39.676, -8.010) ( 0.03, 0.02, 0.01) 247: angle ( 7.268, -17.136, -20.161) ( 7.269, -17.134, -20.158) ( 0.01, 0.01, 0.02) 247: torsion ( 0.113, -0.215, -0.061) ( 0.113, -0.215, -0.061) ( 0.00, 0.00, 0.00) 247: vdw ( -2.401, 0.624, 4.911) ( -2.401, 0.624, 4.911) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 59 (-63.192, -63.428, 16.181) (-63.170, -63.418, 16.184) ( 0.03, 0.02, 0.02) 247: bond (-78.176, -47.083, 7.956) (-78.155, -47.075, 7.957) ( 0.03, 0.02, 0.01) 247: angle ( 13.238, -20.310, 9.894) ( 13.239, -20.308, 9.897) ( 0.01, 0.01, 0.03) 247: torsion ( -0.006, -0.084, -0.554) ( -0.006, -0.083, -0.554) ( 0.00, 0.00, 0.01) 247: vdw ( 1.752, 4.048, -1.116) ( 1.752, 4.048, -1.116) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 60 ( 51.337, -71.320, 31.040) ( 51.354, -71.307, 31.045) ( 0.03, 0.02, 0.02) 247: bond ( 69.756, -57.600, 27.076) ( 69.771, -57.589, 27.078) ( 0.02, 0.02, 0.01) 247: angle (-15.014, -15.981, 4.697) (-15.013, -15.979, 4.699) ( 0.01, 0.01, 0.05) 247: torsion ( -2.419, -2.372, 1.187) ( -2.419, -2.372, 1.187) ( 0.01, 0.01, 0.01) 247: vdw ( -0.986, 4.632, -1.920) ( -0.986, 4.633, -1.920) ( 0.00, 0.00, 0.01) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 61 ( -9.231, 4.667, 82.357) ( -9.227, 4.672, 82.383) ( 0.05, 0.12, 0.03) 247: bond ( -7.198, -23.032, 75.880) ( -7.197, -23.029, 75.906) ( 0.01, 0.01, 0.03) 247: angle ( -4.131, 30.637, 8.904) ( -4.128, 30.641, 8.905) ( 0.09, 0.01, 0.00) 247: torsion ( 1.717, -0.060, 0.145) ( 1.717, -0.060, 0.145) ( 0.01, 0.00, 0.00) 247: vdw ( 0.381, -2.879, -2.572) ( 0.381, -2.879, -2.572) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 62 ( 55.671, 56.605, 11.335) ( 55.692, 56.616, 11.339) ( 0.04, 0.02, 0.04) 247: bond ( 65.302, 42.165, -5.964) ( 65.321, 42.173, -5.964) ( 0.03, 0.02, 0.01) 247: angle ( -9.206, 17.304, 21.554) ( -9.205, 17.306, 21.558) ( 0.01, 0.01, 0.02) 247: torsion ( -0.690, 0.900, -1.189) ( -0.690, 0.900, -1.189) ( 0.00, 0.00, 0.01) 247: vdw ( 0.266, -3.764, -3.067) ( 0.266, -3.764, -3.066) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: 63 (-52.640, 58.487, 10.669) (-52.622, 58.499, 10.674) ( 0.03, 0.02, 0.05) 247: bond (-57.918, 44.816, -15.152) (-57.901, 44.826, -15.150) ( 0.03, 0.02, 0.01) 247: angle ( 6.047, 18.030, 30.234) ( 6.048, 18.032, 30.238) ( 0.03, 0.01, 0.01) 247: torsion ( -1.141, -1.037, 1.293) ( -1.141, -1.037, 1.293) ( 0.00, 0.00, 0.01) 247: vdw ( 0.372, -3.322, -5.707) ( 0.372, -3.322, -5.706) ( 0.00, 0.00, 0.00) 247: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 247: ok 36 # gradients 247: 1..36 243/333 Test #247: origtest_ffghemical_1 ............................................................................... Passed 5.27 sec test 249 Start 249: origtest_ffmmff94_2 249: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffmmff94" "2" 249: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 249: Environment variables: 249: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 249: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 249: Test timeout computed to be: 1500 249: # Testing MMFF94 Force Field... 249: ok 1 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : cudpas.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 16: OK 16: Testing gen3D(3): OC[C@@H]([C@H](S)CC)C 14: OK 14: Testing gen3D(3): [C@@H]([C@H](C(=O)O)O)(C(=O)O)O 248: 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85) 248: bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) 248: angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) 248: strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) 248: torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) 248: oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) 248: vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) 248: electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00) 248: 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52) 248: bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) 248: angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) 248: strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) 248: torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) 248: oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) 248: vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) 248: electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00) 248: 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25) 248: bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) 248: angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) 248: strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) 248: torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) 248: oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) 248: vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) 248: electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00) 248: 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29) 248: bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) 248: angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) 248: strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) 248: torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) 248: oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) 248: vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) 248: electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00) 248: 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75) 248: bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) 248: angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) 248: strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) 248: torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) 248: oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) 248: vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) 248: electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00) 248: 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13) 248: bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) 248: angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) 248: strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) 249: 1 ( 0.007, -0.034, -0.015) ( 0.020, -0.030, -0.011) ( 0.01, 0.01, 0.01) 249: bond ( -0.627, 15.886, -4.916) ( -0.627, 15.888, -4.911) ( 0.02, 0.01, 0.10) 249: angle ( 0.285, -5.925, 1.613) ( 0.285, -5.923, 1.613) ( 0.00, 0.03, 0.02) 249: strbnd ( 0.281, -0.139, 0.833) ( 0.281, -0.139, 0.834) ( 0.00, 0.00, 0.06) 249: torsion ( 1.474, -0.034, -0.301) ( 1.475, -0.034, -0.301) ( 0.05, 0.00, 0.00) 249: oop ( -0.070, 0.000, 0.013) ( -0.058, 0.000, 0.010) ( 0.08, 0.00, 0.00) 249: vdw ( 0.215, -8.567, 1.182) ( 0.215, -8.567, 1.182) ( 0.00, 0.00, 0.00) 249: electro ( -1.551, -1.255, 1.561) ( -1.551, -1.255, 1.561) ( 0.00, 0.00, 0.00) 249: 2 ( 0.000, 0.058, 0.027) ( 0.024, 0.065, 0.030) ( 0.00, 0.04, 0.01) 249: bond ( -2.164, -2.951, -9.934) ( -2.163, -2.945, -9.929) ( 0.01, 0.20, 0.05) 249: angle ( -0.734, 3.034, -3.472) ( -0.734, 3.036, -3.470) ( 0.01, 0.06, 0.05) 249: strbnd ( -0.457, 4.090, -1.781) ( -0.457, 4.089, -1.781) ( 0.00, 0.01, 0.01) 249: torsion ( -0.364, 0.018, 0.072) ( -0.363, 0.018, 0.072) ( 0.04, 0.00, 0.00) 249: oop ( -0.132, -0.000, 0.028) ( -0.109, -0.000, 0.023) ( 0.29, 0.00, 0.01) 249: vdw ( 2.945, -6.240, 14.926) ( 2.945, -6.240, 14.926) ( 0.00, 0.00, 0.00) 249: electro ( 0.905, 2.108, 0.188) ( 0.905, 2.108, 0.188) ( 0.00, 0.00, 0.00) 249: 3 ( -0.013, -0.134, -0.004) ( -0.081, -0.127, 0.017) ( 0.09, 0.09, 0.01) 249: bond ( -2.856, 1.520, -14.141) ( -2.856, 1.526, -14.136) ( 0.01, 0.37, 0.04) 249: angle ( 0.155, 3.466, 1.738) ( 0.155, 3.468, 1.740) ( 0.00, 0.05, 0.09) 249: strbnd ( -0.578, -2.580, -2.569) ( -0.578, -2.580, -2.569) ( 0.00, 0.01, 0.00) 249: torsion ( 5.075, 0.158, -0.979) ( 5.077, 0.158, -0.979) ( 0.02, 0.00, 0.00) 249: oop ( 0.439, 0.006, -0.089) ( 0.369, 0.005, -0.074) ( 3.06, 0.00, 0.13) 249: vdw ( -0.451, 3.238, 15.457) ( -0.451, 3.238, 15.457) ( 0.00, 0.01, 0.00) 249: electro ( -1.798, -5.942, 0.580) ( -1.798, -5.942, 0.580) ( 0.00, 0.00, 0.00) 249: 4 ( 0.002, 0.065, -0.009) ( 0.146, 0.078, 0.012) ( 0.03, 0.08, 0.02) 249: bond ( 0.739, -9.087, 3.961) ( 0.739, -9.082, 3.966) ( 0.03, 0.05, 0.13) 249: angle ( 9.507, 2.833, 4.739) ( 9.507, 2.835, 4.740) ( 0.00, 0.07, 0.03) 249: strbnd ( -2.902, 7.782, -9.865) ( -2.902, 7.782, -9.865) ( 0.01, 0.00, 0.00) 249: torsion ( -1.466, -0.116, 0.262) ( -1.465, -0.116, 0.263) ( 0.07, 0.00, 0.00) 249: oop ( -0.861, -0.029, 0.012) ( -0.719, -0.023, 0.026) (12.21, 0.02, 0.02) 249: vdw ( -5.002, -2.445, -0.447) ( -5.002, -2.445, -0.447) ( 0.00, 0.01, 0.00) 249: electro ( -0.012, 1.128, 1.328) ( -0.012, 1.127, 1.328) ( 0.00, 0.00, 0.00) 249: 5 ( 0.005, -0.046, 0.001) ( -0.130, -0.039, 0.034) ( 0.07, 0.03, 0.00) 249: bond ( 3.837, -3.968, 21.878) ( 3.837, -3.963, 21.884) ( 0.01, 0.13, 0.03) 249: angle ( 0.847, -10.923, 3.951) ( 0.847, -10.921, 3.952) ( 0.01, 0.02, 0.05) 249: strbnd ( -1.746, 12.103, -11.050) ( -1.746, 12.103, -11.050) ( 0.01, 0.00, 0.01) 249: torsion ( -3.129, -0.067, 0.763) ( -3.128, -0.067, 0.763) ( 0.04, 0.00, 0.00) 249: oop ( 0.796, 0.002, -0.144) ( 0.659, 0.002, -0.119) (10.87, 0.00, 0.36) 249: vdw ( -1.003, 0.572, -15.165) ( -1.003, 0.573, -15.165) ( 0.00, 0.01, 0.00) 249: electro ( 0.403, 2.234, -0.231) ( 0.403, 2.234, -0.231) ( 0.00, 0.00, 0.00) 249: 6 ( -0.014, 0.019, -0.059) ( -0.034, 0.026, -0.048) ( 0.03, 0.01, 0.07) 249: bond ( 2.360, 2.726, 12.251) ( 2.360, 2.732, 12.256) ( 0.01, 0.21, 0.04) 249: angle ( -0.066, 1.649, -0.869) ( -0.066, 1.650, -0.868) ( 0.00, 0.11, 0.16) 249: strbnd ( 0.208, 6.438, 1.157) ( 0.208, 6.438, 1.157) ( 0.00, 0.01, 0.00) 248: torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) 248: oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) 248: vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) 248: electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00) 248: 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51) 248: bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) 248: angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) 248: strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) 248: torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) 248: oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) 248: vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) 248: electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00) 248: 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93) 248: bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) 248: angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) 248: strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) 248: torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) 248: oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) 248: vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) 248: electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00) 248: 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02) 248: bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) 248: angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) 248: strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) 248: torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) 248: electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00) 248: 10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31) 248: bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) 248: angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) 248: strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) 248: torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) 248: oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) 248: vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) 248: electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00) 248: 11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19) 248: bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) 248: angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) 248: strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) 248: torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) 248: oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) 248: vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) 248: electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00) 248: 12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51) 249: torsion ( -0.540, 0.017, 0.090) ( -0.539, 0.017, 0.090) ( 0.06, 0.00, 0.00) 249: oop ( 0.087, -0.000, -0.019) ( 0.064, -0.000, -0.014) ( 0.19, 0.00, 0.01) 249: vdw ( -2.723, -10.804, -13.580) ( -2.723, -10.804, -13.580) ( 0.00, 0.00, 0.00) 249: electro ( 0.661, -0.008, 0.910) ( 0.661, -0.008, 0.910) ( 0.00, 0.00, 0.00) 249: 7 ( -0.000, -0.025, 0.003) ( 0.044, -0.019, -0.000) ( 0.00, 0.02, 0.00) 249: bond ( -0.276, 9.120, -8.956) ( -0.276, 9.125, -8.952) ( 0.01, 0.06, 0.04) 249: angle ( -2.902, 6.048, -7.259) ( -2.902, 6.049, -7.258) ( 0.00, 0.01, 0.01) 249: strbnd ( 4.031, -4.453, 22.176) ( 4.031, -4.453, 22.175) ( 0.00, 0.00, 0.00) 249: torsion ( 0.760, -0.466, -0.265) ( 0.760, -0.466, -0.265) ( 0.02, 0.00, 0.00) 249: oop ( -0.230, 0.002, 0.039) ( -0.186, 0.002, 0.031) ( 1.01, 0.00, 0.03) 249: vdw ( 1.328, -4.801, -4.259) ( 1.328, -4.800, -4.259) ( 0.00, 0.00, 0.00) 249: electro ( -2.711, -5.475, -1.472) ( -2.711, -5.475, -1.472) ( 0.00, 0.00, 0.00) 249: 8 ( -0.053, 0.027, -0.033) ( -0.216, -0.497, -0.226) ( 0.87, 1.39, 0.64) 249: bond ( -3.938, 9.942, -2.316) ( -3.934, 9.949, -2.315) ( 0.12, 0.07, 0.05) 249: angle ( -3.540, -17.066, -4.696) ( -3.538, -17.064, -4.695) ( 0.04, 0.01, 0.02) 249: strbnd ( 4.437, -1.012, 2.201) ( 4.437, -1.013, 2.201) ( 0.01, 0.09, 0.00) 249: torsion ( 2.311, -0.228, -0.758) ( 2.312, -0.228, -0.757) ( 0.01, 0.00, 0.04) 249: oop ( 1.408, 4.166, 1.238) ( 1.240, 3.633, 1.042) (11.95, 12.78, 15.83) 249: vdw ( -0.128, 4.264, 1.509) ( -0.128, 4.264, 1.509) ( 0.00, 0.00, 0.01) 249: electro ( -0.604, -0.039, 2.789) ( -0.604, -0.039, 2.789) ( 0.00, 0.00, 0.00) 249: 9 ( 0.038, -0.049, 0.024) ( 0.022, -0.042, 0.070) ( 0.06, 0.04, 0.11) 249: bond ( -6.811, -11.830, -2.866) ( -6.806, -11.826, -2.865) ( 0.08, 0.03, 0.04) 249: angle ( -5.541, 23.308, -2.368) ( -5.540, 23.310, -2.368) ( 0.01, 0.01, 0.01) 249: strbnd ( -9.346, -15.538, -3.964) ( -9.346, -15.538, -3.964) ( 0.00, 0.00, 0.00) 249: torsion ( -0.130, 0.142, -0.104) ( -0.130, 0.142, -0.103) ( 0.00, 0.00, 0.01) 249: oop ( 0.089, -0.009, -0.185) ( 0.068, -0.007, -0.140) ( 0.19, 0.00, 0.82) 249: vdw ( 4.010, 3.065, 1.034) ( 4.010, 3.065, 1.034) ( 0.00, 0.00, 0.00) 249: electro ( 17.767, 0.813, 8.478) ( 17.767, 0.813, 8.478) ( 0.00, 0.00, 0.00) 249: 10 ( -0.019, 0.024, -0.011) ( -0.016, 0.025, -0.010) ( 0.01, 0.00, 0.00) 249: bond ( -2.271, 0.707, -0.996) ( -2.268, 0.707, -0.996) ( 0.12, 0.02, 0.05) 249: angle ( -3.799, -14.334, -1.531) ( -3.799, -14.334, -1.531) ( 0.00, 0.00, 0.00) 249: strbnd ( -3.911, 0.756, -1.713) ( -3.911, 0.756, -1.713) ( 0.00, 0.01, 0.00) 249: torsion ( -1.084, 0.022, 2.483) ( -1.084, 0.022, 2.483) ( 0.00, 0.00, 0.01) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 12.753, 14.661, 1.096) ( 12.753, 14.662, 1.096) ( 0.00, 0.00, 0.00) 249: electro ( -1.708, -1.788, 0.651) ( -1.708, -1.788, 0.651) ( 0.00, 0.00, 0.00) 249: 11 ( 0.015, -0.026, 0.001) ( 0.771, 2.628, 0.451) ( 1.12, 6.89, 0.06) 249: bond ( 3.189, -2.270, -2.910) ( 3.195, -2.269, -2.901) ( 0.19, 0.03, 0.31) 249: angle (-10.982, 12.274, -10.144) (-10.980, 12.275, -10.142) ( 0.02, 0.01, 0.02) 249: strbnd ( 9.932, -4.142, 5.975) ( 9.932, -4.142, 5.974) ( 0.01, 0.00, 0.01) 249: torsion ( 1.366, 0.855, -1.969) ( 1.366, 0.855, -1.969) ( 0.00, 0.01, 0.00) 249: oop ( -4.523, -15.083, -2.694) ( -3.775, -12.431, -2.255) (16.55, 17.58, 16.29) 249: vdw ( -4.277, 7.452, 2.371) ( -4.277, 7.452, 2.371) ( 0.00, 0.00, 0.00) 249: electro ( 5.310, 0.888, 9.373) ( 5.310, 0.888, 9.373) ( 0.00, 0.00, 0.00) 249: 12 ( -0.011, 0.000, 0.007) ( -0.290, -1.084, -0.175) ( 0.29, 0.02, 0.14) 248: bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) 248: angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) 248: strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) 248: torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) 248: oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) 248: vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) 248: electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00) 248: 13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32) 248: bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) 248: angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) 248: strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) 248: torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) 248: oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) 248: electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00) 248: 14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04) 248: bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) 248: angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) 248: strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) 248: torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) 248: oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) 248: vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) 248: electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00) 248: 15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03) 248: bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) 248: angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) 248: strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) 248: torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) 248: oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 248: vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) 248: electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00) 248: 16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13) 248: bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) 248: angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) 248: strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) 248: torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) 248: oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) 248: vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) 248: electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00) 248: 17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58) 248: bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) 248: angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) 248: strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) 248: torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) 248: oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) 249: bond ( 10.583, -1.441, -7.782) ( 10.587, -1.441, -7.780) ( 0.04, 0.01, 0.03) 249: angle ( 6.221, -3.313, 9.078) ( 6.221, -3.312, 9.079) ( 0.01, 0.00, 0.01) 249: strbnd ( 0.003, -0.237, 0.497) ( 0.003, -0.237, 0.497) ( 0.00, 0.00, 0.00) 249: torsion ( -0.228, -0.717, -0.178) ( -0.228, -0.717, -0.178) ( 0.00, 0.00, 0.00) 249: oop ( 1.512, 5.503, 1.038) ( 1.228, 4.419, 0.853) (18.78, 19.70, 17.87) 249: vdw ( -3.491, 1.297, -0.137) ( -3.491, 1.297, -0.137) ( 0.00, 0.00, 0.00) 249: electro (-14.610, -1.093, -2.508) (-14.609, -1.093, -2.508) ( 0.00, 0.00, 0.00) 249: 13 ( -0.004, 0.006, -0.028) ( -0.292, -1.034, -0.161) ( 0.12, 0.58, 0.38) 249: bond ( -0.347, -2.236, 17.411) ( -0.347, -2.236, 17.418) ( 0.00, 0.01, 0.04) 249: angle ( 8.341, -2.202, -0.117) ( 8.342, -2.202, -0.117) ( 0.01, 0.01, 0.00) 249: strbnd ( 0.537, -0.164, -1.098) ( 0.537, -0.164, -1.098) ( 0.00, 0.00, 0.00) 249: torsion ( 0.007, 0.019, 0.003) ( 0.007, 0.019, 0.003) ( 0.00, 0.00, 0.00) 249: oop ( 1.643, 5.440, 0.731) ( 1.355, 4.400, 0.592) (17.57, 19.11, 10.18) 249: vdw ( -4.303, 6.079, -2.483) ( -4.303, 6.079, -2.483) ( 0.00, 0.00, 0.00) 249: electro ( -5.883, -6.929, -14.476) ( -5.883, -6.929, -14.476) ( 0.00, 0.00, 0.00) 249: 14 ( -0.006, 0.009, -0.025) ( -0.009, 0.010, -0.021) ( 0.00, 0.00, 0.01) 249: bond ( -0.262, 0.572, -1.210) ( -0.262, 0.573, -1.207) ( 0.00, 0.04, 0.25) 249: angle ( 0.025, 0.262, 0.119) ( 0.025, 0.263, 0.119) ( 0.00, 0.02, 0.00) 249: strbnd ( -0.068, -0.555, -0.311) ( -0.068, -0.555, -0.311) ( 0.00, 0.00, 0.00) 249: torsion ( -0.529, -0.000, 0.115) ( -0.529, -0.000, 0.115) ( 0.01, 0.00, 0.00) 249: oop ( 0.026, 0.000, -0.006) ( 0.022, 0.000, -0.005) ( 0.01, 0.00, 0.00) 249: vdw ( 0.090, -0.573, 0.418) ( 0.090, -0.573, 0.418) ( 0.00, 0.00, 0.00) 249: electro ( 0.711, 0.304, 0.851) ( 0.711, 0.304, 0.851) ( 0.00, 0.00, 0.00) 249: 15 ( 0.011, 0.025, 0.020) ( 0.026, 0.027, 0.019) ( 0.02, 0.00, 0.00) 249: bond ( -0.317, -1.110, -1.455) ( -0.317, -1.109, -1.453) ( 0.00, 0.12, 0.16) 249: angle ( 0.046, -0.282, 0.205) ( 0.046, -0.282, 0.205) ( 0.00, 0.01, 0.00) 249: strbnd ( -0.095, 0.271, -0.498) ( -0.095, 0.271, -0.498) ( 0.00, 0.00, 0.00) 249: torsion ( -1.381, 0.015, 0.290) ( -1.380, 0.015, 0.290) ( 0.02, 0.00, 0.00) 249: oop ( -0.079, 0.000, 0.017) ( -0.065, 0.000, 0.014) ( 0.11, 0.00, 0.01) 249: vdw ( -0.910, -2.950, 3.814) ( -0.910, -2.950, 3.814) ( 0.00, 0.00, 0.00) 249: electro ( 2.748, 4.081, -2.353) ( 2.748, 4.081, -2.353) ( 0.00, 0.00, 0.00) 249: 16 ( -0.000, -0.001, 0.020) ( 0.015, 0.001, 0.020) ( 0.00, 0.00, 0.00) 249: bond ( 0.218, 1.033, 1.174) ( 0.219, 1.034, 1.176) ( 0.00, 0.16, 0.18) 249: angle ( -0.076, 0.463, -0.393) ( -0.076, 0.463, -0.393) ( 0.00, 0.02, 0.01) 249: strbnd ( 0.016, -0.834, 0.057) ( 0.016, -0.834, 0.057) ( 0.00, 0.00, 0.00) 249: torsion ( -0.089, -0.002, 0.018) ( -0.089, -0.002, 0.018) ( 0.00, 0.00, 0.00) 249: oop ( -0.109, 0.000, 0.020) ( -0.094, 0.000, 0.017) ( 0.17, 0.00, 0.01) 249: vdw ( 0.013, -2.157, 0.235) ( 0.013, -2.157, 0.235) ( 0.00, 0.00, 0.00) 249: electro ( 0.026, 1.497, -1.090) ( 0.026, 1.496, -1.090) ( 0.00, 0.00, 0.00) 249: 17 ( -0.000, 0.006, -0.002) ( -0.000, 0.011, -0.001) ( 0.00, 0.00, 0.00) 249: bond ( -1.080, -6.670, 0.744) ( -1.080, -6.665, 0.744) ( 0.02, 0.08, 0.01) 249: angle ( 2.207, 0.691, 9.393) ( 2.207, 0.691, 9.393) ( 0.00, 0.00, 0.00) 249: strbnd ( -0.344, -1.784, -0.047) ( -0.344, -1.784, -0.047) ( 0.00, 0.00, 0.00) 249: torsion ( -2.062, 0.385, 0.456) ( -2.062, 0.385, 0.456) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.933, -2.094, -5.972) ( 0.933, -2.094, -5.971) ( 0.00, 0.00, 0.00) 249: electro ( 0.346, 9.478, -4.577) ( 0.346, 9.478, -4.577) ( 0.00, 0.00, 0.00) 249: ok 2 # gradients 249: ok 3 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : fadvub.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 248: vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) 248: electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00) 248: 18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48) 248: bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) 248: angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) 248: strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) 248: torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) 248: oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) 248: vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) 248: electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00) 248: 19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00) 248: bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) 248: angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) 248: strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) 248: torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) 248: oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) 248: vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) 248: electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00) 248: 20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94) 248: bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) 248: angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) 248: strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) 248: torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) 248: oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) 248: vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) 248: electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00) 248: 21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12) 248: bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) 248: angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) 248: strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) 248: torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) 248: oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) 248: vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) 248: electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00) 248: 22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01) 248: bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) 248: angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) 248: strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) 248: torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) 248: electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00) 248: 23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06) 248: bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) 16: OK 16: Testing gen3D(3): C[C@H]([C@@H](C(=O)O)N)O 249: 1 ( 0.032, -0.022, -0.017) ( 0.040, -0.014, -0.012) ( 0.03, 0.02, 0.01) 249: bond ( 4.193, -0.133, 4.673) ( 4.200, -0.126, 4.676) ( 0.15, 0.09, 0.07) 249: angle (-17.099, -3.471, -8.358) (-17.096, -3.469, -8.356) ( 0.01, 0.07, 0.03) 249: strbnd ( 4.695, 5.793, 5.057) ( 4.694, 5.792, 5.057) ( 0.02, 0.01, 0.01) 249: torsion ( -0.415, -0.232, 3.381) ( -0.415, -0.232, 3.381) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.119, -2.488, -2.762) ( -0.119, -2.488, -2.762) ( 0.00, 0.00, 0.00) 249: electro ( 8.777, 0.508, -2.008) ( 8.777, 0.508, -2.008) ( 0.00, 0.00, 0.00) 249: 2 ( -0.013, 0.003, 0.000) ( -0.008, 0.006, 0.001) ( 0.01, 0.00, 0.00) 249: bond ( 1.103, -0.872, 0.032) ( 1.108, -0.869, 0.032) ( 0.43, 0.26, 0.00) 249: angle ( 5.971, 7.760, 4.115) ( 5.971, 7.760, 4.115) ( 0.00, 0.01, 0.02) 249: strbnd ( -1.798, 1.228, -0.204) ( -1.798, 1.228, -0.204) ( 0.00, 0.01, 0.00) 249: torsion ( -0.240, -0.377, -1.934) ( -0.240, -0.377, -1.934) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -3.447, -0.778, -4.529) ( -3.447, -0.778, -4.529) ( 0.00, 0.00, 0.00) 249: electro ( -1.601, -6.958, 2.522) ( -1.601, -6.958, 2.522) ( 0.00, 0.00, 0.00) 249: 3 ( -0.004, 0.032, 0.024) ( -0.000, 0.037, 0.026) ( 0.00, 0.02, 0.00) 249: bond ( 2.117, 3.479, 0.356) ( 2.120, 3.484, 0.357) ( 0.15, 0.14, 0.04) 249: angle ( 5.205, 1.489, 6.637) ( 5.206, 1.489, 6.638) ( 0.02, 0.02, 0.01) 249: strbnd ( 0.649, -4.129, -1.875) ( 0.649, -4.130, -1.875) ( 0.00, 0.01, 0.01) 249: torsion ( -1.574, 1.955, -4.025) ( -1.574, 1.955, -4.025) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -1.957, -2.115, -2.420) ( -1.957, -2.115, -2.420) ( 0.00, 0.00, 0.00) 249: electro ( -4.445, -0.646, 1.351) ( -4.445, -0.646, 1.351) ( 0.00, 0.00, 0.00) 249: 4 ( 0.013, 0.008, 0.009) ( 0.018, 0.014, 0.015) ( 0.01, 0.00, 0.01) 249: bond ( -4.350, -2.902, 1.332) ( -4.346, -2.898, 1.336) ( 0.09, 0.15, 0.33) 249: angle ( 2.535, 3.636, -0.898) ( 2.537, 3.638, -0.897) ( 0.07, 0.05, 0.15) 249: strbnd ( -0.741, -1.162, 0.765) ( -0.742, -1.163, 0.764) ( 0.06, 0.04, 0.04) 249: torsion ( 0.668, -0.672, 0.545) ( 0.668, -0.672, 0.545) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.251, 0.436, -2.285) ( 0.251, 0.436, -2.285) ( 0.00, 0.00, 0.00) 249: electro ( 1.651, 0.673, 0.551) ( 1.651, 0.673, 0.551) ( 0.00, 0.00, 0.00) 249: 5 ( -0.017, -0.028, -0.024) ( -0.011, -0.023, -0.020) ( 0.01, 0.01, 0.01) 249: bond ( -5.276, 10.539, 0.735) ( -5.272, 10.543, 0.738) ( 0.08, 0.04, 0.23) 249: angle ( 5.214, -11.328, 4.079) ( 5.216, -11.326, 4.081) ( 0.04, 0.02, 0.05) 249: strbnd ( 0.208, 1.026, -1.791) ( 0.207, 1.025, -1.792) ( 0.01, 0.09, 0.06) 249: torsion ( 1.012, 1.023, -1.293) ( 1.012, 1.023, -1.293) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -3.996, -2.526, -2.331) ( -3.996, -2.526, -2.331) ( 0.00, 0.00, 0.00) 249: electro ( 2.822, 1.238, 0.577) ( 2.822, 1.238, 0.577) ( 0.00, 0.00, 0.00) 249: 6 ( 0.047, 0.015, -0.035) ( 0.053, 0.020, -0.030) ( 0.03, 0.01, 0.02) 249: bond ( 3.643, -8.573, -2.156) ( 3.647, -8.569, -2.152) ( 0.12, 0.05, 0.18) 249: angle ( -3.553, 12.963, -7.820) ( -3.551, 12.965, -7.818) ( 0.05, 0.02, 0.03) 249: strbnd ( 3.941, -0.711, 4.570) ( 3.941, -0.712, 4.569) ( 0.01, 0.05, 0.02) 14: Warning: Stereochemistry is wrong, using distance geometry instead 248: angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) 248: strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) 248: torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) 248: oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) 248: vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) 248: electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00) 248: 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) 248: bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) 248: angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) 248: strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) 248: torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) 248: bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) 248: angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) 248: strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) 248: torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) 248: bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) 248: angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) 248: strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) 248: torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) 248: bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) 248: angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) 248: strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) 248: torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) 248: bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) 248: angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) 248: strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) 248: torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) 249: torsion ( -0.466, -2.160, 2.319) ( -0.466, -2.160, 2.319) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -3.518, -1.505, 3.052) ( -3.518, -1.505, 3.052) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 7 ( 0.020, 0.062, -0.058) ( -0.071, 0.288, -0.172) ( 0.18, 1.40, 0.66) 249: bond ( 11.219, 18.634, 3.192) ( 11.222, 18.638, 3.196) ( 0.03, 0.02, 0.12) 249: angle ( -2.190, -11.744, 1.811) ( -2.188, -11.742, 1.813) ( 0.09, 0.02, 0.12) 249: strbnd ( -6.827, -7.330, -8.396) ( -6.828, -7.331, -8.397) ( 0.01, 0.01, 0.01) 249: torsion ( -2.070, 0.870, 0.194) ( -2.070, 0.870, 0.194) ( 0.00, 0.00, 0.00) 249: oop ( 1.043, -2.385, 1.346) ( 0.948, -2.164, 1.226) ( 9.15, 9.24, 8.89) 249: vdw ( -0.143, 1.896, 2.023) ( -0.143, 1.896, 2.023) ( 0.00, 0.00, 0.00) 249: electro ( -1.011, 0.120, -0.229) ( -1.011, 0.120, -0.229) ( 0.00, 0.00, 0.00) 249: 8 ( -0.037, -0.036, 0.030) ( -0.030, -0.029, 0.037) ( 0.03, 0.02, 0.02) 249: bond ( 31.436, -5.462, -8.582) ( 31.441, -5.456, -8.577) ( 0.02, 0.09, 0.06) 249: angle ( 24.318, 2.673, -13.460) ( 24.320, 2.675, -13.458) ( 0.01, 0.08, 0.02) 249: strbnd ( -3.349, 3.958, 4.185) ( -3.349, 3.958, 4.185) ( 0.01, 0.01, 0.01) 249: torsion ( 0.865, 0.668, -0.128) ( 0.865, 0.668, -0.128) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw (-15.296, -0.490, 6.181) (-15.295, -0.490, 6.182) ( 0.00, 0.00, 0.00) 249: electro (-38.012, -1.383, 11.833) (-38.012, -1.383, 11.833) ( 0.00, 0.01, 0.00) 249: 9 ( -0.084, 0.011, 0.103) ( 0.977, -2.037, 1.266) ( 8.96, 2.15, 12.00) 249: bond (-24.944, 7.709, 33.079) (-24.940, 7.712, 33.088) ( 0.01, 0.04, 0.03) 249: angle (-17.079, 0.187, 13.198) (-17.077, 0.188, 13.199) ( 0.01, 0.02, 0.01) 249: strbnd ( 11.466, -5.334, -19.281) ( 11.465, -5.335, -19.282) ( 0.01, 0.01, 0.01) 249: torsion ( 0.142, -0.694, -0.397) ( 0.142, -0.694, -0.396) ( 0.00, 0.00, 0.00) 249: oop ( -4.647, 9.685, -5.474) ( -3.590, 7.635, -4.320) (22.74, 21.18, 21.08) 249: vdw ( 6.485, -1.479, -2.117) ( 6.485, -1.479, -2.117) ( 0.00, 0.00, 0.00) 249: electro ( 28.493, -10.064, -18.905) ( 28.493, -10.064, -18.904) ( 0.00, 0.00, 0.00) 249: 10 ( 0.052, -0.027, -0.107) ( -0.475, 0.999, -0.671) ( 2.75, 2.73, 6.04) 249: bond ( 7.223, -4.901, -15.530) ( 7.224, -4.900, -15.524) ( 0.02, 0.01, 0.04) 249: angle ( -0.823, 0.087, -0.410) ( -0.822, 0.087, -0.410) ( 0.06, 0.00, 0.00) 249: strbnd ( -5.921, 2.262, 9.306) ( -5.920, 2.262, 9.306) ( 0.00, 0.00, 0.00) 249: torsion ( -0.293, 0.686, -0.353) ( -0.293, 0.686, -0.353) ( 0.00, 0.00, 0.00) 249: oop ( 1.878, -3.841, 2.086) ( 1.349, -2.816, 1.517) (28.20, 26.69, 27.32) 249: vdw ( 10.301, 3.828, 1.517) ( 10.301, 3.828, 1.517) ( 0.00, 0.00, 0.00) 249: electro (-12.313, 1.852, 3.276) (-12.313, 1.852, 3.276) ( 0.00, 0.00, 0.00) 249: 11 ( 0.001, -0.001, -0.007) ( -0.428, 0.808, -0.467) ( 0.06, 0.12, 0.34) 249: bond ( -5.364, -10.247, -12.843) ( -5.364, -10.244, -12.839) ( 0.01, 0.02, 0.03) 249: angle ( 17.615, 2.690, -9.506) ( 17.616, 2.690, -9.506) ( 0.00, 0.00, 0.00) 249: strbnd ( -0.975, 4.889, 8.707) ( -0.975, 4.889, 8.707) ( 0.01, 0.00, 0.00) 249: torsion ( 0.208, -0.464, 0.284) ( 0.208, -0.464, 0.284) ( 0.00, 0.00, 0.00) 249: oop ( 1.725, -3.462, 2.041) ( 1.294, -2.654, 1.578) (24.99, 23.32, 22.72) 249: vdw ( 20.549, 2.004, -4.094) ( 20.550, 2.004, -4.094) ( 0.00, 0.00, 0.00) 249: electro (-33.756, 4.588, 15.404) (-33.756, 4.588, 15.404) ( 0.00, 0.00, 0.00) 249: 12 ( -0.014, -0.020, -0.003) ( -0.011, -0.018, -0.003) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) 248: bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) 248: angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) 248: strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) 248: torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) 248: bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) 248: angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) 248: strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) 248: torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) 248: bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) 248: angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) 248: strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) 248: torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) 248: bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) 248: angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) 248: strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) 248: torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) 248: bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) 248: angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) 248: strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) 248: torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) 248: bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) 248: angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) 249: bond ( -2.108, -1.364, 0.667) ( -2.104, -1.362, 0.667) ( 0.15, 0.09, 0.02) 249: angle ( 1.431, -3.486, -2.605) ( 1.431, -3.486, -2.605) ( 0.00, 0.01, 0.01) 249: strbnd ( -0.286, -0.078, 0.143) ( -0.286, -0.077, 0.143) ( 0.00, 0.00, 0.00) 249: torsion ( 1.600, -1.233, 2.529) ( 1.600, -1.233, 2.529) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.031, -0.022, -0.112) ( -0.031, -0.022, -0.112) ( 0.00, 0.00, 0.00) 249: electro ( -0.620, 6.163, -0.625) ( -0.620, 6.163, -0.625) ( 0.00, 0.00, 0.00) 249: 13 ( -0.027, 0.011, -0.004) ( -0.024, 0.012, -0.004) ( 0.01, 0.00, 0.00) 249: bond ( 0.777, -0.529, 0.119) ( 0.779, -0.528, 0.119) ( 0.18, 0.06, 0.00) 249: angle ( -0.885, -1.096, 0.925) ( -0.884, -1.096, 0.926) ( 0.01, 0.03, 0.04) 249: strbnd ( -1.504, 0.684, -0.090) ( -1.504, 0.684, -0.090) ( 0.00, 0.00, 0.00) 249: torsion ( -0.038, -0.109, -0.234) ( -0.038, -0.109, -0.234) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.623, 1.061, -0.724) ( 1.623, 1.061, -0.724) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 14 ( -0.007, -0.027, -0.010) ( -0.006, -0.024, -0.009) ( 0.00, 0.01, 0.00) 249: bond ( 0.115, 1.126, 0.629) ( 0.115, 1.129, 0.630) ( 0.00, 0.23, 0.05) 249: angle ( -0.934, -0.881, 1.748) ( -0.934, -0.881, 1.748) ( 0.05, 0.01, 0.02) 249: strbnd ( -0.363, -1.245, -0.504) ( -0.363, -1.245, -0.504) ( 0.00, 0.00, 0.00) 249: torsion ( -0.233, 0.175, -0.272) ( -0.233, 0.175, -0.272) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.409, 0.798, -1.611) ( 1.409, 0.798, -1.611) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 15 ( -0.001, -0.003, -0.008) ( -0.000, -0.002, -0.004) ( 0.00, 0.00, 0.00) 249: bond ( -0.078, 0.087, -0.487) ( -0.077, 0.087, -0.484) ( 0.00, 0.00, 0.16) 249: angle ( -0.356, -1.049, -0.131) ( -0.355, -1.048, -0.131) ( 0.02, 0.04, 0.00) 249: strbnd ( -0.107, -0.325, 1.008) ( -0.107, -0.325, 1.008) ( 0.00, 0.00, 0.00) 249: torsion ( -0.227, 0.446, 0.116) ( -0.227, 0.446, 0.116) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.767, 0.838, -0.514) ( 0.767, 0.839, -0.514) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 16 ( -0.007, 0.000, 0.002) ( -0.004, 0.001, 0.003) ( 0.00, 0.00, 0.00) 249: bond ( 0.169, -0.061, 0.004) ( 0.172, -0.060, 0.004) ( 0.05, 0.00, 0.00) 249: angle ( 1.751, 5.151, 2.051) ( 1.751, 5.151, 2.052) ( 0.00, 0.01, 0.03) 249: strbnd ( -0.007, 0.573, -0.048) ( -0.007, 0.573, -0.048) ( 0.00, 0.00, 0.00) 249: torsion ( -0.110, -0.369, -0.744) ( -0.110, -0.369, -0.744) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -1.811, -5.293, -1.262) ( -1.811, -5.293, -1.262) ( 0.00, 0.00, 0.01) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 17 ( -0.003, -0.013, 0.004) ( -0.001, -0.011, 0.005) ( 0.00, 0.00, 0.00) 249: bond ( 1.206, 1.529, -0.696) ( 1.207, 1.530, -0.695) ( 0.10, 0.12, 0.03) 249: angle ( -0.729, -0.235, -1.783) ( -0.729, -0.235, -1.782) ( 0.02, 0.01, 0.03) 249: strbnd ( -0.850, -0.116, 0.251) ( -0.850, -0.116, 0.251) ( 0.00, 0.00, 0.00) 249: torsion ( 0.296, 0.197, 0.948) ( 0.296, 0.197, 0.948) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04) 248: bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) 248: angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) 248: strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) 248: torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) 248: oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) 248: electro ( 0.674, 0.126, 0.022) ( 0.674, 0.126, 0.022) ( 0.00, 0.00, 0.00) 248: 36 ( -1.808, 0.308, -0.348) ( -1.805, 0.309, -0.348) ( 0.20, 0.02, 0.00) 248: bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) 248: angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) 248: strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) 248: torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) 248: electro ( 0.777, -0.150, 0.089) ( 0.777, -0.150, 0.089) ( 0.00, 0.00, 0.00) 248: 37 ( -1.444, 1.619, -0.423) ( -1.443, 1.622, -0.422) ( 0.07, 0.20, 0.08) 248: bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) 248: angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) 248: strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 248: oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) 248: vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) 248: electro ( -0.014, -0.594, 0.068) ( -0.014, -0.594, 0.068) ( 0.00, 0.00, 0.00) 248: 38 ( 0.288, 1.218, -0.020) ( 0.290, 1.221, -0.017) ( 0.05, 0.25, 0.01) 248: bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) 248: angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) 248: strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) 248: torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) 248: oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) 248: electro ( -1.298, 1.817, -0.456) ( -1.298, 1.817, -0.456) ( 0.00, 0.00, 0.00) 248: 39 ( 4.199, -12.580, 1.746) ( 4.207, -12.584, 1.687) ( 0.18, 0.03, 3.36) 248: bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) 248: angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) 248: strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) 248: torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) 248: oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) 248: vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) 248: electro ( -6.258, 3.484, -0.293) ( -6.258, 3.484, -0.293) ( 0.00, 0.00, 0.00) 248: ok 2 # gradients 248: ok 3 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 16: Warning: Stereochemistry is wrong, using distance geometry instead 249: vdw ( 0.074, -1.387, 1.283) ( 0.074, -1.387, 1.284) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 18 ( -0.002, -0.011, 0.015) ( -0.001, -0.009, 0.017) ( 0.00, 0.00, 0.00) 249: bond ( -0.434, -2.155, 1.394) ( -0.434, -2.153, 1.395) ( 0.00, 0.11, 0.07) 249: angle ( 1.665, -1.741, -2.169) ( 1.666, -1.741, -2.169) ( 0.03, 0.01, 0.02) 249: strbnd ( 0.479, 0.577, -0.839) ( 0.479, 0.577, -0.839) ( 0.00, 0.00, 0.00) 249: torsion ( 0.578, -0.321, -0.316) ( 0.578, -0.321, -0.316) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -2.290, 3.630, 1.944) ( -2.290, 3.630, 1.945) ( 0.00, 0.00, 0.01) 249: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 19 ( -0.048, -0.003, 0.010) ( -0.045, -0.002, 0.010) ( 0.02, 0.00, 0.00) 249: bond ( 3.011, -0.074, -0.795) ( 3.014, -0.074, -0.795) ( 0.10, 0.00, 0.02) 249: angle ( 0.861, 0.161, 3.246) ( 0.861, 0.162, 3.247) ( 0.00, 0.01, 0.02) 249: strbnd ( -1.180, -0.479, 0.265) ( -1.180, -0.479, 0.265) ( 0.00, 0.00, 0.00) 249: torsion ( -0.346, 0.357, -1.346) ( -0.346, 0.357, -1.346) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -2.394, 0.033, -1.359) ( -2.394, 0.033, -1.359) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 20 ( -0.003, -0.042, 0.032) ( -0.002, -0.039, 0.034) ( 0.00, 0.01, 0.00) 249: bond ( -0.042, 1.240, -0.654) ( -0.042, 1.243, -0.653) ( 0.00, 0.21, 0.05) 249: angle ( -0.781, -1.615, -3.020) ( -0.780, -1.614, -3.020) ( 0.04, 0.01, 0.02) 249: strbnd ( -0.130, 0.941, 1.010) ( -0.130, 0.941, 1.010) ( 0.00, 0.00, 0.00) 249: torsion ( 0.609, 0.345, 0.616) ( 0.609, 0.345, 0.616) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.342, -0.953, 2.080) ( 0.342, -0.953, 2.080) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 21 ( 0.012, 0.012, -0.003) ( 0.014, 0.013, -0.002) ( 0.00, 0.00, 0.00) 249: bond (-16.919, -7.195, -8.595) (-16.917, -7.195, -8.594) ( 0.02, 0.01, 0.01) 249: angle ( -8.625, 3.959, 13.661) ( -8.625, 3.959, 13.662) ( 0.00, 0.01, 0.00) 249: strbnd ( 0.614, -0.231, -0.297) ( 0.614, -0.231, -0.297) ( 0.00, 0.00, 0.00) 249: torsion ( -0.035, -0.717, 0.668) ( -0.035, -0.717, 0.668) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -6.207, 2.647, 6.206) ( -6.207, 2.647, 6.206) ( 0.00, 0.00, 0.00) 249: electro ( 31.183, 1.549, -11.648) ( 31.183, 1.549, -11.648) ( 0.00, 0.01, 0.00) 249: 22 ( 0.006, 0.001, -0.013) ( 0.008, 0.003, -0.011) ( 0.00, 0.00, 0.00) 249: bond ( -4.934, -3.520, 6.017) ( -4.932, -3.519, 6.019) ( 0.03, 0.02, 0.04) 249: angle ( -3.213, 0.593, -2.286) ( -3.213, 0.593, -2.286) ( 0.01, 0.03, 0.01) 249: strbnd ( 1.267, -0.292, -1.268) ( 1.267, -0.292, -1.268) ( 0.00, 0.00, 0.00) 249: torsion ( -0.847, 0.124, -0.622) ( -0.847, 0.124, -0.622) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.353, 0.460, 0.417) ( -0.353, 0.460, 0.417) ( 0.00, 0.00, 0.00) 249: electro ( 8.086, 2.636, -2.271) ( 8.086, 2.636, -2.271) ( 0.00, 0.00, 0.00) 249: 23 ( 0.007, 0.003, -0.009) ( 0.008, 0.006, -0.008) ( 0.00, 0.00, 0.00) 249: bond ( -1.822, 3.586, -1.944) ( -1.821, 3.589, -1.943) ( 0.04, 0.08, 0.04) 249: angle (-10.320, -4.719, 0.955) (-10.319, -4.719, 0.956) ( 0.01, 0.00, 0.04) 249: strbnd ( 0.722, -0.493, -0.668) ( 0.722, -0.493, -0.668) ( 0.00, 0.00, 0.00) 249: torsion ( 0.917, 0.500, 0.064) ( 0.917, 0.500, 0.064) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.240, 1.405, 1.413) ( -0.240, 1.405, 1.413) ( 0.00, 0.00, 0.00) 249: electro ( 10.749, -0.275, 0.171) ( 10.749, -0.275, 0.171) ( 0.00, 0.00, 0.00) 249: ok 4 # gradients 249: ok 5 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : fiybiy.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 248: 1 ( 0.018, -0.341, -0.002) ( 0.027, -0.334, -0.000) ( 0.02, 0.23, 0.00) 248: bond ( 5.237, 0.172, 1.390) ( 5.245, 0.178, 1.391) ( 0.15, 0.09, 0.04) 248: angle ( -3.469, 1.277, -0.875) ( -3.468, 1.279, -0.875) ( 0.03, 0.14, 0.01) 248: strbnd ( 1.478, 0.534, 0.407) ( 1.477, 0.533, 0.407) ( 0.04, 0.03, 0.00) 248: torsion ( -0.001, -0.000, 0.002) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.604, -0.435, -0.173) ( -0.604, -0.435, -0.173) ( 0.00, 0.00, 0.00) 248: electro ( -2.623, -1.889, -0.753) ( -2.623, -1.889, -0.753) ( 0.00, 0.00, 0.00) 248: 2 ( -0.035, 0.614, -0.000) ( -0.026, 0.621, 0.002) ( 0.03, 0.42, 0.00) 248: bond ( -4.097, 4.193, -0.946) ( -4.089, 4.199, -0.946) ( 0.20, 0.13, 0.06) 248: angle ( 6.070, -3.235, 1.494) ( 6.071, -3.233, 1.494) ( 0.02, 0.06, 0.02) 248: strbnd ( -2.009, -0.344, -0.542) ( -2.010, -0.344, -0.542) ( 0.03, 0.02, 0.00) 248: torsion ( 0.001, 0.000, -0.005) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( 0.063, 0.140, 0.024) ( 0.065, 0.142, 0.025) ( 0.01, 0.04, 0.00) 248: bond ( 1.119, 1.704, 0.350) ( 1.120, 1.706, 0.350) ( 0.10, 0.15, 0.00) 248: angle ( 1.146, -0.809, 0.277) ( 1.146, -0.809, 0.277) ( 0.03, 0.02, 0.00) 248: strbnd ( -0.382, -0.759, -0.125) ( -0.382, -0.759, -0.125) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, -0.000, 0.003) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.717, -0.020, -0.190) ( -0.717, -0.020, -0.190) ( 0.00, 0.00, 0.00) 248: electro ( -1.101, 0.024, -0.290) ( -1.101, 0.024, -0.290) ( 0.00, 0.00, 0.00) 248: 4 ( -0.062, 0.129, -0.016) ( -0.061, 0.132, -0.016) ( 0.01, 0.04, 0.00) 248: bond ( 1.259, -2.407, 0.256) ( 1.260, -2.404, 0.256) ( 0.06, 0.12, 0.00) 248: angle ( 2.423, 1.342, 0.683) ( 2.423, 1.343, 0.683) ( 0.02, 0.01, 0.00) 248: strbnd ( -0.083, 0.405, -0.009) ( -0.083, 0.405, -0.009) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, 0.000, -0.004) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.868, -0.122, -0.761) ( -2.868, -0.122, -0.761) ( 0.00, 0.00, 0.00) 248: electro ( -0.793, 0.911, -0.180) ( -0.793, 0.911, -0.180) ( 0.00, 0.00, 0.00) 248: 5 ( 0.040, -0.110, 0.006) ( 0.041, -0.107, 0.006) ( 0.01, 0.03, 0.00) 248: bond ( -0.396, 0.799, -0.079) ( -0.395, 0.802, -0.079) ( 0.03, 0.24, 0.00) 248: angle ( -2.535, -1.318, -0.711) ( -2.535, -1.318, -0.711) ( 0.02, 0.01, 0.00) 248: strbnd ( 0.514, -0.809, 0.110) ( 0.514, -0.809, 0.110) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, 0.000, -0.002) ( 0.000, 0.000, -0.002) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.567, -0.187, 0.144) ( 0.567, -0.187, 0.144) ( 0.00, 0.00, 0.00) 248: electro ( 1.889, 1.405, 0.544) ( 1.889, 1.405, 0.544) ( 0.00, 0.00, 0.00) 248: 6 ( 0.390, -0.270, 0.111) ( 0.397, -0.259, 0.113) ( 0.24, 0.29, 0.02) 248: bond ( -3.396, -4.839, -1.050) ( -3.390, -4.829, -1.049) ( 0.15, 0.21, 0.05) 248: angle ( -3.250, 2.439, -0.769) ( -3.249, 2.440, -0.768) ( 0.03, 0.02, 0.06) 248: strbnd ( 0.484, 0.974, 0.159) ( 0.484, 0.974, 0.159) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, -0.000, 0.004) ( -0.001, -0.000, 0.004) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.977, 0.183, 0.792) ( 2.977, 0.183, 0.792) ( 0.00, 0.00, 0.00) 248: electro ( 3.577, 0.972, 0.975) ( 3.577, 0.972, 0.975) ( 0.00, 0.00, 0.00) 248: 7 ( -0.447, -0.202, -0.130) ( -0.443, -0.195, -0.129) ( 0.18, 0.16, 0.01) 248: bond ( 0.245, 0.341, 0.076) ( 0.249, 0.348, 0.077) ( 0.10, 0.26, 0.00) 248: angle ( -0.389, 0.299, -0.100) ( -0.389, 0.299, -0.099) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.646, 0.581, 0.189) ( 0.646, 0.581, 0.189) ( 0.00, 0.00, 0.00) 248: electro ( -0.949, -1.423, -0.296) ( -0.949, -1.423, -0.296) ( 0.00, 0.00, 0.00) 248: ok 4 # gradients 248: ok 5 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 249: 1 ( -0.037, 0.000, -0.051) ( -0.039, 0.006, -0.047) ( 0.01, 0.00, 0.02) 249: bond ( 7.810, -1.840, 7.980) ( 7.815, -1.832, 7.984) ( 0.05, 0.48, 0.05) 249: angle ( -4.687, -2.600, -7.659) ( -4.685, -2.598, -7.656) ( 0.05, 0.09, 0.03) 249: strbnd ( 1.520, -7.648, 19.637) ( 1.519, -7.649, 19.636) ( 0.05, 0.01, 0.00) 249: torsion ( 0.281, -0.182, -0.226) ( 0.281, -0.182, -0.226) ( 0.00, 0.00, 0.00) 249: oop ( 0.047, 0.028, 0.008) ( 0.040, 0.024, 0.006) ( 0.04, 0.01, 0.00) 249: vdw ( -0.861, -7.381, 0.991) ( -0.861, -7.381, 0.991) ( 0.00, 0.00, 0.01) 249: electro ( -4.147, 19.624, -20.782) ( -4.147, 19.624, -20.782) ( 0.00, 0.00, 0.00) 249: 2 ( 0.015, -0.021, -0.013) ( 0.016, -0.015, -0.011) ( 0.00, 0.01, 0.00) 249: bond ( 0.188, -1.235, -0.576) ( 0.188, -1.229, -0.574) ( 0.00, 0.51, 0.08) 249: angle ( 2.833, -2.246, 5.734) ( 2.833, -2.246, 5.734) ( 0.02, 0.01, 0.01) 249: strbnd ( 0.058, -0.206, 0.531) ( 0.058, -0.206, 0.531) ( 0.00, 0.00, 0.00) 249: torsion ( -0.582, -0.145, 0.120) ( -0.582, -0.145, 0.120) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -2.490, -0.763, -6.600) ( -2.490, -0.763, -6.600) ( 0.00, 0.00, 0.00) 249: electro ( 0.009, 4.575, 0.778) ( 0.009, 4.575, 0.778) ( 0.00, 0.00, 0.00) 249: 3 ( -0.083, 0.019, -0.119) ( -0.123, 0.094, -0.069) ( 0.34, 0.14, 0.60) 249: bond ( -1.055, 0.134, -1.295) ( -1.051, 0.134, -1.289) ( 0.35, 0.00, 0.43) 249: angle ( -0.395, -0.549, 0.265) ( -0.395, -0.548, 0.265) ( 0.02, 0.03, 0.01) 249: strbnd ( -4.612, 1.446, -7.083) ( -4.612, 1.446, -7.083) ( 0.00, 0.00, 0.00) 249: torsion ( -0.187, 0.312, 0.185) ( -0.187, 0.312, 0.185) ( 0.00, 0.00, 0.00) 249: oop ( 0.225, -0.371, -0.222) ( 0.180, -0.296, -0.178) ( 1.01, 2.75, 0.99) 249: vdw ( -0.123, 0.138, -0.190) ( -0.123, 0.138, -0.190) ( 0.00, 0.00, 0.00) 249: electro ( 6.064, -1.092, 8.221) ( 6.064, -1.092, 8.221) ( 0.00, 0.00, 0.00) 249: 4 ( -0.072, -0.017, -0.030) ( -0.094, 0.028, -0.000) ( 0.16, 0.08, 0.09) 249: bond ( -0.836, -8.517, 13.382) ( -0.832, -8.516, 13.384) ( 0.33, 0.01, 0.02) 249: angle ( 7.130, 8.296, -11.537) ( 7.131, 8.297, -11.535) ( 0.00, 0.01, 0.01) 249: strbnd ( -2.982, -0.215, -2.921) ( -2.982, -0.215, -2.921) ( 0.00, 0.00, 0.01) 249: torsion ( 0.423, 0.846, -0.211) ( 0.423, 0.846, -0.211) ( 0.00, 0.01, 0.00) 249: oop ( 0.186, -0.302, -0.180) ( 0.159, -0.259, -0.154) ( 0.49, 1.29, 0.46) 249: vdw ( -2.535, 5.528, -3.997) ( -2.535, 5.528, -3.997) ( 0.00, 0.00, 0.00) 249: electro ( -1.458, -5.655, 5.433) ( -1.458, -5.655, 5.433) ( 0.00, 0.00, 0.00) 249: 5 ( 0.010, 0.036, -0.046) ( -0.018, 0.093, -0.011) ( 0.03, 0.20, 0.16) 249: bond ( -5.684, 0.935, 3.018) ( -5.681, 0.938, 3.021) ( 0.04, 0.31, 0.10) 249: angle ( 19.037, 0.921, 3.045) ( 19.039, 0.921, 3.046) ( 0.01, 0.05, 0.03) 249: strbnd ( -4.528, 0.738, 3.763) ( -4.528, 0.738, 3.763) ( 0.01, 0.01, 0.00) 249: torsion ( 0.060, 0.659, 0.624) ( 0.060, 0.659, 0.624) ( 0.00, 0.00, 0.00) 249: oop ( 0.189, -0.311, -0.184) ( 0.157, -0.258, -0.153) ( 0.60, 1.64, 0.57) 249: vdw (-16.349, -10.170, -11.577) (-16.349, -10.170, -11.576) ( 0.00, 0.00, 0.00) 249: electro ( 7.284, 7.264, 1.264) ( 7.284, 7.264, 1.264) ( 0.00, 0.00, 0.00) 249: 6 ( -0.067, 0.088, 0.083) ( -0.052, 0.101, 0.090) ( 0.10, 0.11, 0.06) 249: bond ( -0.701, -2.222, 11.603) ( -0.699, -2.218, 11.607) ( 0.11, 0.18, 0.03) 249: angle ( -0.364, -2.925, 13.817) ( -0.363, -2.923, 13.819) ( 0.02, 0.05, 0.01) 249: strbnd ( 0.639, 2.955, -12.934) ( 0.639, 2.955, -12.935) ( 0.00, 0.00, 0.00) 14: OK 244/333 Test #14: test_gen3d_3 ........................................................................................ Passed 263.35 sec test 250 Start 250: origtest_ffmmff94_3 250: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffmmff94" "3" 250: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 250: Environment variables: 250: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 250: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 250: Test timeout computed to be: 1500 250: # Testing MMFF94 Force Field... 250: ok 1 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 248: 1 ( -0.124, 0.344, -0.637) ( -0.119, 0.347, -0.633) ( 0.06, 0.09, 0.26) 248: bond ( 4.786, 0.643, -1.120) ( 4.790, 0.648, -1.116) ( 0.08, 0.30, 0.40) 248: angle ( -4.248, -1.205, 2.065) ( -4.246, -1.204, 2.067) ( 0.04, 0.13, 0.09) 248: strbnd ( 1.309, 0.175, -0.296) ( 1.308, 0.175, -0.297) ( 0.05, 0.01, 0.02) 248: torsion ( 0.038, -0.180, 0.270) ( 0.038, -0.180, 0.270) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.019, 0.011) ( -0.000, 0.016, 0.009) ( 0.00, 0.01, 0.00) 248: vdw ( -0.992, 0.534, -0.937) ( -0.992, 0.534, -0.937) ( 0.00, 0.00, 0.00) 248: electro ( -1.018, 0.358, -0.630) ( -1.018, 0.358, -0.630) ( 0.00, 0.00, 0.00) 248: 2 ( 0.112, -0.042, 0.049) ( 0.120, -0.042, 0.054) ( 0.08, 0.00, 0.03) 248: bond ( -6.313, 3.829, -6.633) ( -6.307, 3.832, -6.625) ( 0.09, 0.07, 0.12) 248: angle ( 14.795, 1.490, -2.461) ( 14.798, 1.491, -2.460) ( 0.02, 0.05, 0.06) 248: strbnd ( -8.362, -5.365, 9.214) ( -8.362, -5.366, 9.212) ( 0.01, 0.01, 0.02) 248: torsion ( -0.008, -0.021, -0.086) ( -0.008, -0.021, -0.086) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.026, 0.015) ( 0.000, 0.022, 0.012) ( 0.00, 0.01, 0.00) 248: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( -0.084, -0.011, 0.022) ( -0.082, -0.014, 0.025) ( 0.02, 0.00, 0.01) 248: bond ( -1.795, -1.762, 3.022) ( -1.793, -1.760, 3.028) ( 0.11, 0.11, 0.18) 248: angle ( -8.883, 2.272, -3.938) ( -8.882, 2.272, -3.938) ( 0.01, 0.00, 0.00) 248: strbnd ( 5.080, 5.487, -9.440) ( 5.080, 5.487, -9.440) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, -0.052, -0.030) ( 0.000, -0.052, -0.030) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.025, 0.014) ( -0.000, 0.020, 0.012) ( 0.00, 0.01, 0.00) 248: vdw ( 2.113, 0.148, -0.250) ( 2.113, 0.148, -0.250) ( 0.00, 0.00, 0.00) 248: electro ( 3.400, -6.130, 10.644) ( 3.400, -6.130, 10.644) ( 0.00, 0.00, 0.00) 248: 4 ( -0.053, -0.027, 0.018) ( -0.044, 0.028, 0.054) ( 0.05, 0.15, 0.06) 248: bond ( 1.797, -0.285, 0.335) ( 1.804, -0.284, 0.341) ( 0.39, 0.05, 0.18) 248: angle ( -6.314, 1.453, -2.828) ( -6.313, 1.453, -2.827) ( 0.03, 0.02, 0.04) 248: strbnd ( 0.607, -1.012, 1.791) ( 0.607, -1.012, 1.791) ( 0.01, 0.01, 0.02) 248: torsion ( 0.002, 0.484, 0.279) ( 0.002, 0.484, 0.279) ( 0.00, 0.02, 0.00) 248: oop ( 0.001, -0.313, -0.179) ( 0.001, -0.260, -0.148) ( 0.00, 1.66, 0.54) 248: vdw ( 3.855, -0.353, 0.619) ( 3.855, -0.353, 0.619) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 ( 0.018, 0.028, -0.035) ( 0.020, 0.006, -0.045) ( 0.00, 0.06, 0.03) 248: bond ( -2.157, -2.229, 3.948) ( -2.156, -2.228, 3.951) ( 0.04, 0.04, 0.08) 248: angle ( -0.484, 0.182, -0.161) ( -0.483, 0.182, -0.161) ( 0.03, 0.00, 0.00) 248: strbnd ( 0.577, 0.505, -0.902) ( 0.577, 0.505, -0.902) ( 0.00, 0.00, 0.00) 248: torsion ( -0.003, -0.213, -0.121) ( -0.003, -0.213, -0.121) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.125, 0.071) ( 0.000, 0.102, 0.058) ( 0.00, 0.29, 0.09) 248: vdw ( 1.088, -0.556, 0.972) ( 1.088, -0.556, 0.972) ( 0.00, 0.00, 0.00) 248: electro ( 0.996, 2.213, -3.840) ( 0.996, 2.213, -3.840) ( 0.00, 0.00, 0.00) 248: 6 ( 0.021, 0.003, -0.007) ( 0.026, -0.014, -0.016) ( 0.01, 0.01, 0.01) 248: bond ( 3.250, 0.122, -0.167) ( 3.255, 0.122, -0.167) ( 0.15, 0.00, 0.00) 248: angle ( 0.458, -3.605, 6.307) ( 0.458, -3.605, 6.308) ( 0.00, 0.00, 0.01) 248: strbnd ( -0.266, -0.042, 0.065) ( -0.266, -0.042, 0.065) ( 0.00, 0.00, 0.00) 249: torsion ( 2.329, 1.562, 0.380) ( 2.330, 1.562, 0.380) ( 0.03, 0.02, 0.00) 249: oop ( -0.074, -0.043, -0.014) ( -0.062, -0.036, -0.012) ( 0.09, 0.03, 0.00) 249: vdw ( -1.895, 0.720, -12.746) ( -1.895, 0.720, -12.746) ( 0.00, 0.00, 0.00) 249: electro ( -0.002, 0.041, -0.023) ( -0.002, 0.041, -0.023) ( 0.00, 0.00, 0.00) 249: 7 ( 0.013, -0.054, 0.044) ( 0.021, -0.046, 0.052) ( 0.01, 0.04, 0.03) 249: bond ( -7.170, 10.526, 6.570) ( -7.169, 10.530, 6.576) ( 0.02, 0.04, 0.08) 249: angle ( 2.588, -3.055, -4.852) ( 2.588, -3.053, -4.850) ( 0.02, 0.04, 0.03) 249: strbnd ( -1.496, 3.392, -2.547) ( -1.496, 3.392, -2.547) ( 0.00, 0.00, 0.01) 249: torsion ( -1.418, -0.816, -0.200) ( -1.417, -0.816, -0.200) ( 0.07, 0.03, 0.00) 249: oop ( -0.027, -0.014, -0.002) ( -0.022, -0.012, -0.002) ( 0.01, 0.00, 0.00) 249: vdw ( 6.692, -9.975, -2.511) ( 6.692, -9.975, -2.511) ( 0.00, 0.00, 0.01) 249: electro ( 0.844, -0.112, 3.586) ( 0.844, -0.112, 3.586) ( 0.00, 0.00, 0.00) 249: 8 ( -0.029, 0.068, -0.054) ( -0.019, 0.078, -0.046) ( 0.03, 0.07, 0.04) 249: bond ( -5.733, 10.916, -5.111) ( -5.731, 10.920, -5.106) ( 0.03, 0.04, 0.10) 249: angle ( -0.069, 0.148, -0.147) ( -0.069, 0.149, -0.145) ( 0.00, 0.02, 0.02) 249: strbnd ( 0.254, -0.317, -0.321) ( 0.254, -0.317, -0.321) ( 0.00, 0.00, 0.01) 249: torsion ( -0.506, -0.295, -0.082) ( -0.505, -0.294, -0.082) ( 0.05, 0.01, 0.00) 249: oop ( -0.039, -0.023, -0.006) ( -0.033, -0.019, -0.005) ( 0.03, 0.01, 0.00) 249: vdw ( 5.846, -11.080, 5.290) ( 5.846, -11.080, 5.290) ( 0.00, 0.00, 0.00) 249: electro ( 0.218, 0.720, 0.323) ( 0.218, 0.720, 0.323) ( 0.00, 0.00, 0.00) 249: 9 ( -0.014, 0.016, -0.063) ( 0.004, 0.030, -0.053) ( 0.02, 0.02, 0.06) 249: bond ( 0.583, 2.170, -13.287) ( 0.585, 2.174, -13.282) ( 0.09, 0.18, 0.04) 249: angle ( 0.007, -0.113, 0.340) ( 0.007, -0.112, 0.341) ( 0.00, 0.01, 0.06) 249: strbnd ( 0.032, -0.099, 0.170) ( 0.032, -0.099, 0.170) ( 0.00, 0.00, 0.00) 249: torsion ( -0.193, -0.115, -0.023) ( -0.192, -0.114, -0.023) ( 0.02, 0.00, 0.00) 249: oop ( -0.086, -0.051, -0.013) ( -0.072, -0.043, -0.011) ( 0.13, 0.04, 0.00) 249: vdw ( -0.816, -2.222, 14.046) ( -0.816, -2.222, 14.046) ( 0.00, 0.00, 0.00) 249: electro ( 0.459, 0.446, -1.294) ( 0.459, 0.446, -1.294) ( 0.00, 0.00, 0.00) 249: 10 ( 0.012, -0.026, 0.043) ( 0.023, -0.017, 0.051) ( 0.01, 0.03, 0.03) 249: bond ( 6.512, -8.973, -7.628) ( 6.514, -8.969, -7.623) ( 0.03, 0.05, 0.07) 249: angle ( 0.058, -0.079, -0.055) ( 0.058, -0.078, -0.054) ( 0.00, 0.01, 0.01) 249: strbnd ( -0.185, 0.392, -0.179) ( -0.185, 0.392, -0.179) ( 0.00, 0.00, 0.00) 249: torsion ( -0.572, -0.345, -0.095) ( -0.571, -0.345, -0.095) ( 0.05, 0.01, 0.00) 249: oop ( -0.040, -0.024, -0.007) ( -0.032, -0.020, -0.005) ( 0.03, 0.01, 0.00) 249: vdw ( -6.571, 9.136, 7.766) ( -6.571, 9.136, 7.766) ( 0.00, 0.00, 0.00) 249: electro ( 0.809, -0.133, 0.241) ( 0.809, -0.133, 0.241) ( 0.00, 0.00, 0.00) 249: 11 ( 0.067, -0.113, -0.076) ( 0.083, -0.099, -0.068) ( 0.11, 0.16, 0.06) 249: bond ( 6.849, -12.437, 4.398) ( 6.851, -12.433, 4.404) ( 0.02, 0.03, 0.12) 249: angle ( -2.678, 5.816, -4.951) ( -2.677, 5.818, -4.949) ( 0.02, 0.02, 0.03) 249: strbnd ( 2.697, -3.157, -4.284) ( 2.697, -3.158, -4.284) ( 0.00, 0.00, 0.00) 249: torsion ( -1.703, -1.064, -0.247) ( -1.702, -1.063, -0.247) ( 0.06, 0.03, 0.00) 249: oop ( -0.078, -0.050, -0.010) ( -0.065, -0.042, -0.009) ( 0.10, 0.04, 0.00) 249: vdw ( -5.728, 10.270, 1.476) ( -5.728, 10.270, 1.476) ( 0.00, 0.00, 0.01) 249: electro ( 0.708, 0.510, 3.541) ( 0.708, 0.510, 3.542) ( 0.00, 0.00, 0.00) 249: 12 ( 0.104, -0.040, 0.163) ( 0.215, -0.206, 0.071) ( 1.16, 0.66, 1.49) 250: 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85) 250: bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) 250: angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) 250: strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) 250: torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) 250: oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) 250: vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) 250: electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00) 250: 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52) 250: bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) 250: angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) 250: strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) 250: torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) 250: oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) 250: vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) 250: electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00) 250: 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25) 250: bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) 250: angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) 250: strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) 250: torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) 250: oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) 250: vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) 250: electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00) 250: 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29) 250: bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) 250: angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) 250: strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) 250: torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) 250: oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) 250: vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) 250: electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00) 250: 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75) 250: bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) 250: angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) 250: strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) 250: torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) 250: oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) 250: vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) 250: electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00) 250: 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13) 250: bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) 250: angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) 250: strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) 248: torsion ( 0.001, -0.156, -0.091) ( 0.001, -0.156, -0.091) ( 0.00, 0.00, 0.00) 248: oop ( -0.001, 0.118, 0.067) ( -0.001, 0.101, 0.058) ( 0.00, 0.20, 0.07) 248: vdw ( -0.044, 0.008, -0.015) ( -0.044, 0.008, -0.015) ( 0.00, 0.00, 0.00) 248: electro ( -3.378, 3.559, -6.174) ( -3.378, 3.559, -6.174) ( 0.00, 0.00, 0.00) 248: 7 ( -0.050, -0.182, 0.030) ( -0.049, -0.179, 0.030) ( 0.00, 0.06, 0.00) 248: bond ( 0.021, 0.069, -0.002) ( 0.021, 0.073, -0.002) ( 0.00, 0.02, 0.00) 248: angle ( 1.553, -0.437, 0.860) ( 1.553, -0.437, 0.860) ( 0.03, 0.00, 0.04) 248: strbnd ( 0.368, 0.645, -0.047) ( 0.368, 0.645, -0.047) ( 0.00, 0.00, 0.00) 248: torsion ( -0.015, 0.001, -0.149) ( -0.015, 0.001, -0.149) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.977, -0.460, -0.633) ( -1.977, -0.460, -0.633) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 8 ( -0.053, 0.067, 0.183) ( -0.052, 0.068, 0.186) ( 0.00, 0.01, 0.05) 248: bond ( 0.017, -0.029, -0.055) ( 0.018, -0.028, -0.053) ( 0.00, 0.00, 0.01) 248: angle ( 1.567, -0.533, 0.815) ( 1.568, -0.532, 0.815) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.370, -0.276, -0.582) ( 0.370, -0.276, -0.582) ( 0.00, 0.00, 0.00) 248: torsion ( -0.016, 0.130, -0.075) ( -0.016, 0.130, -0.075) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.992, 0.775, 0.081) ( -1.992, 0.775, 0.081) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 9 ( 0.179, -0.202, 0.342) ( 0.180, -0.201, 0.344) ( 0.02, 0.02, 0.08) 248: bond ( 0.367, -0.375, 0.641) ( 0.368, -0.374, 0.643) ( 0.02, 0.03, 0.13) 248: angle ( 1.546, 0.380, -0.664) ( 1.547, 0.380, -0.664) ( 0.03, 0.01, 0.01) 248: strbnd ( 0.317, -0.116, 0.199) ( 0.317, -0.116, 0.199) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.006, 0.003) ( -0.000, 0.006, 0.003) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.052, -0.097, 0.162) ( -2.052, -0.097, 0.162) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 6 # gradients 248: ok 7 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 249: bond ( 13.123, 9.974, -3.258) ( 13.130, 9.977, -3.250) ( 0.05, 0.02, 0.25) 249: angle (-14.649, 0.422, 3.858) (-14.647, 0.423, 3.860) ( 0.02, 0.06, 0.05) 249: strbnd ( 6.144, 3.136, 1.986) ( 6.144, 3.135, 1.985) ( 0.01, 0.02, 0.05) 249: torsion ( 0.114, -1.966, -1.386) ( 0.114, -1.966, -1.386) ( 0.00, 0.01, 0.00) 249: oop ( -0.600, 0.982, 0.585) ( -0.496, 0.813, 0.485) ( 6.21, 16.58, 5.91) 249: vdw ( -6.672, 1.688, -4.514) ( -6.672, 1.688, -4.514) ( 0.00, 0.00, 0.00) 249: electro ( 2.643, -14.275, 2.893) ( 2.643, -14.275, 2.893) ( 0.00, 0.00, 0.00) 249: 13 ( 0.040, -0.004, 0.029) ( 0.046, 0.002, 0.035) ( 0.02, 0.00, 0.02) 249: bond ( -2.991, 1.047, -11.722) ( -2.987, 1.051, -11.718) ( 0.13, 0.39, 0.04) 249: angle ( -2.018, 2.285, 8.597) ( -2.016, 2.287, 8.599) ( 0.11, 0.09, 0.02) 249: strbnd ( 2.619, -2.990, 4.758) ( 2.618, -2.991, 4.758) ( 0.04, 0.03, 0.02) 249: torsion ( -0.041, -0.092, 0.175) ( -0.041, -0.092, 0.175) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 14.014, 8.530, 0.129) ( 14.014, 8.530, 0.129) ( 0.00, 0.00, 0.00) 249: electro (-11.542, -8.783, -1.908) (-11.542, -8.783, -1.908) ( 0.00, 0.00, 0.00) 249: 14 ( 0.024, -0.010, 0.034) ( 0.029, -0.005, 0.040) ( 0.01, 0.00, 0.02) 249: bond ( -4.655, 3.822, -2.177) ( -4.651, 3.826, -2.172) ( 0.08, 0.10, 0.21) 249: angle ( -4.059, -1.702, -4.245) ( -4.057, -1.700, -4.243) ( 0.05, 0.12, 0.05) 249: strbnd ( 2.089, 1.563, 0.776) ( 2.088, 1.562, 0.776) ( 0.05, 0.07, 0.03) 249: torsion ( 0.938, 1.048, 1.864) ( 0.938, 1.048, 1.864) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 3.794, -3.935, 2.717) ( 3.794, -3.935, 2.717) ( 0.00, 0.00, 0.00) 249: electro ( 1.918, -0.806, 1.098) ( 1.918, -0.806, 1.098) ( 0.00, 0.00, 0.00) 249: 15 ( -0.042, -0.017, 0.014) ( -0.037, -0.011, 0.020) ( 0.02, 0.01, 0.01) 249: bond ( -6.167, -3.752, 0.389) ( -6.163, -3.748, 0.393) ( 0.07, 0.11, 0.18) 249: angle ( 3.378, 1.344, -4.652) ( 3.380, 1.345, -4.650) ( 0.06, 0.14, 0.04) 249: strbnd ( 0.915, 0.369, -0.380) ( 0.914, 0.369, -0.380) ( 0.08, 0.02, 0.02) 249: torsion ( 1.467, -0.659, 4.905) ( 1.467, -0.659, 4.905) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.366, 2.682, -0.248) ( 0.366, 2.682, -0.248) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 16 ( 0.001, -0.001, -0.009) ( -0.007, -0.004, -0.008) ( 0.00, 0.00, 0.00) 249: bond ( -1.392, 1.999, 1.715) ( -1.392, 2.000, 1.716) ( 0.06, 0.08, 0.07) 249: angle ( -0.390, 1.079, -1.575) ( -0.390, 1.079, -1.575) ( 0.00, 0.02, 0.03) 249: strbnd ( 0.199, -0.272, -0.384) ( 0.199, -0.272, -0.384) ( 0.00, 0.00, 0.00) 249: torsion ( 0.947, 0.545, 0.133) ( 0.948, 0.545, 0.133) ( 0.02, 0.00, 0.00) 249: oop ( 0.050, 0.029, 0.007) ( 0.041, 0.024, 0.006) ( 0.04, 0.01, 0.00) 249: vdw ( 1.566, -2.362, 2.661) ( 1.566, -2.362, 2.662) ( 0.00, 0.00, 0.00) 249: electro ( -0.979, -1.018, -2.566) ( -0.979, -1.018, -2.566) ( 0.00, 0.00, 0.00) 249: 17 ( 0.013, -0.037, 0.011) ( 0.006, -0.039, 0.010) ( 0.01, 0.01, 0.00) 249: bond ( -1.079, 2.138, -1.059) ( -1.078, 2.140, -1.059) ( 0.06, 0.12, 0.06) 249: angle ( 0.033, -0.019, -0.072) ( 0.033, -0.019, -0.072) ( 0.00, 0.00, 0.00) 249: strbnd ( 0.329, -0.679, 0.351) ( 0.329, -0.679, 0.351) ( 0.00, 0.00, 0.00) 249: torsion ( 0.254, 0.148, 0.041) ( 0.254, 0.148, 0.041) ( 0.01, 0.00, 0.00) 249: oop ( 0.051, 0.029, 0.008) ( 0.042, 0.025, 0.007) ( 0.04, 0.01, 0.00) 250: torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) 250: oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) 250: vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) 250: electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00) 250: 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51) 250: bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) 250: angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) 250: strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) 250: torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) 250: oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) 250: vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) 250: electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00) 250: 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93) 250: bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) 250: angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) 250: strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) 250: torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) 250: oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) 250: vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) 250: electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00) 250: 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02) 250: bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) 250: angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) 250: strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) 250: torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) 250: electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00) 250: 10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31) 250: bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) 250: angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) 250: strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) 250: torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) 250: oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) 250: vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) 250: electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00) 250: 11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19) 250: bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) 250: angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) 250: strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) 250: torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) 250: oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) 250: vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) 250: electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00) 250: 12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51) 248: 1 ( 0.431, 0.382, 0.004) ( 0.436, 0.388, 0.009) ( 0.22, 0.23, 0.00) 248: bond ( -4.893, 2.856, -3.005) ( -4.889, 2.861, -3.000) ( 0.09, 0.16, 0.15) 248: angle ( 1.859, -4.639, 2.751) ( 1.861, -4.637, 2.752) ( 0.10, 0.04, 0.06) 248: strbnd ( 0.352, -0.450, 0.642) ( 0.351, -0.450, 0.641) ( 0.05, 0.03, 0.04) 248: torsion ( -0.296, -0.439, 0.009) ( -0.296, -0.439, 0.009) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 5.689, 2.322, 0.608) ( 5.689, 2.322, 0.608) ( 0.00, 0.00, 0.00) 248: electro ( -2.279, 0.731, -1.001) ( -2.279, 0.731, -1.001) ( 0.00, 0.00, 0.00) 248: 2 ( -0.776, -0.622, -0.218) ( -0.780, -0.606, -0.189) ( 0.23, 0.97, 0.62) 248: bond ( 7.306, -2.470, 3.157) ( 7.312, -2.468, 3.158) ( 0.07, 0.08, 0.02) 248: angle ( 2.892, 8.647, -4.003) ( 2.893, 8.648, -4.002) ( 0.01, 0.02, 0.01) 248: strbnd (-10.808, -7.207, -0.152) (-10.809, -7.207, -0.152) ( 0.00, 0.00, 0.00) 248: torsion ( -0.221, 0.486, 0.955) ( -0.221, 0.486, 0.955) ( 0.00, 0.00, 0.01) 248: oop ( 0.054, -0.078, -0.175) ( 0.045, -0.066, -0.147) ( 0.04, 0.09, 0.48) 248: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( 0.077, -0.215, -0.263) ( 0.077, -0.212, -0.263) ( 0.01, 0.07, 0.02) 248: bond ( 0.045, 0.977, 0.187) ( 0.045, 0.980, 0.187) ( 0.00, 0.32, 0.00) 248: angle ( -5.704, 0.511, -1.299) ( -5.703, 0.511, -1.299) ( 0.01, 0.00, 0.04) 248: strbnd ( -0.435, 0.449, -0.226) ( -0.435, 0.449, -0.226) ( 0.00, 0.00, 0.00) 248: torsion ( -0.156, -0.037, 0.231) ( -0.156, -0.037, 0.231) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 6.326, -2.115, 0.844) ( 6.326, -2.115, 0.844) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 4 ( -0.154, -0.035, 0.283) ( -0.151, -0.034, 0.284) ( 0.04, 0.00, 0.03) 248: bond ( -0.518, -0.212, 0.225) ( -0.515, -0.211, 0.226) ( 0.13, 0.01, 0.01) 248: angle ( 0.309, -0.045, 0.666) ( 0.310, -0.044, 0.666) ( 0.01, 0.00, 0.03) 248: strbnd ( -0.108, 0.417, -0.398) ( -0.108, 0.418, -0.398) ( 0.00, 0.00, 0.00) 248: torsion ( -0.012, -0.211, -0.225) ( -0.012, -0.211, -0.225) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.175, 0.014, 0.016) ( 0.175, 0.014, 0.016) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 ( -0.220, -0.180, -0.107) ( -0.219, -0.179, -0.104) ( 0.01, 0.01, 0.04) 248: bond ( 0.005, -0.076, -0.456) ( 0.005, -0.076, -0.453) ( 0.00, 0.00, 0.15) 248: angle ( -1.188, -0.996, 0.154) ( -1.187, -0.996, 0.154) ( 0.05, 0.05, 0.00) 248: strbnd ( -0.441, 0.249, -0.473) ( -0.441, 0.249, -0.473) ( 0.00, 0.00, 0.00) 248: torsion ( 0.429, 0.568, -0.091) ( 0.429, 0.568, -0.091) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.975, 0.076, 0.758) ( 0.975, 0.076, 0.758) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 6 ( 0.815, 1.141, -0.215) ( 0.856, 1.101, -0.316) ( 3.35, 3.49, 2.17) 248: bond ( -0.770, -0.798, 0.110) ( -0.761, -0.793, 0.112) ( 0.74, 0.41, 0.02) 248: angle ( -6.533, -4.058, -0.587) ( -6.531, -4.056, -0.587) ( 0.02, 0.05, 0.02) 248: strbnd ( 13.048, 4.199, 2.149) ( 13.046, 4.199, 2.149) ( 0.02, 0.01, 0.01) 16: OK 16: Testing gen3D(3): C[C@@H]([C@H](C(=O)O)N)O 248: torsion ( 0.259, -0.370, -0.890) ( 0.259, -0.370, -0.889) ( 0.00, 0.00, 0.01) 248: oop ( -0.183, 0.268, 0.599) ( -0.151, 0.221, 0.495) ( 0.59, 1.25, 6.20) 248: vdw ( -5.005, 1.900, -1.595) ( -5.005, 1.900, -1.595) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 7 ( -0.169, -0.110, -0.044) ( -0.176, -0.088, 0.004) ( 0.13, 0.25, 0.21) 248: bond ( -1.232, 0.565, -0.626) ( -1.226, 0.566, -0.625) ( 0.52, 0.08, 0.10) 248: angle ( -0.414, -0.699, 0.179) ( -0.414, -0.698, 0.179) ( 0.01, 0.04, 0.00) 248: strbnd ( -1.351, 0.487, -0.628) ( -1.351, 0.487, -0.628) ( 0.01, 0.00, 0.00) 248: torsion ( -0.063, 0.092, 0.208) ( -0.063, 0.092, 0.208) ( 0.00, 0.00, 0.00) 248: oop ( 0.065, -0.095, -0.213) ( 0.051, -0.074, -0.167) ( 0.09, 0.19, 0.98) 248: vdw ( -0.079, 0.007, -0.027) ( -0.079, 0.007, -0.027) ( 0.00, 0.00, 0.00) 248: electro ( 2.906, -0.466, 1.064) ( 2.906, -0.466, 1.064) ( 0.00, 0.00, 0.00) 248: 8 ( -0.035, -0.388, 0.541) ( -0.043, -0.371, 0.574) ( 0.03, 0.66, 1.76) 248: bond ( 0.028, -0.862, 0.394) ( 0.028, -0.860, 0.395) ( 0.00, 0.24, 0.02) 248: angle ( 8.772, 1.272, 2.136) ( 8.772, 1.272, 2.136) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.253, 1.856, -0.912) ( -0.253, 1.856, -0.912) ( 0.00, 0.00, 0.00) 248: torsion ( 0.061, -0.089, -0.197) ( 0.061, -0.089, -0.197) ( 0.00, 0.00, 0.00) 248: oop ( 0.065, -0.096, -0.213) ( 0.055, -0.081, -0.181) ( 0.06, 0.14, 0.68) 248: vdw ( -8.081, -2.204, -0.604) ( -8.081, -2.204, -0.604) ( 0.00, 0.00, 0.00) 248: electro ( -0.627, -0.265, -0.063) ( -0.627, -0.265, -0.063) ( 0.00, 0.00, 0.00) 248: ok 8 # gradients 248: ok 9 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 249: vdw ( 0.321, -0.617, 0.307) ( 0.321, -0.617, 0.307) ( 0.00, 0.00, 0.00) 249: electro ( 0.104, -1.037, 0.435) ( 0.104, -1.037, 0.435) ( 0.00, 0.00, 0.00) 249: 18 ( -0.002, -0.001, 0.010) ( -0.012, -0.006, 0.011) ( 0.00, 0.00, 0.00) 249: bond ( 0.172, 0.436, -2.694) ( 0.172, 0.436, -2.691) ( 0.00, 0.00, 0.13) 249: angle ( 0.012, 0.006, 0.002) ( 0.012, 0.006, 0.002) ( 0.00, 0.00, 0.00) 249: strbnd ( -0.076, -0.152, 0.941) ( -0.076, -0.152, 0.941) ( 0.00, 0.00, 0.00) 249: torsion ( 0.138, 0.082, 0.022) ( 0.138, 0.082, 0.022) ( 0.00, 0.00, 0.00) 249: oop ( 0.066, 0.040, 0.011) ( 0.055, 0.033, 0.009) ( 0.07, 0.03, 0.00) 249: vdw ( -0.039, -0.117, 0.755) ( -0.039, -0.117, 0.755) ( 0.00, 0.00, 0.00) 249: electro ( -0.275, -0.295, 0.974) ( -0.275, -0.295, 0.974) ( 0.00, 0.00, 0.00) 249: 19 ( -0.010, 0.002, 0.007) ( -0.018, -0.002, 0.007) ( 0.01, 0.00, 0.00) 249: bond ( 1.319, -1.740, -1.572) ( 1.320, -1.739, -1.570) ( 0.07, 0.09, 0.08) 249: angle ( -0.010, 0.055, -0.071) ( -0.010, 0.056, -0.070) ( 0.00, 0.00, 0.00) 249: strbnd ( -0.440, 0.556, 0.528) ( -0.440, 0.556, 0.528) ( 0.00, 0.00, 0.00) 249: torsion ( 0.286, 0.174, 0.048) ( 0.286, 0.174, 0.048) ( 0.01, 0.00, 0.00) 249: oop ( 0.057, 0.035, 0.009) ( 0.048, 0.029, 0.008) ( 0.05, 0.02, 0.00) 249: vdw ( -0.364, 0.499, 0.452) ( -0.364, 0.499, 0.452) ( 0.00, 0.00, 0.00) 249: electro ( -0.858, 0.422, 0.612) ( -0.858, 0.422, 0.612) ( 0.00, 0.00, 0.00) 249: 20 ( -0.011, 0.019, -0.003) ( -0.022, 0.014, -0.004) ( 0.01, 0.01, 0.00) 249: bond ( 1.065, -1.923, 0.931) ( 1.066, -1.921, 0.932) ( 0.07, 0.13, 0.05) 249: angle ( 0.816, -0.719, -2.417) ( 0.816, -0.719, -2.416) ( 0.01, 0.00, 0.02) 249: strbnd ( -0.179, 0.321, -0.263) ( -0.179, 0.321, -0.263) ( 0.00, 0.00, 0.00) 249: torsion ( 1.157, 0.723, 0.167) ( 1.157, 0.723, 0.167) ( 0.02, 0.01, 0.00) 249: oop ( 0.072, 0.045, 0.011) ( 0.060, 0.037, 0.009) ( 0.09, 0.03, 0.00) 249: vdw ( -1.141, 1.967, 4.393) ( -1.141, 1.967, 4.393) ( 0.00, 0.00, 0.00) 249: electro ( -1.800, -0.394, -2.826) ( -1.800, -0.394, -2.826) ( 0.00, 0.00, 0.00) 249: 21 ( -0.002, -0.005, -0.023) ( -0.001, -0.004, -0.021) ( 0.00, 0.00, 0.01) 249: bond ( 1.444, -1.170, -2.502) ( 1.445, -1.169, -2.500) ( 0.05, 0.04, 0.09) 249: angle ( -2.245, -3.938, 0.544) ( -2.244, -3.937, 0.544) ( 0.02, 0.01, 0.01) 249: strbnd ( -0.862, 0.401, -0.476) ( -0.862, 0.401, -0.476) ( 0.00, 0.00, 0.00) 249: torsion ( -1.116, -0.117, -0.590) ( -1.116, -0.117, -0.590) ( 0.00, 0.00, 0.00) 249: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.776, 4.819, 3.001) ( 2.776, 4.819, 3.001) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 22 ( -0.015, 0.012, -0.030) ( -0.014, 0.013, -0.028) ( 0.00, 0.00, 0.01) 249: bond ( 0.154, -0.044, 0.213) ( 0.155, -0.044, 0.215) ( 0.02, 0.00, 0.05) 249: angle ( -3.150, 0.346, 2.340) ( -3.150, 0.346, 2.340) ( 0.01, 0.02, 0.01) 249: strbnd ( -1.019, 0.402, -1.027) ( -1.019, 0.402, -1.027) ( 0.00, 0.00, 0.00) 249: torsion ( 1.025, -0.593, -0.859) ( 1.025, -0.593, -0.859) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.975, -0.099, -0.696) ( 2.975, -0.099, -0.696) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 23 ( -0.002, -0.007, -0.010) ( -0.000, -0.006, -0.007) ( 0.00, 0.00, 0.00) 249: bond ( -0.844, 0.674, 1.498) ( -0.843, 0.674, 1.500) ( 0.06, 0.03, 0.15) 250: bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) 250: angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) 250: strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) 250: torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) 250: oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) 250: vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) 250: electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00) 250: 13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32) 250: bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) 250: angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) 250: strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) 250: torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) 250: oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) 250: electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00) 250: 14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04) 250: bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) 250: angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) 250: strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) 250: torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) 250: oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) 250: vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) 250: electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00) 250: 15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03) 250: bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) 250: angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) 250: strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) 250: torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) 250: oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 250: vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) 250: electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00) 250: 16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13) 250: bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) 250: angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) 250: strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) 250: torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) 250: oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) 250: vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) 250: electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00) 250: 17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58) 250: bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) 250: angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) 250: strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) 250: torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) 250: oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) 249: angle ( 0.780, 0.980, -0.002) ( 0.780, 0.980, -0.002) ( 0.03, 0.05, 0.00) 249: strbnd ( -0.246, 0.126, -0.182) ( -0.246, 0.126, -0.182) ( 0.00, 0.00, 0.00) 249: torsion ( -1.955, -0.263, -0.980) ( -1.955, -0.263, -0.980) ( 0.00, 0.00, 0.00) 249: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.263, -1.523, -0.342) ( 2.263, -1.523, -0.342) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 24 ( 0.008, -0.004, -0.001) ( 0.009, -0.001, -0.001) ( 0.00, 0.00, 0.00) 249: bond ( 0.400, -1.579, 0.234) ( 0.400, -1.576, 0.235) ( 0.01, 0.20, 0.00) 249: angle ( -0.974, 0.080, 2.199) ( -0.974, 0.080, 2.199) ( 0.05, 0.00, 0.02) 249: strbnd ( -0.565, 0.621, -0.074) ( -0.565, 0.621, -0.074) ( 0.00, 0.00, 0.00) 249: torsion ( -0.236, -0.429, -2.483) ( -0.236, -0.429, -2.483) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.383, 1.303, 0.122) ( 1.383, 1.303, 0.122) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 25 ( -0.003, 0.003, 0.000) ( -0.001, 0.003, 0.003) ( 0.00, 0.00, 0.00) 249: bond ( -0.527, 0.046, -0.630) ( -0.526, 0.046, -0.628) ( 0.07, 0.00, 0.13) 249: angle ( -0.726, -0.901, 0.541) ( -0.725, -0.901, 0.541) ( 0.02, 0.04, 0.01) 249: strbnd ( -0.277, -0.238, 0.153) ( -0.277, -0.238, 0.153) ( 0.00, 0.00, 0.00) 249: torsion ( 0.187, -0.339, -0.181) ( 0.187, -0.338, -0.181) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.340, 1.434, 0.118) ( 1.340, 1.434, 0.118) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 26 ( 0.006, -0.002, -0.020) ( 0.007, -0.001, -0.018) ( 0.00, 0.00, 0.01) 249: bond ( -0.838, 0.546, 1.494) ( -0.837, 0.547, 1.496) ( 0.06, 0.02, 0.16) 249: angle ( -0.275, -2.955, 0.926) ( -0.274, -2.954, 0.926) ( 0.01, 0.02, 0.01) 249: strbnd ( -0.022, -0.439, -0.536) ( -0.022, -0.439, -0.536) ( 0.00, 0.00, 0.00) 249: torsion ( -1.106, 1.318, -1.100) ( -1.106, 1.318, -1.100) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.246, 1.528, -0.804) ( 2.246, 1.528, -0.804) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: ok 6 # gradients 249: ok 7 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : fizgok.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 248: 1 ( 6.021, -8.841, 15.336) ( 6.025, -8.837, 15.339) ( 0.07, 0.04, 0.02) 248: bond ( 13.697, -19.381, 33.622) ( 13.700, -19.379, 33.624) ( 0.02, 0.02, 0.01) 248: angle ( -4.188, 5.759, -9.944) ( -4.187, 5.761, -9.942) ( 0.03, 0.02, 0.02) 248: strbnd ( -3.294, 4.646, -8.104) ( -3.295, 4.645, -8.105) ( 0.02, 0.01, 0.01) 248: torsion ( -0.194, 0.135, -0.238) ( -0.194, 0.135, -0.238) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 2 ( -9.933, -2.704, 4.639) ( -9.929, -2.699, 4.644) ( 0.04, 0.19, 0.11) 248: bond (-13.151, 0.001, 0.002) (-13.148, 0.005, 0.006) ( 0.03, 0.00, 0.00) 248: angle ( -5.431, -2.186, 3.739) ( -5.429, -2.184, 3.741) ( 0.03, 0.08, 0.04) 248: strbnd ( 4.098, -2.031, 3.530) ( 4.097, -2.031, 3.529) ( 0.04, 0.02, 0.01) 248: torsion ( 0.000, 0.166, -0.285) ( 0.000, 0.166, -0.285) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( 3.813, 8.396, 5.795) ( 3.819, 8.400, 5.800) ( 0.14, 0.05, 0.09) 248: bond ( 4.362, 12.392, -0.017) ( 4.366, 12.395, -0.013) ( 0.09, 0.03, 0.01) 248: angle ( 3.888, 4.351, 3.744) ( 3.890, 4.353, 3.746) ( 0.05, 0.04, 0.04) 248: strbnd ( 0.568, -4.531, 3.529) ( 0.568, -4.532, 3.529) ( 0.03, 0.03, 0.01) 248: torsion ( 0.479, -0.170, 0.882) ( 0.479, -0.170, 0.882) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 4 ( 3.726, -9.185, -4.409) ( 3.731, -9.180, -4.405) ( 0.14, 0.05, 0.09) 248: bond ( 4.377, -6.197, -10.754) ( 4.381, -6.194, -10.751) ( 0.09, 0.06, 0.03) 248: angle ( 3.836, -5.397, -1.958) ( 3.837, -5.396, -1.956) ( 0.05, 0.03, 0.09) 248: strbnd ( 0.555, -0.774, 5.727) ( 0.555, -0.774, 5.725) ( 0.03, 0.04, 0.02) 248: torsion ( 0.478, -0.675, 0.585) ( 0.478, -0.675, 0.585) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 ( -2.313, 28.066, 0.105) ( -2.312, 28.068, 0.106) ( 0.04, 0.01, 0.01) 248: bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) 248: angle ( 1.760, 0.623, -0.007) ( 1.760, 0.623, -0.006) ( 0.03, 0.00, 0.00) 248: strbnd ( -1.908, -0.349, 0.000) ( -1.908, -0.349, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, 0.152) ( 0.000, 0.000, 0.152) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 6 ( -9.233, -13.275, 23.034) ( -9.232, -13.274, 23.036) ( 0.01, 0.01, 0.01) 248: bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) 248: angle ( 1.828, -0.303, 0.571) ( 1.829, -0.302, 0.572) ( 0.02, 0.01, 0.01) 248: strbnd ( -1.910, 0.171, -0.295) ( -1.910, 0.171, -0.295) ( 0.00, 0.00, 0.00) 250: vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) 250: electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00) 250: 18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48) 250: bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) 250: angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) 250: strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) 250: torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) 250: oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) 250: vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) 250: electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00) 250: 19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00) 250: bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) 250: angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) 250: strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) 250: torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) 250: oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) 250: vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) 250: electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00) 250: 20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94) 250: bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) 250: angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) 250: strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) 250: torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) 250: oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) 250: vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) 250: electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00) 250: 21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12) 250: bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) 250: angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) 250: strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) 250: torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) 250: oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) 250: vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) 250: electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00) 250: 22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01) 250: bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) 250: angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) 250: strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) 250: torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) 250: electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00) 250: 23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06) 250: bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) 249: 1 ( 0.075, 0.147, -0.085) ( 0.082, 0.159, -0.080) ( 0.05, 0.19, 0.04) 249: bond ( -7.838, -3.903, -3.643) ( -7.834, -3.894, -3.639) ( 0.06, 0.21, 0.11) 249: angle ( 7.377, -14.044, 12.273) ( 7.380, -14.042, 12.275) ( 0.04, 0.02, 0.02) 249: strbnd ( 0.657, 1.642, -0.343) ( 0.656, 1.641, -0.344) ( 0.08, 0.06, 0.04) 249: torsion ( -0.045, 0.673, -0.372) ( -0.045, 0.673, -0.371) ( 0.00, 0.01, 0.00) 249: oop ( -0.007, -0.027, 0.009) ( -0.007, -0.024, 0.008) ( 0.00, 0.01, 0.00) 249: vdw ( -0.525, -6.965, 3.135) ( -0.525, -6.965, 3.135) ( 0.00, 0.00, 0.00) 249: electro ( 0.455, 22.771, -11.143) ( 0.455, 22.771, -11.143) ( 0.00, 0.00, 0.00) 249: 2 ( 1.636, -0.294, 0.523) ( 1.645, -0.288, 0.526) ( 0.60, 0.19, 0.15) 249: bond (-11.204, 8.407, 18.715) (-11.196, 8.408, 18.718) ( 0.07, 0.01, 0.02) 249: angle ( 0.078, 5.582, 5.314) ( 0.080, 5.582, 5.316) ( 0.01, 0.01, 0.04) 249: strbnd ( 14.683, -10.263, -21.918) ( 14.682, -10.263, -21.919) ( 0.01, 0.00, 0.00) 249: torsion ( 0.150, 0.067, -0.035) ( 0.150, 0.067, -0.035) ( 0.00, 0.00, 0.00) 249: oop ( -0.011, -0.041, 0.013) ( -0.010, -0.036, 0.012) ( 0.00, 0.02, 0.00) 249: vdw ( -1.009, -4.181, -1.167) ( -1.009, -4.181, -1.167) ( 0.00, 0.00, 0.00) 249: electro ( -1.053, 0.135, -0.399) ( -1.053, 0.135, -0.399) ( 0.00, 0.00, 0.00) 249: 3 ( -1.196, -0.099, -1.352) ( -1.194, -0.124, -1.338) ( 0.11, 0.25, 1.02) 249: bond ( -4.431, 5.571, 14.123) ( -4.424, 5.572, 14.127) ( 0.17, 0.01, 0.03) 249: angle ( 2.807, -2.317, -5.897) ( 2.808, -2.317, -5.895) ( 0.05, 0.01, 0.04) 249: strbnd ( -0.396, -3.222, -10.930) ( -0.396, -3.222, -10.931) ( 0.03, 0.00, 0.01) 249: torsion ( 0.009, 0.024, -0.016) ( 0.009, 0.024, -0.016) ( 0.00, 0.00, 0.00) 249: oop ( 0.040, 0.151, -0.046) ( 0.033, 0.124, -0.038) ( 0.03, 0.41, 0.04) 249: vdw ( -1.180, -0.564, -1.315) ( -1.180, -0.564, -1.315) ( 0.00, 0.00, 0.00) 249: electro ( 1.956, 0.259, 2.729) ( 1.956, 0.259, 2.729) ( 0.00, 0.00, 0.00) 249: 4 ( -0.453, 0.371, 0.817) ( -0.453, 0.347, 0.833) ( 0.03, 0.90, 1.31) 249: bond ( 11.836, -5.927, -8.661) ( 11.841, -5.926, -8.655) ( 0.04, 0.01, 0.08) 249: angle ( -4.489, 2.870, 4.414) ( -4.487, 2.870, 4.415) ( 0.05, 0.01, 0.03) 249: strbnd ( -9.187, 3.979, 4.504) ( -9.187, 3.979, 4.504) ( 0.01, 0.00, 0.01) 249: torsion ( -0.003, 0.015, 0.000) ( -0.003, 0.016, 0.000) ( 0.00, 0.00, 0.00) 249: oop ( 0.040, 0.146, -0.047) ( 0.033, 0.121, -0.038) ( 0.03, 0.38, 0.04) 249: vdw ( -1.795, -0.128, -0.448) ( -1.795, -0.128, -0.448) ( 0.00, 0.00, 0.00) 249: electro ( 3.145, -0.584, 1.055) ( 3.145, -0.584, 1.055) ( 0.00, 0.00, 0.00) 249: 5 ( -0.041, 0.004, 0.038) ( -0.035, 0.010, 0.045) ( 0.02, 0.00, 0.03) 249: bond ( 13.675, -9.287, -16.484) ( 13.679, -9.286, -16.477) ( 0.03, 0.01, 0.04) 249: angle ( 6.589, 0.956, -3.854) ( 6.590, 0.957, -3.852) ( 0.03, 0.06, 0.04) 249: strbnd (-16.570, 11.056, 19.409) (-16.571, 11.055, 19.409) ( 0.01, 0.00, 0.00) 249: torsion ( 0.066, 0.138, 0.084) ( 0.066, 0.138, 0.084) ( 0.00, 0.01, 0.00) 249: oop ( -0.010, -0.039, 0.012) ( -0.009, -0.035, 0.011) ( 0.00, 0.02, 0.00) 249: vdw ( -3.074, -2.716, 1.743) ( -3.074, -2.716, 1.743) ( 0.00, 0.00, 0.00) 249: electro ( -0.716, -0.103, -0.873) ( -0.716, -0.103, -0.873) ( 0.00, 0.00, 0.00) 249: 6 ( 0.013, -0.004, -0.008) ( 0.016, 0.001, -0.008) ( 0.00, 0.00, 0.00) 249: bond ( 11.948, -5.575, -8.525) ( 11.950, -5.574, -8.524) ( 0.01, 0.01, 0.01) 249: angle ( -0.801, -0.056, -1.086) ( -0.801, -0.057, -1.085) ( 0.01, 0.00, 0.03) 249: strbnd (-17.035, 8.265, 13.244) (-17.035, 8.265, 13.244) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 7 ( -2.162, -14.129, -24.316) ( -2.161, -14.129, -24.314) ( 0.04, 0.01, 0.01) 248: bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) 248: angle ( 1.840, -0.299, -0.578) ( 1.840, -0.299, -0.578) ( 0.02, 0.01, 0.01) 248: strbnd ( -1.909, 0.172, 0.297) ( -1.909, 0.172, 0.297) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.133, 0.077) ( 0.000, -0.133, 0.077) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 8 ( 27.568, -1.841, -1.569) ( 27.570, -1.840, -1.569) ( 0.01, 0.04, 0.04) 248: bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) 248: angle ( 0.000, -1.856, -0.010) ( 0.000, -1.856, -0.009) ( 0.00, 0.03, 0.00) 248: strbnd ( 0.304, 1.915, -0.000) ( 0.304, 1.915, -0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.469) ( 0.000, 0.000, -0.469) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 9 (-11.584, 11.851, 21.981) (-11.583, 11.852, 21.983) ( 0.01, 0.01, 0.01) 248: bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) 248: angle ( -0.885, -1.619, 0.574) ( -0.885, -1.619, 0.574) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.798, 1.743, -0.296) ( 0.798, 1.743, -0.296) ( 0.00, 0.00, 0.00) 248: torsion ( -0.382, 0.135, -0.234) ( -0.382, 0.135, -0.234) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 10 (-10.930, 9.420, -22.678) (-10.929, 9.421, -22.676) ( 0.01, 0.01, 0.01) 248: bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) 248: angle ( -0.882, -1.631, -0.581) ( -0.882, -1.630, -0.581) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.799, 1.742, 0.299) ( 0.799, 1.742, 0.299) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, -0.000, -0.001) ( 0.001, -0.000, -0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 11 ( 27.570, 2.262, 0.809) ( 27.573, 2.263, 0.809) ( 0.01, 0.03, 0.05) 248: bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) 248: angle ( 0.001, 0.926, 1.618) ( 0.001, 0.926, 1.618) ( 0.00, 0.04, 0.03) 248: strbnd ( 0.305, -0.958, -1.660) ( 0.305, -0.958, -1.660) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.407, -0.235) ( -0.000, 0.407, -0.235) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 12 (-10.972, 14.917, -19.519) (-10.971, 14.918, -19.517) ( 0.01, 0.01, 0.01) 248: bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) 248: angle ( -0.889, 1.308, 1.118) ( -0.889, 1.309, 1.119) ( 0.03, 0.03, 0.02) 248: strbnd ( 0.798, -1.129, -1.364) ( 0.798, -1.129, -1.364) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 (-11.601, -24.965, 0.763) (-11.600, -24.963, 0.763) ( 0.01, 0.01, 0.05) 248: bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) 248: angle ( -0.888, 0.315, 1.704) ( -0.887, 0.315, 1.705) ( 0.03, 0.00, 0.03) 248: strbnd ( 0.799, -0.614, -1.659) ( 0.799, -0.614, -1.659) ( 0.00, 0.00, 0.00) 248: torsion ( -0.381, 0.135, -0.233) ( -0.381, 0.135, -0.233) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 10 # gradients 248: ok 11 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 250: angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) 250: strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) 250: torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) 250: oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) 250: vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) 250: electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00) 250: 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) 250: bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) 250: angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) 250: strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) 250: torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) 250: bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) 250: angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) 250: strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) 250: torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) 250: bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) 250: angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) 250: strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) 250: torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) 250: bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) 250: angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) 250: strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) 250: torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) 250: bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) 250: angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) 250: strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) 250: torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) 249: torsion ( -0.113, -0.440, 0.129) ( -0.113, -0.440, 0.129) ( 0.00, 0.01, 0.00) 249: oop ( -0.004, -0.017, 0.005) ( -0.003, -0.013, 0.004) ( 0.00, 0.01, 0.00) 249: vdw ( 5.058, -1.595, -0.879) ( 5.058, -1.595, -0.879) ( 0.00, 0.00, 0.00) 249: electro ( 0.961, -0.585, -2.896) ( 0.961, -0.585, -2.896) ( 0.00, 0.00, 0.00) 249: 7 ( 0.004, -0.006, -0.007) ( 0.009, 0.011, -0.010) ( 0.00, 0.01, 0.00) 249: bond ( -1.576, -0.689, -3.698) ( -1.575, -0.689, -3.696) ( 0.02, 0.00, 0.06) 249: angle ( -1.762, 0.781, 0.606) ( -1.762, 0.781, 0.606) ( 0.02, 0.00, 0.00) 249: strbnd ( 3.973, 2.058, 10.392) ( 3.974, 2.058, 10.392) ( 0.00, 0.00, 0.00) 249: torsion ( 0.002, 0.010, -0.003) ( 0.002, 0.010, -0.003) ( 0.00, 0.00, 0.00) 249: oop ( -0.021, -0.079, 0.024) ( -0.017, -0.062, 0.019) ( 0.01, 0.13, 0.01) 249: vdw ( -0.489, -2.014, -7.035) ( -0.489, -2.014, -7.035) ( 0.01, 0.00, 0.00) 249: electro ( -0.123, -0.073, -0.293) ( -0.123, -0.073, -0.293) ( 0.00, 0.00, 0.00) 249: 8 ( -0.014, 0.006, 0.005) ( -0.006, 0.023, 0.000) ( 0.01, 0.01, 0.00) 249: bond ( -3.952, 0.990, -0.369) ( -3.949, 0.990, -0.369) ( 0.06, 0.01, 0.00) 249: angle ( 0.055, -0.510, -1.957) ( 0.055, -0.510, -1.957) ( 0.00, 0.00, 0.02) 249: strbnd ( 10.930, -2.876, 0.597) ( 10.930, -2.875, 0.597) ( 0.00, 0.00, 0.00) 249: torsion ( 0.004, 0.013, -0.005) ( 0.004, 0.013, -0.005) ( 0.00, 0.00, 0.00) 249: oop ( -0.022, -0.078, 0.025) ( -0.017, -0.061, 0.019) ( 0.01, 0.13, 0.01) 249: vdw ( -6.710, 2.400, 1.731) ( -6.710, 2.400, 1.731) ( 0.00, 0.00, 0.01) 249: electro ( -0.319, 0.065, -0.017) ( -0.319, 0.065, -0.017) ( 0.00, 0.00, 0.00) 249: 9 ( 0.001, -0.005, -0.013) ( 0.003, 0.000, -0.012) ( 0.00, 0.00, 0.00) 249: bond ( -4.048, 5.770, 13.996) ( -4.048, 5.770, 13.999) ( 0.00, 0.01, 0.02) 249: angle ( -1.241, 0.257, -0.465) ( -1.241, 0.257, -0.465) ( 0.03, 0.00, 0.00) 249: strbnd ( 6.786, -8.639, -20.325) ( 6.786, -8.639, -20.325) ( 0.00, 0.00, 0.00) 249: torsion ( -0.124, -0.435, 0.144) ( -0.124, -0.435, 0.144) ( 0.00, 0.01, 0.00) 249: oop ( -0.005, -0.018, 0.006) ( -0.004, -0.013, 0.004) ( 0.00, 0.01, 0.00) 249: vdw ( 0.799, 1.425, 5.120) ( 0.799, 1.425, 5.120) ( 0.01, 0.00, 0.00) 249: electro ( -2.167, 1.634, 1.511) ( -2.167, 1.634, 1.511) ( 0.00, 0.00, 0.00) 249: 10 ( -0.041, -0.122, 0.031) ( -0.038, -0.116, 0.034) ( 0.01, 0.07, 0.01) 249: bond ( -3.216, -14.697, 5.117) ( -3.214, -14.692, 5.118) ( 0.06, 0.04, 0.02) 249: angle ( -7.773, 6.823, -8.945) ( -7.771, 6.824, -8.944) ( 0.02, 0.01, 0.01) 249: strbnd ( 6.282, 1.107, 3.899) ( 6.282, 1.107, 3.898) ( 0.01, 0.00, 0.01) 249: torsion ( 0.055, -0.068, 0.073) ( 0.055, -0.068, 0.073) ( 0.00, 0.00, 0.00) 249: oop ( 0.002, -0.001, -0.002) ( 0.001, -0.001, -0.002) ( 0.00, 0.00, 0.00) 249: vdw ( 2.079, 0.861, 1.042) ( 2.079, 0.861, 1.042) ( 0.00, 0.00, 0.00) 249: electro ( 2.530, 5.853, -1.152) ( 2.530, 5.853, -1.152) ( 0.00, 0.00, 0.00) 249: 11 ( -0.148, 0.096, -0.138) ( -0.138, 0.102, -0.133) ( 0.15, 0.06, 0.07) 249: bond ( -2.324, 11.771, -7.579) ( -2.317, 11.777, -7.575) ( 0.31, 0.05, 0.07) 249: angle ( -3.241, -6.144, 0.794) ( -3.239, -6.142, 0.795) ( 0.06, 0.04, 0.10) 249: strbnd ( 3.432, 4.890, -0.026) ( 3.432, 4.889, -0.026) ( 0.02, 0.02, 0.00) 249: torsion ( -0.002, 0.001, 0.002) ( -0.002, 0.001, 0.002) ( 0.00, 0.00, 0.00) 249: oop ( -0.006, 0.004, 0.007) ( -0.005, 0.003, 0.007) ( 0.00, 0.00, 0.00) 249: vdw ( 1.330, -2.187, 2.045) ( 1.330, -2.187, 2.045) ( 0.00, 0.01, 0.00) 249: electro ( 0.662, -8.239, 4.619) ( 0.662, -8.239, 4.619) ( 0.00, 0.00, 0.00) 249: 12 ( 0.104, -0.045, 0.088) ( 0.109, -0.043, 0.092) ( 0.05, 0.01, 0.04) 248: 1 (-94.849, 134.077, -232.261) (-94.840, 134.085, -232.257) ( 0.01, 0.01, 0.00) 248: bond (-98.615, 139.541, -241.698) (-98.607, 139.548, -241.694) ( 0.01, 0.01, 0.00) 248: angle (-17.077, 24.042, -41.606) (-17.076, 24.043, -41.605) ( 0.01, 0.00, 0.00) 248: strbnd ( 20.845, -29.505, 51.044) ( 20.845, -29.506, 51.044) ( 0.00, 0.00, 0.00) 248: torsion ( -0.002, -0.001, -0.002) ( -0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 2 (267.229, 1.097, -1.985) (267.239, 1.101, -1.981) ( 0.00, 0.37, 0.20) 248: bond (324.092, 0.002, 0.003) (324.102, 0.005, 0.006) ( 0.00, 0.00, 0.00) 248: angle ( -7.067, -9.049, 15.613) ( -7.066, -9.047, 15.614) ( 0.02, 0.02, 0.01) 248: strbnd (-54.347, 8.796, -15.254) (-54.349, 8.796, -15.255) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.001, -0.000) ( 0.000, 0.001, -0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 (-92.994, -251.370, -1.993) (-92.989, -251.361, -1.989) ( 0.01, 0.00, 0.20) 248: bond (-108.221, -305.529, -0.016) (-108.218, -305.520, -0.013) ( 0.00, 0.00, 0.00) 248: angle ( 10.871, 3.619, 15.618) ( 10.872, 3.621, 15.619) ( 0.01, 0.04, 0.01) 248: strbnd ( 9.840, 54.186, -15.254) ( 9.840, 54.184, -15.254) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, -0.000, 0.003) ( 0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 4 (-92.879, 127.455, 216.653) (-92.874, 127.461, 216.661) ( 0.01, 0.00, 0.00) 248: bond (-107.982, 152.791, 264.561) (-107.978, 152.795, 264.568) ( 0.00, 0.00, 0.00) 248: angle ( 10.825, -15.317, 4.617) ( 10.827, -15.315, 4.619) ( 0.01, 0.01, 0.03) 248: strbnd ( 9.798, -13.878, -54.515) ( 9.798, -13.878, -54.516) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 ( 14.020, 33.684, -0.046) ( 14.021, 33.686, -0.046) ( 0.01, 0.01, 0.00) 248: bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) 248: angle ( 2.316, 0.820, -0.007) ( 2.316, 0.820, -0.006) ( 0.02, 0.00, 0.00) 248: strbnd ( 13.869, 5.072, 0.000) ( 13.869, 5.072, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 6 ( 7.090, -16.075, 27.884) ( 7.091, -16.074, 27.886) ( 0.01, 0.01, 0.01) 248: bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) 248: angle ( 2.371, -0.399, 0.737) ( 2.371, -0.398, 0.737) ( 0.02, 0.01, 0.01) 248: strbnd ( 13.871, -2.534, 4.389) ( 13.871, -2.534, 4.389) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) 250: bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) 250: angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) 250: strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) 250: torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) 250: bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) 250: angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) 250: strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) 250: torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) 250: bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) 250: angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) 250: strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) 250: torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) 250: bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) 250: angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) 250: strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) 250: torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) 250: bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) 250: angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) 250: strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) 250: torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) 250: bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) 250: angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) 16: OK 16: Testing gen3D(3): C[C@@H]([C@@H](C(=O)O)N)O 249: bond ( 2.062, -0.697, 1.813) ( 2.066, -0.696, 1.817) ( 0.24, 0.04, 0.21) 249: angle ( 4.094, 8.524, -1.388) ( 4.094, 8.525, -1.388) ( 0.00, 0.01, 0.00) 249: strbnd ( -2.194, 1.376, -2.250) ( -2.194, 1.376, -2.250) ( 0.00, 0.01, 0.00) 249: torsion ( 0.001, -0.001, -0.001) ( 0.001, -0.001, -0.001) ( 0.00, 0.00, 0.00) 249: oop ( 0.002, -0.002, -0.003) ( 0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00) 249: vdw ( -4.811, 4.186, -5.523) ( -4.811, 4.186, -5.523) ( 0.00, 0.01, 0.00) 249: electro ( 0.951, -13.432, 7.439) ( 0.951, -13.432, 7.439) ( 0.00, 0.00, 0.00) 249: 13 ( 0.019, -0.062, 0.035) ( 0.022, -0.057, 0.038) ( 0.01, 0.03, 0.01) 249: bond ( -0.415, 6.996, -3.819) ( -0.413, 7.000, -3.818) ( 0.10, 0.06, 0.03) 249: angle ( 8.099, 0.357, 5.569) ( 8.100, 0.358, 5.570) ( 0.01, 0.02, 0.02) 249: strbnd ( -1.445, -0.164, -0.943) ( -1.445, -0.164, -0.943) ( 0.01, 0.00, 0.00) 249: torsion ( 0.096, 0.027, 0.051) ( 0.096, 0.027, 0.051) ( 0.00, 0.00, 0.00) 249: oop ( 0.002, -0.001, -0.003) ( 0.001, -0.001, -0.002) ( 0.00, 0.00, 0.00) 249: vdw ( -1.982, -2.198, -0.300) ( -1.982, -2.198, -0.300) ( 0.00, 0.00, 0.00) 249: electro ( -4.335, -5.079, -0.519) ( -4.335, -5.079, -0.519) ( 0.00, 0.00, 0.00) 249: 14 ( 0.006, 0.040, -0.035) ( 0.012, 0.045, -0.029) ( 0.00, 0.02, 0.02) 249: bond ( 2.536, -3.983, 3.794) ( 2.540, -3.979, 3.799) ( 0.17, 0.11, 0.12) 249: angle ( -4.065, 3.789, -4.804) ( -4.063, 3.791, -4.803) ( 0.05, 0.05, 0.04) 249: strbnd ( -0.833, 0.598, -0.890) ( -0.834, 0.596, -0.891) ( 0.05, 0.09, 0.05) 249: torsion ( -0.191, -0.892, 0.315) ( -0.191, -0.892, 0.315) ( 0.00, 0.01, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 6.216, 6.029, 1.376) ( 6.216, 6.029, 1.376) ( 0.00, 0.00, 0.00) 249: electro ( -3.657, -5.500, 0.174) ( -3.657, -5.500, 0.174) ( 0.00, 0.00, 0.00) 249: 15 ( -0.047, -0.022, 0.038) ( -0.042, -0.016, 0.044) ( 0.03, 0.01, 0.02) 249: bond ( -2.867, -2.743, -0.596) ( -2.863, -2.738, -0.591) ( 0.15, 0.16, 0.26) 249: angle ( 3.517, -2.080, 3.550) ( 3.519, -2.078, 3.552) ( 0.05, 0.09, 0.05) 249: strbnd ( 0.684, 0.667, 0.147) ( 0.683, 0.666, 0.146) ( 0.06, 0.04, 0.01) 249: torsion ( -1.441, 4.053, -3.064) ( -1.441, 4.053, -3.064) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.060, 0.081, 0.002) ( 0.060, 0.081, 0.002) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 16 ( -0.011, -0.078, 0.040) ( -0.010, -0.073, 0.042) ( 0.00, 0.05, 0.01) 249: bond ( -0.642, 8.502, -4.741) ( -0.642, 8.508, -4.739) ( 0.00, 0.07, 0.04) 249: angle ( -2.615, -0.955, -1.361) ( -2.614, -0.955, -1.360) ( 0.03, 0.02, 0.04) 249: strbnd ( 0.050, -9.018, 4.574) ( 0.050, -9.018, 4.574) ( 0.00, 0.00, 0.00) 249: torsion ( -0.000, 0.000, 0.000) ( -0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.486, -1.486, 1.804) ( 1.486, -1.486, 1.804) ( 0.00, 0.00, 0.00) 249: electro ( 1.710, 2.879, -0.236) ( 1.710, 2.879, -0.236) ( 0.00, 0.00, 0.00) 249: 17 ( -0.005, 0.002, -0.011) ( -0.004, 0.003, -0.007) ( 0.00, 0.00, 0.00) 249: bond ( -0.079, 0.242, 1.908) ( -0.079, 0.242, 1.911) ( 0.00, 0.00, 0.17) 249: angle ( -1.927, -2.302, 0.212) ( -1.927, -2.301, 0.212) ( 0.03, 0.03, 0.00) 249: strbnd ( 0.174, -0.470, 0.195) ( 0.174, -0.470, 0.195) ( 0.00, 0.00, 0.00) 249: torsion ( 0.269, -0.028, 0.015) ( 0.269, -0.028, 0.015) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 7 ( 14.159, -16.794, -29.238) ( 14.160, -16.793, -29.236) ( 0.01, 0.01, 0.01) 248: bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) 248: angle ( 2.378, -0.394, -0.743) ( 2.378, -0.394, -0.742) ( 0.02, 0.01, 0.01) 248: strbnd ( 13.873, -2.530, -4.384) ( 13.873, -2.530, -4.384) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.001, 0.000) ( 0.000, -0.001, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 8 ( 27.412, -19.113, -1.101) ( 27.414, -19.112, -1.100) ( 0.01, 0.00, 0.05) 248: bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) 248: angle ( -0.000, -2.447, -0.010) ( 0.000, -2.447, -0.009) ( 0.00, 0.02, 0.00) 248: strbnd ( 0.148, -14.767, -0.000) ( 0.148, -14.767, -0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 9 (-19.291, -2.738, 27.067) (-19.291, -2.737, 27.069) ( 0.00, 0.04, 0.01) 248: bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) 248: angle ( -1.157, -2.100, 0.740) ( -1.157, -2.099, 0.740) ( 0.03, 0.02, 0.01) 248: strbnd ( -7.020, -12.229, 4.389) ( -7.020, -12.229, 4.389) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 10 (-19.016, -5.032, -27.526) (-19.015, -5.031, -27.524) ( 0.00, 0.02, 0.01) 248: bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) 248: angle ( -1.152, -2.108, -0.747) ( -1.152, -2.107, -0.746) ( 0.03, 0.02, 0.01) 248: strbnd ( -7.016, -12.234, -4.385) ( -7.016, -12.234, -4.385) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, -0.000, -0.000) ( 0.001, -0.000, -0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 11 ( 27.424, 10.493, 15.999) ( 27.427, 10.494, 16.000) ( 0.01, 0.01, 0.00) 248: bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) 248: angle ( 0.001, 1.221, 2.128) ( 0.001, 1.221, 2.129) ( 0.00, 0.03, 0.02) 248: strbnd ( 0.159, 7.384, 12.785) ( 0.159, 7.384, 12.785) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 12 (-19.052, 26.348, -9.424) (-19.051, 26.349, -9.422) ( 0.00, 0.00, 0.02) 250: torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04) 250: bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) 250: angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) 250: strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) 250: torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) 250: electro ( 0.674, 0.126, 0.022) ( 0.674, 0.126, 0.022) ( 0.00, 0.00, 0.00) 250: 36 ( -1.808, 0.308, -0.348) ( -1.805, 0.309, -0.348) ( 0.20, 0.02, 0.00) 250: bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) 250: angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) 250: strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) 250: torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) 250: electro ( 0.777, -0.150, 0.089) ( 0.777, -0.150, 0.089) ( 0.00, 0.00, 0.00) 250: 37 ( -1.444, 1.619, -0.423) ( -1.443, 1.622, -0.422) ( 0.07, 0.20, 0.08) 250: bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) 250: angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) 250: strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) 250: vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) 250: electro ( -0.014, -0.594, 0.068) ( -0.014, -0.594, 0.068) ( 0.00, 0.00, 0.00) 250: 38 ( 0.288, 1.218, -0.020) ( 0.290, 1.221, -0.017) ( 0.05, 0.25, 0.01) 250: bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) 250: angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) 250: strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) 250: torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) 250: oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) 250: electro ( -1.298, 1.817, -0.456) ( -1.298, 1.817, -0.456) ( 0.00, 0.00, 0.00) 250: 39 ( 4.199, -12.580, 1.746) ( 4.207, -12.584, 1.687) ( 0.18, 0.03, 3.36) 250: bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) 250: angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) 250: strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) 250: torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) 250: oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) 250: vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) 250: electro ( -6.258, 3.484, -0.293) ( -6.258, 3.484, -0.293) ( 0.00, 0.00, 0.00) 250: ok 2 # gradients 250: ok 3 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 28: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr 248: bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) 248: angle ( -1.160, 1.692, 1.451) ( -1.160, 1.692, 1.451) ( 0.03, 0.02, 0.01) 248: strbnd ( -7.010, 9.918, 8.398) ( -7.010, 9.918, 8.398) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 (-19.294, -22.069, 15.940) (-19.293, -22.066, 15.940) ( 0.00, 0.01, 0.00) 248: bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) 248: angle ( -1.157, 0.410, 2.200) ( -1.157, 0.410, 2.200) ( 0.03, 0.00, 0.02) 248: strbnd ( -7.007, 2.322, 12.788) ( -7.007, 2.322, 12.788) ( 0.00, 0.00, 0.00) 248: torsion ( 0.002, -0.001, 0.001) ( 0.002, -0.001, 0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 12 # gradients 248: ok 13 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 249: vdw ( 1.559, 2.559, -2.340) ( 1.559, 2.559, -2.340) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 18 ( -0.013, 0.008, -0.002) ( -0.010, 0.010, -0.001) ( 0.00, 0.00, 0.00) 249: bond ( 1.600, -0.952, -0.465) ( 1.603, -0.952, -0.465) ( 0.15, 0.08, 0.01) 249: angle ( -1.585, -2.541, -0.266) ( -1.585, -2.540, -0.265) ( 0.01, 0.02, 0.01) 249: strbnd ( 0.041, -0.375, 0.383) ( 0.041, -0.375, 0.383) ( 0.00, 0.00, 0.00) 249: torsion ( 0.115, 0.081, 0.231) ( 0.115, 0.081, 0.231) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.184, 3.795, 0.115) ( -0.184, 3.795, 0.115) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 19 ( -0.003, 0.007, -0.003) ( -0.003, 0.010, -0.002) ( 0.00, 0.00, 0.00) 249: bond ( -0.011, -0.341, 0.161) ( -0.011, -0.338, 0.162) ( 0.00, 0.09, 0.01) 249: angle ( -0.425, -0.104, -0.247) ( -0.425, -0.104, -0.246) ( 0.02, 0.00, 0.01) 249: strbnd ( -0.183, -0.109, -0.074) ( -0.183, -0.109, -0.074) ( 0.00, 0.00, 0.00) 249: torsion ( -0.000, 0.000, 0.000) ( -0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.617, 0.560, 0.156) ( 0.617, 0.560, 0.156) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 20 ( 0.031, -0.017, -0.014) ( 0.033, -0.015, -0.014) ( 0.01, 0.00, 0.00) 249: bond ( -1.142, 0.665, 0.296) ( -1.140, 0.665, 0.296) ( 0.21, 0.05, 0.00) 249: angle ( -0.598, 0.006, -2.313) ( -0.598, 0.007, -2.313) ( 0.01, 0.00, 0.02) 249: strbnd ( 0.341, -0.436, -0.190) ( 0.341, -0.436, -0.190) ( 0.00, 0.00, 0.00) 249: torsion ( -0.100, -1.141, 2.178) ( -0.100, -1.141, 2.178) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.529, 0.890, 0.014) ( 1.529, 0.890, 0.014) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 21 ( 0.003, 0.010, -0.024) ( 0.003, 0.010, -0.020) ( 0.00, 0.00, 0.01) 249: bond ( 0.025, -0.167, -1.404) ( 0.025, -0.167, -1.400) ( 0.00, 0.00, 0.24) 249: angle ( -2.115, 1.092, -0.168) ( -2.114, 1.093, -0.168) ( 0.03, 0.04, 0.00) 249: strbnd ( -0.186, -0.062, 0.552) ( -0.186, -0.062, 0.552) ( 0.00, 0.00, 0.00) 249: torsion ( 1.253, -2.101, 0.273) ( 1.253, -2.101, 0.273) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.026, 1.247, 0.724) ( 1.026, 1.247, 0.724) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: ok 8 # gradients 249: ok 9 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : semdix.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 250: 1 ( 0.018, -0.341, -0.002) ( 0.027, -0.334, -0.000) ( 0.02, 0.23, 0.00) 250: bond ( 5.237, 0.172, 1.390) ( 5.245, 0.178, 1.391) ( 0.15, 0.09, 0.04) 250: angle ( -3.469, 1.277, -0.875) ( -3.468, 1.279, -0.875) ( 0.03, 0.14, 0.01) 250: strbnd ( 1.478, 0.534, 0.407) ( 1.477, 0.533, 0.407) ( 0.04, 0.03, 0.00) 250: torsion ( -0.001, -0.000, 0.002) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.604, -0.435, -0.173) ( -0.604, -0.435, -0.173) ( 0.00, 0.00, 0.00) 250: electro ( -2.623, -1.889, -0.753) ( -2.623, -1.889, -0.753) ( 0.00, 0.00, 0.00) 250: 2 ( -0.035, 0.614, -0.000) ( -0.026, 0.621, 0.002) ( 0.03, 0.42, 0.00) 250: bond ( -4.097, 4.193, -0.946) ( -4.089, 4.199, -0.946) ( 0.20, 0.13, 0.06) 250: angle ( 6.070, -3.235, 1.494) ( 6.071, -3.233, 1.494) ( 0.02, 0.06, 0.02) 250: strbnd ( -2.009, -0.344, -0.542) ( -2.010, -0.344, -0.542) ( 0.03, 0.02, 0.00) 250: torsion ( 0.001, 0.000, -0.005) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( 0.063, 0.140, 0.024) ( 0.065, 0.142, 0.025) ( 0.01, 0.04, 0.00) 250: bond ( 1.119, 1.704, 0.350) ( 1.120, 1.706, 0.350) ( 0.10, 0.15, 0.00) 250: angle ( 1.146, -0.809, 0.277) ( 1.146, -0.809, 0.277) ( 0.03, 0.02, 0.00) 250: strbnd ( -0.382, -0.759, -0.125) ( -0.382, -0.759, -0.125) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, -0.000, 0.003) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.717, -0.020, -0.190) ( -0.717, -0.020, -0.190) ( 0.00, 0.00, 0.00) 250: electro ( -1.101, 0.024, -0.290) ( -1.101, 0.024, -0.290) ( 0.00, 0.00, 0.00) 250: 4 ( -0.062, 0.129, -0.016) ( -0.061, 0.132, -0.016) ( 0.01, 0.04, 0.00) 250: bond ( 1.259, -2.407, 0.256) ( 1.260, -2.404, 0.256) ( 0.06, 0.12, 0.00) 250: angle ( 2.423, 1.342, 0.683) ( 2.423, 1.343, 0.683) ( 0.02, 0.01, 0.00) 250: strbnd ( -0.083, 0.405, -0.009) ( -0.083, 0.405, -0.009) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, 0.000, -0.004) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.868, -0.122, -0.761) ( -2.868, -0.122, -0.761) ( 0.00, 0.00, 0.00) 250: electro ( -0.793, 0.911, -0.180) ( -0.793, 0.911, -0.180) ( 0.00, 0.00, 0.00) 250: 5 ( 0.040, -0.110, 0.006) ( 0.041, -0.107, 0.006) ( 0.01, 0.03, 0.00) 250: bond ( -0.396, 0.799, -0.079) ( -0.395, 0.802, -0.079) ( 0.03, 0.24, 0.00) 250: angle ( -2.535, -1.318, -0.711) ( -2.535, -1.318, -0.711) ( 0.02, 0.01, 0.00) 250: strbnd ( 0.514, -0.809, 0.110) ( 0.514, -0.809, 0.110) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, 0.000, -0.002) ( 0.000, 0.000, -0.002) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.567, -0.187, 0.144) ( 0.567, -0.187, 0.144) ( 0.00, 0.00, 0.00) 250: electro ( 1.889, 1.405, 0.544) ( 1.889, 1.405, 0.544) ( 0.00, 0.00, 0.00) 250: 6 ( 0.390, -0.270, 0.111) ( 0.397, -0.259, 0.113) ( 0.24, 0.29, 0.02) 250: bond ( -3.396, -4.839, -1.050) ( -3.390, -4.829, -1.049) ( 0.15, 0.21, 0.05) 250: angle ( -3.250, 2.439, -0.769) ( -3.249, 2.440, -0.768) ( 0.03, 0.02, 0.06) 250: strbnd ( 0.484, 0.974, 0.159) ( 0.484, 0.974, 0.159) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, -0.000, 0.004) ( -0.001, -0.000, 0.004) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.977, 0.183, 0.792) ( 2.977, 0.183, 0.792) ( 0.00, 0.00, 0.00) 250: electro ( 3.577, 0.972, 0.975) ( 3.577, 0.972, 0.975) ( 0.00, 0.00, 0.00) 250: 7 ( -0.447, -0.202, -0.130) ( -0.443, -0.195, -0.129) ( 0.18, 0.16, 0.01) 250: bond ( 0.245, 0.341, 0.076) ( 0.249, 0.348, 0.077) ( 0.10, 0.26, 0.00) 250: angle ( -0.389, 0.299, -0.100) ( -0.389, 0.299, -0.099) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.646, 0.581, 0.189) ( 0.646, 0.581, 0.189) ( 0.00, 0.00, 0.00) 250: electro ( -0.949, -1.423, -0.296) ( -0.949, -1.423, -0.296) ( 0.00, 0.00, 0.00) 250: ok 4 # gradients 250: ok 5 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 248: 1 ( 0.188, -0.341, -0.447) ( 0.196, -0.337, -0.439) ( 0.15, 0.15, 0.35) 248: bond ( 12.215, -2.444, -2.026) ( 12.221, -2.440, -2.025) ( 0.05, 0.20, 0.04) 248: angle ( 1.031, 1.567, 0.419) ( 1.033, 1.568, 0.419) ( 0.17, 0.09, 0.01) 248: strbnd ( -0.276, 0.595, 0.200) ( -0.276, 0.595, 0.200) ( 0.00, 0.01, 0.00) 248: torsion ( 0.026, -0.060, 0.134) ( 0.026, -0.060, 0.135) ( 0.00, 0.00, 0.02) 248: oop ( -0.003, 0.011, -0.034) ( -0.003, 0.009, -0.028) ( 0.00, 0.00, 0.02) 248: vdw (-13.301, 0.238, 1.219) (-13.301, 0.238, 1.219) ( 0.00, 0.00, 0.00) 248: electro ( 0.497, -0.246, -0.360) ( 0.497, -0.246, -0.360) ( 0.00, 0.00, 0.00) 248: 2 ( 0.154, -0.533, 0.257) ( 0.159, -0.515, 0.227) ( 0.07, 0.95, 0.78) 248: bond ( 8.668, -9.202, -3.657) ( 8.674, -9.197, -3.657) ( 0.06, 0.06, 0.02) 248: angle ( 1.060, -2.236, -0.846) ( 1.061, -2.234, -0.846) ( 0.15, 0.07, 0.02) 248: strbnd ( -2.306, -0.145, 0.209) ( -2.306, -0.145, 0.209) ( 0.01, 0.00, 0.00) 248: torsion ( -0.009, -0.028, 0.128) ( -0.009, -0.028, 0.129) ( 0.00, 0.00, 0.02) 248: oop ( 0.014, -0.067, 0.198) ( 0.012, -0.056, 0.166) ( 0.00, 0.08, 0.65) 248: vdw ( -6.352, 11.522, 4.701) ( -6.352, 11.522, 4.701) ( 0.00, 0.00, 0.00) 248: electro ( -0.922, -0.376, -0.475) ( -0.922, -0.376, -0.475) ( 0.00, 0.00, 0.00) 248: 3 ( -0.038, -0.435, 0.232) ( -0.028, -0.444, 0.280) ( 0.04, 0.40, 1.12) 248: bond ( -6.462, -14.039, -4.598) ( -6.457, -14.034, -4.597) ( 0.08, 0.04, 0.02) 248: angle ( 4.729, 7.796, 2.474) ( 4.731, 7.798, 2.474) ( 0.04, 0.02, 0.01) 248: strbnd ( 3.737, -3.706, -1.522) ( 3.737, -3.707, -1.522) ( 0.00, 0.00, 0.00) 248: torsion ( 0.300, -2.114, 5.663) ( 0.300, -2.114, 5.664) ( 0.00, 0.01, 0.02) 248: oop ( -0.022, 0.095, -0.277) ( -0.019, 0.079, -0.231) ( 0.01, 0.15, 1.28) 248: vdw ( -2.173, 13.069, 0.311) ( -2.172, 13.069, 0.311) ( 0.01, 0.00, 0.00) 248: electro ( -0.148, -1.535, -1.819) ( -0.148, -1.535, -1.819) ( 0.00, 0.00, 0.00) 248: 4 ( 0.395, 0.197, 0.303) ( 0.400, 0.409, 0.172) ( 0.21, 4.17, 3.96) 248: bond ( -4.734, 2.347, 1.095) ( -4.729, 2.352, 1.096) ( 0.11, 0.20, 0.07) 248: angle (-10.062, -2.611, 4.140) (-10.060, -2.609, 4.140) ( 0.02, 0.07, 0.01) 248: strbnd ( 3.811, 0.602, 0.274) ( 3.811, 0.601, 0.274) ( 0.00, 0.01, 0.00) 248: torsion ( -0.109, 2.386, -1.969) ( -0.109, 2.387, -1.968) ( 0.00, 0.01, 0.06) 248: oop ( 0.013, -1.116, 0.755) ( 0.011, -0.910, 0.622) ( 0.00, 18.44, 10.07) 248: vdw ( 9.138, -2.304, -5.262) ( 9.139, -2.304, -5.262) ( 0.00, 0.00, 0.00) 248: electro ( 2.337, 0.892, 1.269) ( 2.337, 0.892, 1.269) ( 0.00, 0.00, 0.00) 248: 5 ( 0.329, -0.092, -0.786) ( 0.325, -0.035, -0.926) ( 0.14, 0.53, 10.94) 248: bond ( -9.877, 12.321, 6.024) ( -9.872, 12.326, 6.025) ( 0.05, 0.04, 0.01) 248: angle ( 0.777, -3.545, -1.191) ( 0.779, -3.544, -1.191) ( 0.13, 0.04, 0.02) 248: strbnd ( 3.218, 2.140, 0.609) ( 3.218, 2.140, 0.609) ( 0.01, 0.01, 0.00) 248: torsion ( 0.010, 0.739, -2.169) ( 0.010, 0.739, -2.168) ( 0.00, 0.01, 0.06) 248: oop ( 0.069, -0.304, 0.854) ( 0.058, -0.253, 0.713) ( 0.08, 1.53, 12.07) 248: vdw ( 4.433, -11.904, -4.594) ( 4.433, -11.904, -4.594) ( 0.00, 0.00, 0.00) 248: electro ( 1.700, 0.460, -0.319) ( 1.700, 0.460, -0.319) ( 0.00, 0.00, 0.00) 248: 6 ( 0.290, 0.013, -0.920) ( 0.298, 0.013, -0.902) ( 0.24, 0.00, 1.63) 248: bond ( 10.935, 11.123, 2.675) ( 10.940, 11.128, 2.676) ( 0.05, 0.04, 0.03) 248: angle ( -1.841, 0.246, 0.285) ( -1.839, 0.247, 0.285) ( 0.09, 0.04, 0.01) 248: strbnd ( -0.658, 0.437, 0.063) ( -0.658, 0.437, 0.063) ( 0.01, 0.01, 0.00) 249: 1 ( -0.039, -0.073, 0.047) ( -0.036, -0.064, 0.051) ( 0.01, 0.06, 0.02) 249: bond ( -7.512, 1.783, -2.223) ( -7.509, 1.791, -2.220) ( 0.04, 0.44, 0.14) 249: angle ( 9.520, 8.593, 6.171) ( 9.521, 8.594, 6.173) ( 0.01, 0.01, 0.03) 249: strbnd (-12.566, 3.932, -2.829) (-12.567, 3.932, -2.830) ( 0.00, 0.01, 0.02) 249: torsion ( 0.272, 0.999, -0.774) ( 0.272, 0.999, -0.774) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 8.163, -13.337, -0.869) ( 8.163, -13.337, -0.869) ( 0.00, 0.00, 0.00) 249: electro ( 2.084, -2.043, 0.571) ( 2.084, -2.043, 0.571) ( 0.00, 0.00, 0.00) 249: 2 ( -0.001, -0.011, 0.004) ( 0.000, -0.009, 0.007) ( 0.00, 0.00, 0.00) 249: bond ( 0.455, 0.358, -0.667) ( 0.457, 0.359, -0.665) ( 0.05, 0.03, 0.16) 249: angle ( 4.611, -3.755, 1.139) ( 4.612, -3.754, 1.139) ( 0.01, 0.02, 0.02) 249: strbnd ( -0.238, 1.721, 0.675) ( -0.238, 1.720, 0.675) ( 0.00, 0.00, 0.01) 249: torsion ( 0.420, -0.286, 0.134) ( 0.420, -0.286, 0.134) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 3.879, -9.651, 0.860) ( 3.879, -9.651, 0.860) ( 0.00, 0.00, 0.00) 249: electro ( -9.129, 11.602, -2.137) ( -9.129, 11.602, -2.137) ( 0.00, 0.00, 0.00) 249: 3 ( 0.003, -0.013, 0.006) ( 0.004, -0.007, 0.006) ( 0.00, 0.01, 0.00) 249: bond ( 0.045, -0.386, -0.051) ( 0.045, -0.380, -0.051) ( 0.00, 0.23, 0.00) 249: angle ( -3.619, -0.541, 0.864) ( -3.619, -0.541, 0.864) ( 0.02, 0.00, 0.03) 249: strbnd ( -0.660, 0.252, -0.120) ( -0.660, 0.252, -0.120) ( 0.00, 0.00, 0.00) 249: torsion ( -0.212, -0.151, 0.948) ( -0.212, -0.151, 0.948) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.344, -0.504, 0.445) ( 1.344, -0.504, 0.445) ( 0.00, 0.00, 0.00) 249: electro ( 3.105, 1.317, -2.081) ( 3.105, 1.317, -2.081) ( 0.00, 0.00, 0.00) 249: 4 ( 0.044, 0.056, -0.067) ( 0.045, 0.058, -0.063) ( 0.01, 0.01, 0.02) 249: bond ( -0.400, -0.524, 0.650) ( -0.398, -0.522, 0.653) ( 0.04, 0.10, 0.20) 249: angle ( -5.854, 2.869, -1.277) ( -5.853, 2.870, -1.277) ( 0.01, 0.01, 0.01) 249: strbnd ( -1.135, -0.538, 0.610) ( -1.135, -0.538, 0.610) ( 0.01, 0.01, 0.01) 249: torsion ( 0.032, -0.698, -0.538) ( 0.032, -0.698, -0.538) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 10.552, -8.215, 3.363) ( 10.552, -8.215, 3.363) ( 0.00, 0.00, 0.00) 249: electro ( -3.151, 7.161, -2.875) ( -3.151, 7.161, -2.875) ( 0.00, 0.00, 0.00) 249: 5 ( -0.016, -0.032, -0.036) ( -0.011, -0.028, -0.031) ( 0.01, 0.02, 0.02) 249: bond ( 8.665, -5.869, -2.407) ( 8.668, -5.866, -2.405) ( 0.03, 0.04, 0.11) 249: angle ( 14.891, -11.135, -0.108) ( 14.893, -11.133, -0.105) ( 0.02, 0.02, 0.03) 249: strbnd ( -4.622, 7.292, -0.077) ( -4.623, 7.291, -0.078) ( 0.02, 0.01, 0.01) 249: torsion ( 0.115, -0.478, 0.649) ( 0.115, -0.478, 0.649) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.615, -0.366, 0.687) ( 0.615, -0.366, 0.687) ( 0.00, 0.00, 0.00) 249: electro (-19.678, 10.524, 1.221) (-19.678, 10.524, 1.221) ( 0.00, 0.00, 0.00) 249: 6 ( -0.030, 0.012, 0.002) ( -0.026, 0.016, 0.008) ( 0.01, 0.01, 0.00) 249: bond ( -5.107, 28.856, -3.817) ( -5.104, 28.859, -3.812) ( 0.06, 0.01, 0.13) 249: angle (-16.294, -14.070, -0.576) (-16.291, -14.068, -0.574) ( 0.02, 0.02, 0.12) 249: strbnd ( 14.404, -7.085, 3.027) ( 14.402, -7.086, 3.026) ( 0.01, 0.01, 0.02) 16: OK 16: Testing gen3D(3): [C@@H]([C@H](C(=O)O)O)(C(=O)O)O 250: 1 ( -0.272, 0.975, -1.711) ( -0.266, 0.978, -1.706) ( 0.14, 0.26, 0.24) 250: bond ( 4.786, 0.643, -1.120) ( 4.790, 0.648, -1.116) ( 0.08, 0.30, 0.40) 250: angle ( -4.248, -1.205, 2.065) ( -4.246, -1.204, 2.067) ( 0.04, 0.13, 0.09) 250: strbnd ( 1.309, 0.175, -0.296) ( 1.308, 0.175, -0.297) ( 0.05, 0.01, 0.02) 250: torsion ( -0.109, 0.451, -0.803) ( -0.109, 0.451, -0.803) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.019, 0.011) ( -0.000, 0.016, 0.009) ( 0.00, 0.01, 0.00) 250: vdw ( -0.992, 0.534, -0.937) ( -0.992, 0.534, -0.937) ( 0.00, 0.00, 0.00) 250: electro ( -1.018, 0.358, -0.630) ( -1.018, 0.358, -0.630) ( 0.00, 0.00, 0.00) 250: 2 ( 0.141, -0.327, 0.169) ( 0.149, -0.299, 0.191) ( 0.11, 0.92, 0.37) 250: bond ( -6.313, 3.829, -6.633) ( -6.307, 3.832, -6.625) ( 0.09, 0.07, 0.12) 250: angle ( 14.795, 1.490, -2.461) ( 14.798, 1.491, -2.460) ( 0.02, 0.05, 0.06) 250: strbnd ( -8.362, -5.365, 9.214) ( -8.362, -5.366, 9.212) ( 0.01, 0.01, 0.02) 250: torsion ( 0.021, -0.143, 0.129) ( 0.021, -0.143, 0.129) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.137, -0.079) ( -0.000, -0.113, -0.065) ( 0.00, 0.34, 0.11) 250: vdw ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( -0.084, -0.016, 0.020) ( -0.082, -0.019, 0.022) ( 0.02, 0.00, 0.01) 250: bond ( -1.795, -1.762, 3.022) ( -1.793, -1.760, 3.028) ( 0.11, 0.11, 0.18) 250: angle ( -8.883, 2.272, -3.938) ( -8.882, 2.272, -3.938) ( 0.01, 0.00, 0.00) 250: strbnd ( 5.080, 5.487, -9.440) ( 5.080, 5.487, -9.440) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, -0.057, -0.033) ( 0.000, -0.056, -0.033) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.025, 0.014) ( -0.000, 0.020, 0.012) ( 0.00, 0.01, 0.00) 250: vdw ( 2.113, 0.148, -0.250) ( 2.113, 0.148, -0.250) ( 0.00, 0.00, 0.00) 250: electro ( 3.400, -6.130, 10.644) ( 3.400, -6.130, 10.644) ( 0.00, 0.00, 0.00) 250: 4 ( -0.054, 0.575, 0.361) ( -0.045, 0.530, 0.340) ( 0.05, 2.57, 0.74) 250: bond ( 1.797, -0.285, 0.335) ( 1.804, -0.284, 0.341) ( 0.39, 0.05, 0.18) 250: angle ( -6.314, 1.453, -2.828) ( -6.313, 1.453, -2.827) ( 0.03, 0.02, 0.04) 250: strbnd ( 0.607, -1.012, 1.791) ( 0.607, -1.012, 1.791) ( 0.01, 0.01, 0.02) 250: torsion ( 0.002, 0.488, 0.281) ( 0.002, 0.488, 0.281) ( 0.00, 0.02, 0.00) 250: oop ( -0.000, 0.284, 0.162) ( -0.000, 0.237, 0.135) ( 0.00, 1.33, 0.44) 250: vdw ( 3.855, -0.353, 0.619) ( 3.855, -0.353, 0.619) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 ( 0.018, -0.203, -0.165) ( 0.019, -0.184, -0.152) ( 0.00, 0.39, 0.22) 250: bond ( -2.157, -2.229, 3.948) ( -2.156, -2.228, 3.951) ( 0.04, 0.04, 0.08) 250: angle ( -0.484, 0.182, -0.161) ( -0.483, 0.182, -0.161) ( 0.03, 0.00, 0.00) 250: strbnd ( 0.577, 0.505, -0.902) ( 0.577, 0.505, -0.902) ( 0.00, 0.00, 0.00) 250: torsion ( -0.003, -0.219, -0.125) ( -0.003, -0.219, -0.125) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.099, -0.056) ( -0.000, -0.081, -0.046) ( 0.00, 0.18, 0.06) 250: vdw ( 1.088, -0.556, 0.972) ( 1.088, -0.556, 0.972) ( 0.00, 0.00, 0.00) 250: electro ( 0.996, 2.213, -3.840) ( 0.996, 2.213, -3.840) ( 0.00, 0.00, 0.00) 250: 6 ( 0.023, -0.205, -0.126) ( 0.027, -0.191, -0.117) ( 0.01, 0.28, 0.10) 250: bond ( 3.250, 0.122, -0.167) ( 3.255, 0.122, -0.167) ( 0.15, 0.00, 0.00) 250: angle ( 0.458, -3.605, 6.307) ( 0.458, -3.605, 6.308) ( 0.00, 0.00, 0.01) 250: strbnd ( -0.266, -0.042, 0.065) ( -0.266, -0.042, 0.065) ( 0.00, 0.00, 0.00) 249: torsion ( 0.382, -0.345, 0.073) ( 0.382, -0.345, 0.073) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 6.585, -7.344, 1.295) ( 6.585, -7.344, 1.295) ( 0.00, 0.00, 0.01) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 7 ( -0.008, 0.056, 0.024) ( -0.002, 0.062, 0.028) ( 0.00, 0.03, 0.01) 249: bond (-17.495, -2.527, 22.456) (-17.491, -2.523, 22.459) ( 0.02, 0.17, 0.01) 249: angle ( 6.906, 4.793, -20.315) ( 6.908, 4.795, -20.313) ( 0.03, 0.05, 0.01) 249: strbnd ( -0.312, 0.860, -1.629) ( -0.313, 0.860, -1.630) ( 0.02, 0.06, 0.07) 249: torsion ( 0.078, 0.540, 0.603) ( 0.078, 0.540, 0.603) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.365, 6.410, -7.993) ( 0.365, 6.411, -7.993) ( 0.01, 0.00, 0.00) 249: electro ( 10.449, -10.021, 6.902) ( 10.449, -10.021, 6.902) ( 0.00, 0.00, 0.00) 249: 8 ( -0.016, 0.021, 0.017) ( -0.011, 0.026, 0.023) ( 0.01, 0.01, 0.01) 249: bond ( 5.818, -7.958, 2.136) ( 5.822, -7.954, 2.140) ( 0.08, 0.05, 0.20) 249: angle ( -9.508, 5.167, 2.401) ( -9.507, 5.169, 2.402) ( 0.02, 0.04, 0.07) 249: strbnd ( -1.075, -2.063, 3.999) ( -1.075, -2.064, 3.999) ( 0.05, 0.04, 0.01) 249: torsion ( 1.216, 0.373, -0.759) ( 1.216, 0.373, -0.759) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 3.533, 4.502, -7.760) ( 3.533, 4.502, -7.760) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 9 ( -0.034, 0.039, 0.014) ( -0.028, 0.044, 0.018) ( 0.02, 0.02, 0.01) 249: bond (-10.691, -17.476, -11.199) (-10.687, -17.472, -11.195) ( 0.04, 0.02, 0.03) 249: angle ( 6.844, 25.523, 4.420) ( 6.847, 25.525, 4.423) ( 0.03, 0.01, 0.05) 249: strbnd ( -0.703, -2.771, 2.914) ( -0.704, -2.772, 2.913) ( 0.03, 0.03, 0.04) 249: torsion ( -1.271, 0.298, -0.007) ( -1.271, 0.298, -0.007) ( 0.01, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.611, 6.133, 7.845) ( -0.611, 6.133, 7.845) ( 0.01, 0.00, 0.00) 249: electro ( 6.398, -11.668, -3.961) ( 6.398, -11.668, -3.961) ( 0.00, 0.00, 0.00) 249: 10 ( -0.043, 0.023, -0.058) ( -0.037, 0.029, -0.053) ( 0.03, 0.01, 0.03) 249: bond ( 2.273, 4.210, -7.157) ( 2.278, 4.215, -7.153) ( 0.20, 0.11, 0.06) 249: angle ( -4.782, -9.381, 5.110) ( -4.780, -9.380, 5.112) ( 0.04, 0.02, 0.04) 249: strbnd ( -0.590, -1.767, -5.703) ( -0.590, -1.768, -5.704) ( 0.03, 0.02, 0.02) 249: torsion ( 0.624, 0.972, 0.410) ( 0.624, 0.972, 0.410) ( 0.00, 0.01, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.432, 5.989, 7.283) ( 2.432, 5.989, 7.283) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 11 ( 0.006, -0.014, 0.008) ( 0.010, -0.008, 0.014) ( 0.00, 0.01, 0.00) 249: bond ( 18.679, -2.807, -6.521) ( 18.682, -2.803, -6.517) ( 0.02, 0.16, 0.07) 249: angle (-21.205, 14.183, 9.289) (-21.203, 14.185, 9.291) ( 0.01, 0.01, 0.02) 249: strbnd ( 1.878, -2.321, -3.338) ( 1.877, -2.322, -3.338) ( 0.08, 0.02, 0.02) 249: torsion ( 0.229, -0.649, -0.324) ( 0.229, -0.649, -0.324) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -9.496, -1.546, -1.456) ( -9.496, -1.546, -1.456) ( 0.00, 0.01, 0.01) 249: electro ( 9.922, -6.874, 2.359) ( 9.922, -6.874, 2.359) ( 0.00, 0.00, 0.00) 249: 12 ( -0.001, 0.032, 0.005) ( 0.005, 0.038, 0.010) ( 0.00, 0.02, 0.00) 248: torsion ( -0.004, 0.151, -0.129) ( -0.004, 0.151, -0.128) ( 0.00, 0.00, 0.02) 248: oop ( -0.010, 0.040, -0.102) ( -0.008, 0.034, -0.087) ( 0.00, 0.03, 0.16) 248: vdw ( -7.809, -11.860, -3.494) ( -7.809, -11.860, -3.494) ( 0.00, 0.00, 0.00) 248: electro ( -0.323, -0.125, -0.217) ( -0.323, -0.125, -0.217) ( 0.00, 0.00, 0.00) 248: 7 ( -0.284, -0.843, -2.698) ( -0.304, -1.685, -2.039) ( 0.58, 70.96, 24.42) 248: bond ( -8.014, 7.203, 10.301) ( -8.008, 7.206, 10.304) ( 0.07, 0.04, 0.04) 248: angle ( 23.571, -6.002, -12.520) ( 23.573, -6.000, -12.519) ( 0.01, 0.02, 0.01) 248: strbnd ( -5.963, 1.001, 0.741) ( -5.964, 1.001, 0.741) ( 0.01, 0.02, 0.02) 248: torsion ( -2.504, -12.743, 5.344) ( -2.504, -12.742, 5.344) ( 0.00, 0.00, 0.01) 248: oop ( 0.288, 5.178, -4.155) ( 0.261, 4.331, -3.501) ( 0.80, 16.35, 15.74) 248: vdw ( -1.708, 5.497, -2.750) ( -1.708, 5.497, -2.750) ( 0.01, 0.00, 0.00) 248: electro ( -5.954, -0.978, 0.342) ( -5.954, -0.978, 0.342) ( 0.00, 0.00, 0.00) 248: 8 ( -2.332, 4.648, 9.846) ( -2.311, 5.541, 9.465) ( 0.92, 19.20, 3.87) 248: bond ( 7.906, 3.155, 6.283) ( 7.911, 3.158, 6.291) ( 0.07, 0.08, 0.13) 248: angle (-11.927, 11.968, 23.696) (-11.925, 11.969, 23.697) ( 0.02, 0.01, 0.01) 248: strbnd ( -0.172, -3.227, -7.634) ( -0.173, -3.227, -7.635) ( 0.02, 0.01, 0.01) 248: torsion ( -1.724, 6.797, -17.832) ( -1.724, 6.797, -17.832) ( 0.00, 0.01, 0.00) 248: oop ( -0.107, -5.155, 2.589) ( -0.093, -4.267, 2.199) ( 0.16, 17.23, 15.06) 248: vdw ( 4.239, -5.387, 2.000) ( 4.239, -5.387, 2.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.546, -3.502, 0.745) ( -0.546, -3.502, 0.745) ( 0.00, 0.00, 0.00) 248: 9 ( 2.586, -3.839, -7.626) ( 2.603, -4.121, -7.463) ( 0.65, 7.34, 2.13) 248: bond ( 6.677, -9.432, -17.814) ( 6.678, -9.430, -17.808) ( 0.01, 0.02, 0.03) 248: angle ( -3.223, -0.345, -1.026) ( -3.222, -0.345, -1.026) ( 0.03, 0.00, 0.01) 248: strbnd ( -3.032, 4.056, 7.810) ( -3.032, 4.056, 7.810) ( 0.01, 0.00, 0.00) 248: torsion ( -0.306, 6.009, -3.297) ( -0.306, 6.009, -3.297) ( 0.00, 0.00, 0.00) 248: oop ( -0.071, 1.455, -0.797) ( -0.056, 1.171, -0.641) ( 0.11, 19.52, 12.44) 248: vdw ( 7.280, -5.048, 11.866) ( 7.280, -5.048, 11.866) ( 0.00, 0.00, 0.00) 248: electro ( -4.739, -0.534, -4.368) ( -4.739, -0.534, -4.368) ( 0.00, 0.00, 0.00) 248: 10 ( 1.000, -0.547, -0.386) ( 0.966, -0.774, -0.726) ( 3.43, 12.41, 13.13) 248: bond ( 9.695, 23.920, -3.884) ( 9.701, 23.924, -3.884) ( 0.06, 0.02, 0.01) 248: angle (-15.143, -13.685, -10.389) (-15.141, -13.683, -10.388) ( 0.01, 0.01, 0.01) 248: strbnd ( 1.542, -11.914, 0.169) ( 1.542, -11.915, 0.169) ( 0.03, 0.01, 0.00) 248: torsion ( 1.960, -0.605, 10.880) ( 1.960, -0.605, 10.881) ( 0.00, 0.01, 0.01) 248: oop ( 0.202, 1.528, 1.715) ( 0.161, 1.295, 1.373) ( 0.83, 15.24, 19.96) 248: vdw ( 3.415, 0.682, 1.760) ( 3.415, 0.682, 1.760) ( 0.00, 0.01, 0.00) 248: electro ( -0.671, -0.472, -0.637) ( -0.671, -0.472, -0.637) ( 0.00, 0.00, 0.00) 248: 11 ( -0.171, -0.241, -0.542) ( -0.163, -0.080, 0.005) ( 0.12, 3.88, 29.65) 248: bond (-13.094, -5.115, -0.788) (-13.089, -5.111, -0.787) ( 0.04, 0.09, 0.05) 248: angle ( -2.503, 4.242, 11.159) ( -2.501, 4.244, 11.160) ( 0.09, 0.05, 0.00) 248: strbnd ( 10.155, 7.918, -0.812) ( 10.154, 7.917, -0.812) ( 0.01, 0.01, 0.01) 248: torsion ( 1.046, -1.903, -2.449) ( 1.046, -1.903, -2.448) ( 0.00, 0.00, 0.02) 248: oop ( -0.039, -0.779, -2.945) ( -0.038, -0.624, -2.400) ( 0.00, 12.08, 18.52) 248: vdw ( -0.018, -4.278, -1.767) ( -0.018, -4.278, -1.767) ( 0.00, 0.00, 0.00) 248: electro ( 4.282, -0.325, -2.941) ( 4.282, -0.325, -2.941) ( 0.00, 0.00, 0.00) 248: 12 ( 0.049, -0.113, -0.121) ( 0.055, -0.145, -0.246) ( 0.03, 0.36, 1.51) 250: torsion ( 0.001, -0.154, -0.090) ( 0.001, -0.153, -0.090) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, -0.093, -0.053) ( 0.001, -0.079, -0.045) ( 0.00, 0.13, 0.04) 250: vdw ( -0.044, 0.008, -0.015) ( -0.044, 0.008, -0.015) ( 0.00, 0.00, 0.00) 250: electro ( -3.378, 3.559, -6.174) ( -3.378, 3.559, -6.174) ( 0.00, 0.00, 0.00) 250: 7 ( 0.008, -0.187, 0.604) ( 0.009, -0.184, 0.605) ( 0.00, 0.06, 0.03) 250: bond ( 0.021, 0.069, -0.002) ( 0.021, 0.073, -0.002) ( 0.00, 0.02, 0.00) 250: angle ( 1.553, -0.437, 0.860) ( 1.553, -0.437, 0.860) ( 0.03, 0.00, 0.04) 250: strbnd ( 0.368, 0.645, -0.047) ( 0.368, 0.645, -0.047) ( 0.00, 0.00, 0.00) 250: torsion ( 0.043, -0.004, 0.425) ( 0.043, -0.004, 0.425) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.977, -0.460, -0.633) ( -1.977, -0.460, -0.633) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 8 ( 0.007, -0.431, 0.471) ( 0.008, -0.429, 0.474) ( 0.00, 0.05, 0.12) 250: bond ( 0.017, -0.029, -0.055) ( 0.018, -0.028, -0.053) ( 0.00, 0.00, 0.01) 250: angle ( 1.567, -0.533, 0.815) ( 1.568, -0.532, 0.815) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.370, -0.276, -0.582) ( 0.370, -0.276, -0.582) ( 0.00, 0.00, 0.00) 250: torsion ( 0.044, -0.368, 0.213) ( 0.044, -0.368, 0.213) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.992, 0.775, 0.081) ( -1.992, 0.775, 0.081) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 9 ( 0.179, -0.203, 0.341) ( 0.180, -0.202, 0.343) ( 0.02, 0.02, 0.08) 250: bond ( 0.367, -0.375, 0.641) ( 0.368, -0.374, 0.643) ( 0.02, 0.03, 0.13) 250: angle ( 1.546, 0.380, -0.664) ( 1.547, 0.380, -0.664) ( 0.03, 0.01, 0.01) 250: strbnd ( 0.317, -0.116, 0.199) ( 0.317, -0.116, 0.199) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, 0.005, 0.003) ( -0.000, 0.005, 0.003) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.052, -0.097, 0.162) ( -2.052, -0.097, 0.162) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 6 # gradients 250: ok 7 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 29: 137 249: bond ( 1.992, 4.956, 6.984) ( 1.996, 4.961, 6.989) ( 0.21, 0.09, 0.06) 249: angle ( 3.962, -6.006, -8.362) ( 3.964, -6.004, -8.360) ( 0.04, 0.03, 0.02) 249: strbnd ( 4.498, 2.135, 1.871) ( 4.497, 2.135, 1.870) ( 0.01, 0.03, 0.04) 249: torsion ( -1.062, 0.377, 0.291) ( -1.062, 0.377, 0.291) ( 0.01, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -9.391, -1.430, -0.779) ( -9.391, -1.430, -0.779) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 13 ( 0.009, 0.002, 0.000) ( 0.010, 0.004, 0.003) ( 0.00, 0.00, 0.00) 249: bond ( 0.237, 0.694, 1.067) ( 0.237, 0.695, 1.069) ( 0.00, 0.07, 0.22) 249: angle ( -2.166, 2.271, -0.996) ( -2.166, 2.271, -0.996) ( 0.03, 0.02, 0.02) 249: strbnd ( -0.528, 2.326, -1.506) ( -0.528, 2.326, -1.506) ( 0.00, 0.00, 0.00) 249: torsion ( -0.333, 0.625, -0.333) ( -0.333, 0.625, -0.333) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.799, -5.914, 1.768) ( 2.799, -5.914, 1.768) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 14 ( 0.001, -0.041, -0.025) ( 0.002, -0.038, -0.023) ( 0.00, 0.01, 0.00) 249: bond ( 0.121, 0.978, 0.855) ( 0.121, 0.980, 0.856) ( 0.00, 0.19, 0.12) 249: angle ( -0.835, -2.814, 3.339) ( -0.835, -2.814, 3.339) ( 0.04, 0.01, 0.01) 249: strbnd ( -1.501, -1.444, 1.827) ( -1.501, -1.444, 1.827) ( 0.00, 0.00, 0.00) 249: torsion ( -0.525, 0.316, -0.288) ( -0.525, 0.316, -0.288) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.741, 2.922, -5.758) ( 2.741, 2.922, -5.758) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 15 ( -0.009, -0.007, -0.008) ( -0.006, -0.006, -0.008) ( 0.00, 0.00, 0.00) 249: bond ( 2.025, 0.488, 0.203) ( 2.028, 0.489, 0.203) ( 0.16, 0.01, 0.00) 249: angle ( 0.918, -6.276, 5.935) ( 0.918, -6.276, 5.935) ( 0.00, 0.01, 0.01) 249: strbnd ( 0.315, -0.157, 2.848) ( 0.315, -0.157, 2.848) ( 0.00, 0.00, 0.00) 249: torsion ( 0.156, -0.632, -0.038) ( 0.156, -0.632, -0.038) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -3.424, 6.571, -8.956) ( -3.423, 6.571, -8.956) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 16 ( 0.004, -0.019, -0.010) ( 0.005, -0.017, -0.009) ( 0.00, 0.00, 0.00) 249: bond ( -0.003, -0.033, -0.027) ( -0.003, -0.031, -0.026) ( 0.00, 0.01, 0.00) 249: angle ( 0.672, -2.508, 2.974) ( 0.672, -2.507, 2.974) ( 0.03, 0.01, 0.01) 249: strbnd ( 0.326, -0.072, 0.486) ( 0.326, -0.072, 0.486) ( 0.00, 0.00, 0.00) 249: torsion ( -0.349, -0.122, 0.183) ( -0.349, -0.122, 0.183) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.641, 2.715, -3.627) ( -0.641, 2.716, -3.627) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 17 ( -0.002, -0.006, -0.010) ( -0.001, -0.005, -0.007) ( 0.00, 0.00, 0.00) 249: bond ( -0.770, -0.513, 1.530) ( -0.769, -0.513, 1.533) ( 0.05, 0.01, 0.16) 249: angle ( 0.484, -0.101, 0.210) ( 0.485, -0.100, 0.210) ( 0.02, 0.00, 0.00) 249: strbnd ( 0.903, -0.019, -1.089) ( 0.903, -0.019, -1.089) ( 0.00, 0.00, 0.00) 249: torsion ( -0.167, -0.152, -0.135) ( -0.167, -0.152, -0.135) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: bond ( -6.964, 10.847, -2.041) ( -6.957, 10.853, -2.041) ( 0.09, 0.05, 0.02) 248: angle ( 3.466, -18.735, 1.444) ( 3.468, -18.732, 1.444) ( 0.06, 0.01, 0.03) 248: strbnd ( 5.241, 10.045, -1.635) ( 5.240, 10.043, -1.635) ( 0.02, 0.01, 0.00) 248: torsion ( -0.277, -0.199, 0.243) ( -0.277, -0.199, 0.244) ( 0.00, 0.00, 0.02) 248: oop ( -0.002, 0.243, 0.879) ( -0.003, 0.205, 0.753) ( 0.00, 0.94, 11.08) 248: vdw ( -1.680, -2.461, 0.754) ( -1.680, -2.461, 0.754) ( 0.00, 0.00, 0.00) 248: electro ( 0.266, 0.147, 0.236) ( 0.266, 0.147, 0.236) ( 0.00, 0.00, 0.00) 248: 13 ( -1.916, 4.711, -0.986) ( -1.911, 4.727, -0.929) ( 0.21, 0.35, 5.65) 248: bond ( -0.615, 7.046, -1.142) ( -0.607, 7.052, -1.141) ( 0.46, 0.08, 0.02) 248: angle ( 9.671, -9.830, 1.897) ( 9.673, -9.828, 1.897) ( 0.02, 0.02, 0.00) 248: strbnd ( 1.450, -2.787, 0.428) ( 1.450, -2.788, 0.428) ( 0.05, 0.05, 0.00) 248: torsion ( -0.027, 0.521, -1.869) ( -0.027, 0.521, -1.868) ( 0.00, 0.00, 0.05) 248: oop ( 0.024, -0.050, -0.214) ( 0.019, -0.041, -0.158) ( 0.01, 0.05, 1.20) 248: vdw (-11.109, 9.890, 1.556) (-11.109, 9.890, 1.556) ( 0.00, 0.00, 0.00) 248: electro ( -1.309, -0.078, -1.642) ( -1.309, -0.078, -1.642) ( 0.00, 0.00, 0.00) 248: 14 ( 6.713, -5.411, 0.328) ( 6.722, -5.394, 0.357) ( 0.13, 0.31, 0.96) 248: bond (-12.462, -21.961, 0.624) (-12.457, -21.955, 0.624) ( 0.04, 0.02, 0.01) 248: angle ( 21.478, 16.756, -1.059) ( 21.481, 16.758, -1.059) ( 0.01, 0.01, 0.00) 248: strbnd ( -5.263, -1.582, -0.270) ( -5.263, -1.582, -0.270) ( 0.01, 0.03, 0.00) 248: torsion ( -0.035, -0.626, 1.222) ( -0.035, -0.626, 1.223) ( 0.00, 0.00, 0.11) 248: oop ( 0.004, -0.049, -0.081) ( 0.005, -0.039, -0.053) ( 0.00, 0.05, 0.23) 248: vdw ( 2.604, 2.443, 0.387) ( 2.604, 2.443, 0.387) ( 0.00, 0.00, 0.00) 248: electro ( 0.386, -0.392, -0.495) ( 0.386, -0.392, -0.495) ( 0.00, 0.00, 0.00) 248: 15 ( -5.129, 0.613, -0.625) ( -5.079, 0.616, -0.328) ( 0.97, 0.16, 18.57) 248: bond ( 11.061, 5.919, -3.067) ( 11.066, 5.923, -3.067) ( 0.04, 0.08, 0.01) 248: angle (-12.299, -15.141, -0.481) (-12.297, -15.140, -0.481) ( 0.02, 0.01, 0.00) 248: strbnd ( -3.290, 0.620, 0.718) ( -3.290, 0.620, 0.718) ( 0.00, 0.01, 0.00) 248: torsion ( -0.712, -0.073, 3.004) ( -0.712, -0.073, 3.005) ( 0.00, 0.00, 0.05) 248: oop ( -0.261, 0.034, -1.913) ( -0.218, 0.030, -1.617) ( 1.11, 0.01, 15.44) 248: vdw ( 0.370, 9.262, 0.830) ( 0.370, 9.262, 0.830) ( 0.00, 0.00, 0.00) 248: electro ( 0.002, -0.007, 0.283) ( 0.002, -0.007, 0.283) ( 0.00, 0.00, 0.00) 248: 16 ( -0.296, 0.185, 0.933) ( -0.303, 0.195, 0.800) ( 0.21, 0.19, 12.45) 248: bond ( 14.452, -16.403, -3.890) ( 14.458, -16.398, -3.890) ( 0.04, 0.03, 0.01) 248: angle (-10.953, 5.321, 1.176) (-10.951, 5.322, 1.176) ( 0.02, 0.03, 0.00) 248: strbnd ( 6.693, 8.480, -0.639) ( 6.693, 8.479, -0.639) ( 0.00, 0.00, 0.00) 248: torsion ( 0.233, -0.130, 1.677) ( 0.233, -0.130, 1.679) ( 0.00, 0.00, 0.08) 248: oop ( 0.089, -0.027, 0.816) ( 0.074, -0.024, 0.681) ( 0.13, 0.01, 11.01) 248: vdw (-10.495, 2.954, 2.887) (-10.495, 2.954, 2.887) ( 0.00, 0.01, 0.00) 248: electro ( -0.314, -0.010, -1.094) ( -0.314, -0.010, -1.094) ( 0.00, 0.00, 0.00) 248: 17 ( -0.587, 0.280, 1.052) ( -0.579, 0.286, 1.057) ( 0.46, 0.17, 0.47) 248: bond ( 11.943, 13.623, 0.244) ( 11.949, 13.628, 0.244) ( 0.05, 0.04, 0.01) 248: angle ( 1.276, -3.469, -0.726) ( 1.277, -3.467, -0.726) ( 0.13, 0.05, 0.00) 248: strbnd ( 0.726, -3.329, -0.300) ( 0.726, -3.330, -0.300) ( 0.01, 0.01, 0.00) 248: torsion ( 0.227, -0.156, 1.421) ( 0.227, -0.156, 1.422) ( 0.00, 0.00, 0.09) 248: oop ( -0.004, 0.002, -0.021) ( -0.003, 0.002, -0.018) ( 0.00, 0.00, 0.01) 250: 1 ( 0.431, 0.382, 0.004) ( 0.436, 0.388, 0.009) ( 0.22, 0.23, 0.00) 250: bond ( -4.893, 2.856, -3.005) ( -4.889, 2.861, -3.000) ( 0.09, 0.16, 0.15) 250: angle ( 1.859, -4.639, 2.751) ( 1.861, -4.637, 2.752) ( 0.10, 0.04, 0.06) 250: strbnd ( 0.352, -0.450, 0.642) ( 0.351, -0.450, 0.641) ( 0.05, 0.03, 0.04) 250: torsion ( -0.296, -0.439, 0.009) ( -0.296, -0.439, 0.009) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.689, 2.322, 0.608) ( 5.689, 2.322, 0.608) ( 0.00, 0.00, 0.00) 250: electro ( -2.279, 0.731, -1.001) ( -2.279, 0.731, -1.001) ( 0.00, 0.00, 0.00) 250: 2 ( -0.776, -0.622, -0.218) ( -0.780, -0.606, -0.189) ( 0.23, 0.97, 0.62) 250: bond ( 7.306, -2.470, 3.157) ( 7.312, -2.468, 3.158) ( 0.07, 0.08, 0.02) 250: angle ( 2.892, 8.647, -4.003) ( 2.893, 8.648, -4.002) ( 0.01, 0.02, 0.01) 250: strbnd (-10.808, -7.207, -0.152) (-10.809, -7.207, -0.152) ( 0.00, 0.00, 0.00) 250: torsion ( -0.221, 0.486, 0.955) ( -0.221, 0.486, 0.955) ( 0.00, 0.00, 0.01) 250: oop ( 0.054, -0.078, -0.175) ( 0.045, -0.066, -0.147) ( 0.04, 0.09, 0.48) 250: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( 0.077, -0.215, -0.263) ( 0.077, -0.212, -0.263) ( 0.01, 0.07, 0.02) 250: bond ( 0.045, 0.977, 0.187) ( 0.045, 0.980, 0.187) ( 0.00, 0.32, 0.00) 250: angle ( -5.704, 0.511, -1.299) ( -5.703, 0.511, -1.299) ( 0.01, 0.00, 0.04) 250: strbnd ( -0.435, 0.449, -0.226) ( -0.435, 0.449, -0.226) ( 0.00, 0.00, 0.00) 250: torsion ( -0.156, -0.037, 0.231) ( -0.156, -0.037, 0.231) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 6.326, -2.115, 0.844) ( 6.326, -2.115, 0.844) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 4 ( -0.154, -0.035, 0.283) ( -0.151, -0.034, 0.284) ( 0.04, 0.00, 0.03) 250: bond ( -0.518, -0.212, 0.225) ( -0.515, -0.211, 0.226) ( 0.13, 0.01, 0.01) 250: angle ( 0.309, -0.045, 0.666) ( 0.310, -0.044, 0.666) ( 0.01, 0.00, 0.03) 250: strbnd ( -0.108, 0.417, -0.398) ( -0.108, 0.418, -0.398) ( 0.00, 0.00, 0.00) 250: torsion ( -0.012, -0.211, -0.225) ( -0.012, -0.211, -0.225) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.175, 0.014, 0.016) ( 0.175, 0.014, 0.016) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 ( -0.220, -0.180, -0.107) ( -0.219, -0.179, -0.104) ( 0.01, 0.01, 0.04) 250: bond ( 0.005, -0.076, -0.456) ( 0.005, -0.076, -0.453) ( 0.00, 0.00, 0.15) 250: angle ( -1.188, -0.996, 0.154) ( -1.187, -0.996, 0.154) ( 0.05, 0.05, 0.00) 250: strbnd ( -0.441, 0.249, -0.473) ( -0.441, 0.249, -0.473) ( 0.00, 0.00, 0.00) 250: torsion ( 0.429, 0.568, -0.091) ( 0.429, 0.568, -0.091) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.975, 0.076, 0.758) ( 0.975, 0.076, 0.758) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 6 ( 0.815, 1.141, -0.215) ( 0.856, 1.101, -0.316) ( 3.35, 3.49, 2.17) 250: bond ( -0.770, -0.798, 0.110) ( -0.761, -0.793, 0.112) ( 0.74, 0.41, 0.02) 250: angle ( -6.533, -4.058, -0.587) ( -6.531, -4.056, -0.587) ( 0.02, 0.05, 0.02) 250: strbnd ( 13.048, 4.199, 2.149) ( 13.046, 4.199, 2.149) ( 0.02, 0.01, 0.01) 249: vdw ( -0.453, 0.779, -0.526) ( -0.453, 0.779, -0.526) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 18 ( 0.009, -0.007, -0.006) ( 0.013, -0.006, -0.005) ( 0.00, 0.00, 0.00) 249: bond ( -0.186, -0.031, -0.038) ( -0.183, -0.031, -0.038) ( 0.06, 0.00, 0.00) 249: angle ( -0.001, -3.690, 3.012) ( -0.001, -3.689, 3.012) ( 0.00, 0.01, 0.01) 249: strbnd ( -0.238, -0.555, 0.057) ( -0.238, -0.555, 0.057) ( 0.00, 0.00, 0.00) 249: torsion ( -0.181, 0.195, 0.704) ( -0.181, 0.195, 0.704) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.615, 4.074, -3.740) ( 0.615, 4.074, -3.740) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 19 ( 0.019, -0.041, 0.008) ( 0.020, -0.038, 0.009) ( 0.00, 0.01, 0.00) 249: bond ( 0.677, -1.445, 0.292) ( 0.678, -1.442, 0.292) ( 0.04, 0.19, 0.00) 249: angle ( -1.005, -1.216, -3.671) ( -1.005, -1.216, -3.670) ( 0.04, 0.01, 0.02) 249: strbnd ( -1.742, -0.148, -1.789) ( -1.742, -0.148, -1.789) ( 0.00, 0.00, 0.00) 249: torsion ( 0.210, 0.090, -0.042) ( 0.210, 0.090, -0.042) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.877, 2.677, 5.218) ( 1.877, 2.677, 5.218) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 20 ( -0.005, -0.001, 0.002) ( -0.002, -0.000, 0.003) ( 0.00, 0.00, 0.00) 249: bond ( -0.952, -0.106, 0.112) ( -0.948, -0.106, 0.112) ( 0.32, 0.00, 0.00) 249: angle ( 0.138, -5.030, -3.586) ( 0.138, -5.030, -3.585) ( 0.00, 0.01, 0.02) 249: strbnd ( 0.526, -1.605, -1.670) ( 0.526, -1.605, -1.670) ( 0.00, 0.00, 0.00) 249: torsion ( 0.072, -0.421, 0.214) ( 0.072, -0.421, 0.214) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.210, 7.161, 4.932) ( 0.210, 7.161, 4.932) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 21 ( 0.018, -0.034, 0.016) ( 0.019, -0.031, 0.017) ( 0.00, 0.01, 0.00) 249: bond ( 0.310, -0.673, 0.202) ( 0.310, -0.671, 0.202) ( 0.02, 0.18, 0.00) 249: angle ( 0.167, -1.396, -4.895) ( 0.167, -1.396, -4.895) ( 0.01, 0.01, 0.01) 249: strbnd ( 0.282, -0.193, -0.326) ( 0.282, -0.193, -0.326) ( 0.00, 0.00, 0.00) 249: torsion ( -0.415, -0.240, -0.161) ( -0.415, -0.240, -0.161) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.326, 2.469, 5.196) ( -0.326, 2.469, 5.196) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 22 ( 0.021, 0.013, 0.021) ( 0.022, 0.015, 0.022) ( 0.00, 0.00, 0.00) 249: bond ( -0.705, -1.304, -1.176) ( -0.704, -1.303, -1.174) ( 0.03, 0.12, 0.11) 249: angle ( 0.266, 0.180, -0.359) ( 0.266, 0.180, -0.359) ( 0.01, 0.00, 0.01) 249: strbnd ( 0.688, 1.241, 0.578) ( 0.688, 1.241, 0.578) ( 0.00, 0.00, 0.00) 249: torsion ( -0.120, 0.072, -0.007) ( -0.120, 0.072, -0.007) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.109, -0.174, 0.986) ( -0.109, -0.174, 0.986) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 23 ( -0.000, -0.006, -0.006) ( 0.003, -0.006, -0.006) ( 0.00, 0.00, 0.00) 249: bond ( -0.046, -0.002, 0.007) ( -0.043, -0.002, 0.007) ( 0.02, 0.00, 0.00) 248: vdw (-14.498, -6.002, 0.935) (-14.498, -6.002, 0.935) ( 0.00, 0.00, 0.00) 248: electro ( -0.257, -0.389, -0.500) ( -0.257, -0.389, -0.500) ( 0.00, 0.00, 0.00) 248: 18 ( -0.846, -0.010, 0.550) ( -0.842, 0.000, 0.524) ( 0.36, 0.01, 1.42) 248: bond ( -3.720, 10.016, 1.464) ( -3.714, 10.021, 1.464) ( 0.15, 0.06, 0.01) 248: angle ( 3.372, 1.996, -0.096) ( 3.374, 1.998, -0.096) ( 0.05, 0.09, 0.00) 248: strbnd ( 1.201, -0.848, -0.145) ( 1.201, -0.848, -0.145) ( 0.02, 0.01, 0.00) 248: torsion ( 0.005, -0.001, 0.213) ( 0.005, -0.001, 0.214) ( 0.00, 0.00, 0.03) 248: oop ( 0.015, -0.016, 0.164) ( 0.013, -0.013, 0.137) ( 0.00, 0.00, 0.45) 248: vdw ( -1.486, -11.784, -0.891) ( -1.486, -11.784, -0.891) ( 0.00, 0.00, 0.00) 248: electro ( -0.234, 0.627, -0.159) ( -0.234, 0.627, -0.159) ( 0.00, 0.00, 0.00) 248: 19 ( -0.802, -0.231, -0.241) ( -0.792, -0.227, -0.209) ( 0.79, 0.10, 0.77) 248: bond ( -3.439, 12.608, 1.190) ( -3.434, 12.614, 1.190) ( 0.17, 0.04, 0.02) 248: angle ( -7.033, 2.531, 1.010) ( -7.031, 2.533, 1.010) ( 0.02, 0.06, 0.01) 248: strbnd ( -0.939, -6.205, -0.494) ( -0.939, -6.206, -0.494) ( 0.02, 0.00, 0.00) 248: torsion ( 0.083, -0.036, 0.405) ( 0.083, -0.036, 0.406) ( 0.00, 0.00, 0.05) 248: oop ( -0.015, 0.016, -0.180) ( -0.012, 0.013, -0.149) ( 0.00, 0.00, 0.55) 248: vdw ( 11.128, -8.501, -1.965) ( 11.128, -8.501, -1.965) ( 0.00, 0.00, 0.00) 248: electro ( -0.587, -0.644, -0.207) ( -0.587, -0.644, -0.207) ( 0.00, 0.00, 0.00) 248: 20 ( -0.443, -0.226, -0.393) ( -0.448, -0.219, -0.464) ( 0.20, 0.16, 2.79) 248: bond (-23.028, 1.536, 2.475) (-23.023, 1.541, 2.475) ( 0.02, 0.33, 0.01) 248: angle ( 15.846, -1.882, -2.254) ( 15.848, -1.881, -2.254) ( 0.01, 0.09, 0.00) 248: strbnd ( -4.096, 7.781, 0.817) ( -4.097, 7.781, 0.817) ( 0.00, 0.00, 0.00) 248: torsion ( 0.129, 0.136, 0.405) ( 0.129, 0.136, 0.407) ( 0.00, 0.00, 0.05) 248: oop ( 0.078, -0.007, 0.518) ( 0.066, -0.007, 0.445) ( 0.09, 0.00, 3.76) 248: vdw ( 11.264, -7.207, -2.094) ( 11.264, -7.207, -2.094) ( 0.00, 0.00, 0.00) 248: electro ( -0.635, -0.582, -0.260) ( -0.635, -0.582, -0.260) ( 0.00, 0.00, 0.00) 248: 21 ( 0.070, 0.058, 0.371) ( 0.080, -0.012, 0.135) ( 0.07, 0.40, 8.76) 248: bond ( 7.503, -21.569, 13.282) ( 7.507, -21.565, 13.286) ( 0.05, 0.02, 0.03) 248: angle ( -8.074, 14.944, -23.421) ( -8.072, 14.947, -23.419) ( 0.03, 0.01, 0.01) 248: strbnd ( 2.250, 2.780, 1.796) ( 2.249, 2.779, 1.795) ( 0.04, 0.04, 0.03) 248: torsion ( -0.293, 1.133, 8.011) ( -0.293, 1.133, 8.011) ( 0.00, 0.01, 0.00) 248: oop ( -0.019, 0.274, 0.893) ( -0.014, 0.200, 0.651) ( 0.01, 2.04, 21.55) 248: vdw ( -0.617, 2.348, -0.996) ( -0.617, 2.348, -0.996) ( 0.00, 0.00, 0.00) 248: electro ( -0.681, 0.147, 0.808) ( -0.681, 0.147, 0.808) ( 0.00, 0.00, 0.00) 248: 22 ( 0.335, -0.174, 0.517) ( 0.341, -0.168, 0.522) ( 0.18, 0.10, 0.29) 248: bond ( 10.845, -2.778, -8.094) ( 10.850, -2.774, -8.090) ( 0.04, 0.15, 0.05) 248: angle ( -9.008, -1.801, 6.507) ( -9.006, -1.799, 6.508) ( 0.02, 0.10, 0.03) 248: strbnd ( 0.507, -2.141, 2.316) ( 0.507, -2.141, 2.315) ( 0.04, 0.02, 0.03) 248: torsion ( 0.379, 2.149, -1.075) ( 0.379, 2.149, -1.075) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.389, 4.398, 0.864) ( -2.389, 4.398, 0.864) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( -0.056, -0.173, -0.298) ( -0.051, -0.167, -0.292) ( 0.03, 0.09, 0.18) 248: bond ( -9.863, -5.250, 2.250) ( -9.858, -5.246, 2.255) ( 0.04, 0.08, 0.21) 250: torsion ( 0.259, -0.370, -0.890) ( 0.259, -0.370, -0.889) ( 0.00, 0.00, 0.01) 250: oop ( -0.183, 0.268, 0.599) ( -0.151, 0.221, 0.495) ( 0.59, 1.25, 6.20) 250: vdw ( -5.005, 1.900, -1.595) ( -5.005, 1.900, -1.595) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 7 ( -0.169, -0.110, -0.044) ( -0.176, -0.088, 0.004) ( 0.13, 0.25, 0.21) 250: bond ( -1.232, 0.565, -0.626) ( -1.226, 0.566, -0.625) ( 0.52, 0.08, 0.10) 250: angle ( -0.414, -0.699, 0.179) ( -0.414, -0.698, 0.179) ( 0.01, 0.04, 0.00) 250: strbnd ( -1.351, 0.487, -0.628) ( -1.351, 0.487, -0.628) ( 0.01, 0.00, 0.00) 250: torsion ( -0.063, 0.092, 0.208) ( -0.063, 0.092, 0.208) ( 0.00, 0.00, 0.00) 250: oop ( 0.065, -0.095, -0.213) ( 0.051, -0.074, -0.167) ( 0.09, 0.19, 0.98) 250: vdw ( -0.079, 0.007, -0.027) ( -0.079, 0.007, -0.027) ( 0.00, 0.00, 0.00) 250: electro ( 2.906, -0.466, 1.064) ( 2.906, -0.466, 1.064) ( 0.00, 0.00, 0.00) 250: 8 ( -0.035, -0.388, 0.541) ( -0.043, -0.371, 0.574) ( 0.03, 0.66, 1.76) 250: bond ( 0.028, -0.862, 0.394) ( 0.028, -0.860, 0.395) ( 0.00, 0.24, 0.02) 250: angle ( 8.772, 1.272, 2.136) ( 8.772, 1.272, 2.136) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.253, 1.856, -0.912) ( -0.253, 1.856, -0.912) ( 0.00, 0.00, 0.00) 250: torsion ( 0.061, -0.089, -0.197) ( 0.061, -0.089, -0.197) ( 0.00, 0.00, 0.00) 250: oop ( 0.065, -0.096, -0.213) ( 0.055, -0.081, -0.181) ( 0.06, 0.14, 0.68) 250: vdw ( -8.081, -2.204, -0.604) ( -8.081, -2.204, -0.604) ( 0.00, 0.00, 0.00) 250: electro ( -0.627, -0.265, -0.063) ( -0.627, -0.265, -0.063) ( 0.00, 0.00, 0.00) 250: ok 8 # gradients 250: ok 9 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 249: angle ( -0.685, -1.089, -4.223) ( -0.685, -1.089, -4.222) ( 0.00, 0.04, 0.01) 249: strbnd ( -0.401, 0.150, -0.337) ( -0.401, 0.150, -0.337) ( 0.00, 0.00, 0.00) 249: torsion ( -0.006, -0.562, -0.156) ( -0.006, -0.562, -0.156) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.137, 1.497, 4.703) ( 1.137, 1.497, 4.703) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 24 ( 0.001, 0.001, -0.010) ( 0.002, 0.002, -0.007) ( 0.00, 0.00, 0.00) 249: bond ( 0.241, 0.312, -0.823) ( 0.241, 0.312, -0.820) ( 0.01, 0.01, 0.23) 249: angle ( 6.530, -0.021, 1.914) ( 6.530, -0.020, 1.914) ( 0.01, 0.00, 0.01) 249: strbnd ( 1.607, -0.705, 1.140) ( 1.607, -0.705, 1.140) ( 0.00, 0.00, 0.00) 249: torsion ( -0.241, 0.199, 0.005) ( -0.241, 0.199, 0.005) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -8.135, 0.216, -2.247) ( -8.135, 0.216, -2.246) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 25 ( 0.001, -0.003, -0.006) ( 0.002, -0.000, -0.005) ( 0.00, 0.00, 0.00) 249: bond ( 0.584, -1.508, 0.127) ( 0.584, -1.505, 0.127) ( 0.03, 0.19, 0.00) 249: angle ( 3.179, 1.068, -1.976) ( 3.180, 1.068, -1.975) ( 0.02, 0.01, 0.03) 249: strbnd ( 1.545, 1.128, -0.502) ( 1.545, 1.128, -0.502) ( 0.00, 0.00, 0.00) 249: torsion ( 0.227, 0.048, -0.478) ( 0.227, 0.048, -0.478) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -5.534, -0.739, 2.823) ( -5.534, -0.739, 2.823) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 26 ( 0.000, -0.022, -0.005) ( 0.001, -0.019, -0.005) ( 0.00, 0.01, 0.00) 249: bond ( -0.113, 0.424, -0.059) ( -0.112, 0.427, -0.059) ( 0.00, 0.13, 0.00) 249: angle ( 3.229, 1.089, 1.750) ( 3.230, 1.089, 1.750) ( 0.01, 0.00, 0.03) 249: strbnd ( 0.321, -0.323, 0.447) ( 0.321, -0.323, 0.447) ( 0.00, 0.00, 0.00) 249: torsion ( 0.630, 0.104, -0.450) ( 0.630, 0.104, -0.450) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.068, -1.316, -1.694) ( -4.067, -1.316, -1.694) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 27 ( 0.003, -0.007, -0.005) ( 0.004, -0.006, -0.002) ( 0.00, 0.00, 0.00) 249: bond ( 0.111, 0.117, -0.410) ( 0.111, 0.118, -0.407) ( 0.00, 0.00, 0.12) 249: angle ( 3.583, 2.700, 1.758) ( 3.583, 2.701, 1.758) ( 0.01, 0.02, 0.00) 249: strbnd ( 0.267, 0.398, 0.009) ( 0.267, 0.398, 0.009) ( 0.00, 0.00, 0.00) 249: torsion ( 0.217, -0.162, 0.012) ( 0.217, -0.162, 0.012) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.174, -3.061, -1.375) ( -4.174, -3.061, -1.375) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 28 ( -0.011, -0.006, 0.002) ( -0.007, -0.005, 0.002) ( 0.00, 0.00, 0.00) 249: bond ( 1.690, -0.082, -0.103) ( 1.693, -0.082, -0.103) ( 0.20, 0.00, 0.00) 249: angle ( 0.030, 0.569, 0.034) ( 0.030, 0.569, 0.035) ( 0.00, 0.03, 0.00) 249: strbnd ( -1.242, 0.339, 0.433) ( -1.242, 0.339, 0.433) ( 0.00, 0.00, 0.00) 249: torsion ( 0.001, -0.311, 0.262) ( 0.001, -0.311, 0.262) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.489, -0.521, -0.624) ( -0.489, -0.521, -0.624) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: ok 10 # gradients 249: ok 11 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : surdox02.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 248: angle ( 12.507, 0.572, 0.600) ( 12.509, 0.573, 0.602) ( 0.02, 0.10, 0.10) 248: strbnd ( 0.608, -3.802, 1.723) ( 0.607, -3.803, 1.722) ( 0.05, 0.02, 0.03) 248: torsion ( -1.338, 1.223, -0.733) ( -1.338, 1.223, -0.733) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.970, 7.085, -4.139) ( -1.970, 7.085, -4.139) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( 0.006, -0.005, 0.058) ( 0.012, 0.000, 0.060) ( 0.00, 0.00, 0.02) 248: bond ( -0.866, -18.509, 3.882) ( -0.862, -18.505, 3.887) ( 0.40, 0.02, 0.12) 248: angle ( 5.959, 26.024, -8.109) ( 5.962, 26.026, -8.108) ( 0.04, 0.01, 0.02) 248: strbnd (-10.525, -2.634, 0.562) (-10.527, -2.635, 0.562) ( 0.02, 0.03, 0.02) 248: torsion ( -0.876, -1.089, 1.253) ( -0.876, -1.089, 1.253) ( 0.00, 0.00, 0.01) 248: oop ( -0.001, 0.002, 0.014) ( -0.000, 0.002, 0.010) ( 0.00, 0.00, 0.00) 248: vdw ( 2.349, -4.597, 0.926) ( 2.349, -4.597, 0.926) ( 0.01, 0.00, 0.00) 248: electro ( 3.966, 0.797, 1.529) ( 3.966, 0.797, 1.529) ( 0.00, 0.00, 0.00) 248: 25 ( -0.014, -0.101, -0.165) ( -0.009, -0.095, -0.159) ( 0.01, 0.06, 0.10) 248: bond ( -3.870, 12.275, -0.924) ( -3.866, 12.279, -0.920) ( 0.10, 0.03, 0.41) 248: angle ( -5.572, -18.333, 5.423) ( -5.570, -18.330, 5.425) ( 0.04, 0.01, 0.03) 248: strbnd ( -1.114, -2.631, -0.165) ( -1.115, -2.631, -0.166) ( 0.10, 0.02, 0.00) 248: torsion ( 3.318, -0.490, -3.647) ( 3.318, -0.490, -3.647) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.225, 9.078, -0.852) ( 7.225, 9.078, -0.852) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 ( -0.228, 0.018, 0.143) ( -0.223, 0.024, 0.149) ( 0.11, 0.01, 0.08) 248: bond ( 4.426, -15.861, -0.954) ( 4.429, -15.857, -0.949) ( 0.08, 0.03, 0.45) 248: angle ( -8.266, 12.873, -7.689) ( -8.264, 12.875, -7.687) ( 0.02, 0.02, 0.03) 248: strbnd ( 1.193, 5.294, 4.137) ( 1.192, 5.293, 4.136) ( 0.07, 0.01, 0.03) 248: torsion ( -0.164, -0.701, 3.652) ( -0.164, -0.701, 3.652) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.542, -1.377, 0.272) ( -0.542, -1.377, 0.272) ( 0.01, 0.00, 0.00) 248: electro ( 3.125, -0.209, 0.725) ( 3.125, -0.209, 0.725) ( 0.00, 0.00, 0.00) 248: 27 ( -0.131, 0.200, 0.315) ( -0.126, 0.205, 0.322) ( 0.06, 0.11, 0.19) 248: bond ( -1.243, 14.723, 1.076) ( -1.239, 14.727, 1.080) ( 0.30, 0.03, 0.41) 248: angle ( -2.830, -11.271, 1.923) ( -2.828, -11.269, 1.924) ( 0.07, 0.02, 0.10) 248: strbnd ( 1.105, -0.095, 0.631) ( 1.104, -0.095, 0.630) ( 0.10, 0.01, 0.02) 248: torsion ( 1.263, -4.544, -4.977) ( 1.263, -4.544, -4.977) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.574, 1.387, 1.663) ( 1.574, 1.387, 1.663) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 28 ( -0.164, 0.308, 0.056) ( -0.159, 0.314, 0.060) ( 0.08, 0.19, 0.03) 248: bond ( -2.953, -11.140, 2.764) ( -2.949, -11.136, 2.768) ( 0.12, 0.04, 0.15) 248: angle ( -6.707, 11.635, 3.591) ( -6.705, 11.637, 3.594) ( 0.03, 0.02, 0.06) 248: strbnd ( 1.933, -1.383, -4.721) ( 1.932, -1.383, -4.722) ( 0.05, 0.02, 0.03) 248: torsion ( -0.767, 1.045, 0.680) ( -0.767, 1.045, 0.680) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.685, -1.579, 0.134) ( -1.684, -1.579, 0.134) ( 0.01, 0.00, 0.00) 250: 1 ( 6.021, -8.841, 15.336) ( 6.025, -8.837, 15.339) ( 0.07, 0.04, 0.02) 250: bond ( 13.697, -19.381, 33.622) ( 13.700, -19.379, 33.624) ( 0.02, 0.02, 0.01) 250: angle ( -4.188, 5.759, -9.944) ( -4.187, 5.761, -9.942) ( 0.03, 0.02, 0.02) 250: strbnd ( -3.294, 4.646, -8.104) ( -3.295, 4.645, -8.105) ( 0.02, 0.01, 0.01) 250: torsion ( -0.194, 0.135, -0.238) ( -0.194, 0.135, -0.238) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 2 ( -9.933, -2.704, 4.639) ( -9.929, -2.699, 4.644) ( 0.04, 0.19, 0.11) 250: bond (-13.151, 0.001, 0.002) (-13.148, 0.005, 0.006) ( 0.03, 0.00, 0.00) 250: angle ( -5.431, -2.186, 3.739) ( -5.429, -2.184, 3.741) ( 0.03, 0.08, 0.04) 250: strbnd ( 4.098, -2.031, 3.530) ( 4.097, -2.031, 3.529) ( 0.04, 0.02, 0.01) 250: torsion ( -0.000, 0.166, -0.285) ( 0.000, 0.166, -0.285) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( 3.813, 8.396, 5.795) ( 3.819, 8.400, 5.800) ( 0.14, 0.05, 0.09) 250: bond ( 4.362, 12.392, -0.017) ( 4.366, 12.395, -0.013) ( 0.09, 0.03, 0.01) 250: angle ( 3.888, 4.351, 3.744) ( 3.890, 4.353, 3.746) ( 0.05, 0.04, 0.04) 250: strbnd ( 0.568, -4.531, 3.529) ( 0.568, -4.532, 3.529) ( 0.03, 0.03, 0.01) 250: torsion ( 0.479, -0.170, 0.882) ( 0.479, -0.170, 0.882) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 4 ( 3.726, -9.185, -4.409) ( 3.731, -9.180, -4.405) ( 0.14, 0.05, 0.09) 250: bond ( 4.377, -6.197, -10.754) ( 4.381, -6.194, -10.751) ( 0.09, 0.06, 0.03) 250: angle ( 3.836, -5.397, -1.958) ( 3.837, -5.396, -1.956) ( 0.05, 0.03, 0.09) 250: strbnd ( 0.555, -0.774, 5.727) ( 0.555, -0.774, 5.725) ( 0.03, 0.04, 0.02) 250: torsion ( 0.478, -0.675, 0.585) ( 0.478, -0.675, 0.585) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 ( -2.313, 28.066, 0.105) ( -2.312, 28.068, 0.106) ( 0.04, 0.01, 0.01) 250: bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) 250: angle ( 1.760, 0.623, -0.007) ( 1.760, 0.623, -0.006) ( 0.03, 0.00, 0.00) 250: strbnd ( -1.908, -0.349, 0.000) ( -1.908, -0.349, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, -0.000, 0.152) ( 0.000, 0.000, 0.152) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 6 ( -9.233, -13.275, 23.034) ( -9.232, -13.274, 23.036) ( 0.01, 0.01, 0.01) 250: bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) 250: angle ( 1.828, -0.303, 0.571) ( 1.829, -0.302, 0.572) ( 0.02, 0.01, 0.01) 250: strbnd ( -1.910, 0.171, -0.295) ( -1.910, 0.171, -0.295) ( 0.00, 0.00, 0.00) 16: Warning: Stereochemistry is wrong, using distance geometry instead 249: 1 ( 0.013, -0.116, -0.042) ( 0.127, -0.099, -0.306) ( 0.15, 0.20, 1.11) 249: bond ( 2.996, -0.181, 5.906) ( 3.000, -0.170, 5.908) ( 0.14, 0.21, 0.03) 249: angle ( -0.615, 0.021, -2.208) ( -0.614, 0.022, -2.207) ( 0.09, 0.00, 0.06) 249: strbnd ( 31.994, -0.001, 12.086) ( 31.994, -0.002, 12.085) ( 0.00, 0.00, 0.00) 249: torsion ( 0.329, 0.014, -0.811) ( 0.329, 0.014, -0.811) ( 0.00, 0.00, 0.01) 249: oop ( -0.655, -0.027, 1.614) ( -0.546, -0.023, 1.348) ( 7.08, 0.01, 16.52) 249: vdw ( -1.367, 0.002, -0.677) ( -1.367, 0.002, -0.677) ( 0.00, 0.00, 0.00) 249: electro (-32.669, 0.057, -15.952) (-32.669, 0.057, -15.952) ( 0.00, 0.00, 0.00) 249: 2 ( -0.031, -0.005, -0.000) ( -0.036, 0.000, 0.210) ( 0.02, 0.00, 0.01) 249: bond (-24.654, -0.013, -8.873) (-24.650, -0.006, -8.872) ( 0.02, 0.01, 0.01) 249: angle ( 26.151, -0.059, 14.095) ( 26.154, -0.057, 14.095) ( 0.01, 0.01, 0.00) 249: strbnd ( -2.586, 0.026, -2.810) ( -2.588, 0.025, -2.810) ( 0.08, 0.00, 0.00) 249: torsion ( 0.950, 0.026, -1.404) ( 0.950, 0.026, -1.404) ( 0.01, 0.00, 0.03) 249: oop ( 0.109, 0.015, -1.009) ( 0.099, 0.012, -0.800) ( 0.10, 0.00, 20.76) 249: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 3 ( 0.030, -0.079, -0.004) ( -0.460, -0.155, 0.812) ( 1.47, 0.60, 0.36) 249: bond ( 3.669, 20.808, 1.591) ( 3.675, 20.815, 1.593) ( 0.15, 0.03, 0.11) 249: angle (-16.152, 8.087, -6.190) (-16.150, 8.089, -6.189) ( 0.01, 0.02, 0.01) 249: strbnd (-15.060, -18.986, -5.342) (-15.060, -18.986, -5.342) ( 0.00, 0.00, 0.00) 249: torsion ( -4.285, 0.335, 9.829) ( -4.285, 0.335, 9.829) ( 0.00, 0.00, 0.00) 249: oop ( 3.601, 1.017, -6.100) ( 3.104, 0.933, -5.286) (13.80, 8.25, 13.34) 249: vdw ( 4.304, -0.146, 0.652) ( 4.304, -0.146, 0.652) ( 0.00, 0.00, 0.00) 249: electro ( 23.952, -11.196, 5.555) ( 23.952, -11.196, 5.555) ( 0.00, 0.00, 0.00) 249: 4 ( 0.007, 0.012, -0.004) ( 0.009, 0.018, -0.003) ( 0.00, 0.01, 0.00) 249: bond ( 1.917, 4.448, -1.522) ( 1.918, 4.454, -1.521) ( 0.06, 0.13, 0.05) 249: angle ( 0.657, -0.203, 0.234) ( 0.657, -0.203, 0.234) ( 0.04, 0.00, 0.01) 249: strbnd ( 0.365, 0.126, 0.367) ( 0.365, 0.126, 0.367) ( 0.00, 0.00, 0.00) 249: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.311, -0.150, -0.658) ( -4.311, -0.150, -0.658) ( 0.00, 0.00, 0.00) 249: electro ( 1.379, -4.208, 1.576) ( 1.379, -4.208, 1.576) ( 0.00, 0.00, 0.00) 249: 5 ( 0.011, 0.000, 0.007) ( 0.314, 0.017, -0.395) ( 0.34, 0.00, 0.28) 249: bond ( 2.147, 0.095, 1.594) ( 2.150, 0.095, 1.596) ( 0.15, 0.00, 0.11) 249: angle ( 0.148, -1.267, -0.124) ( 0.148, -1.266, -0.124) ( 0.00, 0.05, 0.00) 249: strbnd ( 0.091, 0.467, -0.005) ( 0.091, 0.467, -0.005) ( 0.00, 0.00, 0.00) 249: torsion ( 2.685, -0.730, -3.574) ( 2.685, -0.730, -3.574) ( 0.00, 0.00, 0.00) 249: oop ( -2.057, -0.336, 2.792) ( -1.758, -0.320, 2.387) (14.55, 0.54, 14.48) 249: vdw ( -0.057, 0.074, -0.025) ( -0.057, 0.074, -0.025) ( 0.00, 0.00, 0.00) 249: electro ( -2.946, 1.696, -0.650) ( -2.946, 1.696, -0.650) ( 0.00, 0.00, 0.00) 249: 6 ( -0.032, 0.038, -0.003) ( 0.117, 0.131, -0.383) ( 0.49, 0.35, 0.12) 249: bond ( 2.991, -4.569, 0.099) ( 2.993, -4.566, 0.099) ( 0.05, 0.07, 0.00) 249: angle ( 2.530, 1.664, 0.255) ( 2.530, 1.664, 0.256) ( 0.02, 0.01, 0.00) 249: strbnd ( -0.003, 0.684, 0.085) ( -0.003, 0.684, 0.085) ( 0.00, 0.00, 0.00) 248: electro ( 10.015, 1.730, -2.393) ( 10.015, 1.730, -2.393) ( 0.00, 0.00, 0.00) 248: 29 ( -0.089, 0.132, -0.028) ( -0.179, 0.268, 0.043) ( 0.80, 1.80, 0.20) 248: bond ( -3.268, 7.249, 5.605) ( -3.264, 7.254, 5.609) ( 0.11, 0.06, 0.08) 248: angle ( 1.228, -5.262, -5.708) ( 1.229, -5.261, -5.706) ( 0.14, 0.03, 0.04) 248: strbnd ( -1.075, 1.910, 2.578) ( -1.075, 1.910, 2.578) ( 0.06, 0.02, 0.02) 248: torsion ( -1.983, -2.819, -0.108) ( -1.983, -2.819, -0.108) ( 0.00, 0.00, 0.00) 248: oop ( 0.919, -1.262, -0.629) ( 0.825, -1.132, -0.564) ( 8.72, 10.33, 4.10) 248: vdw ( 3.898, -0.356, -3.193) ( 3.898, -0.356, -3.193) ( 0.00, 0.00, 0.00) 248: electro ( 0.191, 0.672, 1.426) ( 0.191, 0.672, 1.426) ( 0.00, 0.00, 0.00) 248: 30 ( -1.041, 1.402, 0.516) ( -0.321, 0.483, 0.053) (69.21, 65.53, 23.86) 248: bond ( -1.273, -3.810, 6.037) ( -1.269, -3.807, 6.047) ( 0.30, 0.07, 0.16) 248: angle ( 1.224, 1.913, 5.350) ( 1.225, 1.914, 5.352) ( 0.15, 0.07, 0.03) 248: strbnd ( -1.468, 0.550, -3.069) ( -1.469, 0.549, -3.071) ( 0.07, 0.04, 0.07) 248: torsion ( -0.091, 0.173, 0.599) ( -0.091, 0.173, 0.599) ( 0.00, 0.00, 0.00) 248: oop ( -3.638, 4.815, 2.435) ( -2.922, 3.893, 1.963) (19.69, 19.15, 19.39) 248: vdw ( 6.948, -1.148, -6.767) ( 6.948, -1.148, -6.767) ( 0.00, 0.00, 0.00) 248: electro ( -2.744, -1.090, -4.069) ( -2.744, -1.090, -4.069) ( 0.00, 0.00, 0.00) 248: 31 ( 0.881, -1.368, -1.069) ( 0.567, -0.962, -0.854) (27.76, 29.71, 20.14) 248: bond ( 0.058, 0.328, -0.551) ( 0.058, 0.330, -0.546) ( 0.00, 0.06, 0.28) 248: angle ( -2.127, -1.116, -0.901) ( -2.127, -1.116, -0.901) ( 0.03, 0.02, 0.01) 248: strbnd ( -0.372, -0.811, 1.064) ( -0.372, -0.811, 1.064) ( 0.00, 0.01, 0.01) 248: torsion ( 0.357, -0.491, -0.258) ( 0.357, -0.491, -0.258) ( 0.00, 0.00, 0.00) 248: oop ( 1.362, -1.784, -0.930) ( 1.047, -1.380, -0.720) (23.18, 22.66, 19.55) 248: vdw ( 3.653, 3.015, -1.101) ( 3.653, 3.015, -1.101) ( 0.00, 0.00, 0.00) 248: electro ( -2.050, -0.510, 1.609) ( -2.050, -0.510, 1.609) ( 0.00, 0.00, 0.00) 248: 32 ( -0.790, 1.265, 0.167) ( -1.091, 1.654, 0.369) (23.83, 30.79, 3.37) 248: bond ( -3.495, -0.110, -5.185) ( -3.493, -0.110, -5.181) ( 0.06, 0.00, 0.09) 248: angle ( 0.338, 0.315, -0.235) ( 0.339, 0.316, -0.235) ( 0.01, 0.02, 0.00) 248: strbnd ( 0.426, -0.497, 1.754) ( 0.426, -0.497, 1.754) ( 0.01, 0.00, 0.01) 248: torsion ( -0.160, 0.219, 0.103) ( -0.160, 0.219, 0.103) ( 0.00, 0.00, 0.00) 248: oop ( 1.355, -1.770, -0.876) ( 1.050, -1.382, -0.679) (22.48, 21.97, 17.28) 248: vdw ( 8.930, 2.395, -1.527) ( 8.930, 2.395, -1.527) ( 0.00, 0.00, 0.00) 248: electro ( -8.183, 0.713, 6.132) ( -8.183, 0.713, 6.132) ( 0.00, 0.00, 0.00) 248: 33 ( -0.924, 0.360, -0.139) ( -0.923, 0.367, -0.135) ( 0.06, 0.24, 0.05) 248: bond ( -0.019, -1.678, -1.610) ( -0.019, -1.671, -1.608) ( 0.00, 0.37, 0.18) 248: angle ( 8.749, -2.680, 5.549) ( 8.750, -2.680, 5.550) ( 0.01, 0.01, 0.02) 248: strbnd ( 0.282, -2.395, -3.567) ( 0.282, -2.395, -3.567) ( 0.00, 0.00, 0.01) 248: torsion ( -0.756, 0.926, -0.619) ( -0.756, 0.926, -0.619) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.059, 4.362, 2.702) ( 2.059, 4.362, 2.702) ( 0.01, 0.00, 0.00) 248: electro (-11.239, 1.825, -2.594) (-11.239, 1.825, -2.594) ( 0.00, 0.00, 0.00) 248: 34 ( 0.039, 0.551, 0.057) ( 0.045, 0.552, 0.061) ( 0.02, 0.04, 0.02) 248: bond ( 13.740, 3.045, -11.264) ( 13.745, 3.046, -11.261) ( 0.04, 0.01, 0.03) 248: angle ( 3.434, -0.862, -3.531) ( 3.435, -0.861, -3.530) ( 0.02, 0.04, 0.03) 248: strbnd ( -0.868, -0.657, 2.046) ( -0.868, -0.658, 2.046) ( 0.01, 0.00, 0.02) 250: torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 7 ( -2.162, -14.129, -24.316) ( -2.161, -14.129, -24.314) ( 0.04, 0.01, 0.01) 250: bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) 250: angle ( 1.840, -0.299, -0.578) ( 1.840, -0.299, -0.578) ( 0.02, 0.01, 0.01) 250: strbnd ( -1.909, 0.172, 0.297) ( -1.909, 0.172, 0.297) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.133, 0.077) ( 0.000, -0.133, 0.077) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 8 ( 27.568, -1.841, -1.569) ( 27.570, -1.840, -1.569) ( 0.01, 0.04, 0.04) 250: bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) 250: angle ( 0.000, -1.856, -0.010) ( 0.000, -1.856, -0.009) ( 0.00, 0.03, 0.00) 250: strbnd ( 0.304, 1.915, -0.000) ( 0.304, 1.915, -0.000) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.469) ( 0.000, 0.000, -0.469) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 9 (-11.584, 11.851, 21.981) (-11.583, 11.852, 21.983) ( 0.01, 0.01, 0.01) 250: bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) 250: angle ( -0.885, -1.619, 0.574) ( -0.885, -1.619, 0.574) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.798, 1.743, -0.296) ( 0.798, 1.743, -0.296) ( 0.00, 0.00, 0.00) 250: torsion ( -0.382, 0.135, -0.234) ( -0.382, 0.135, -0.234) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 10 (-10.930, 9.420, -22.678) (-10.929, 9.421, -22.676) ( 0.01, 0.01, 0.01) 250: bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) 250: angle ( -0.882, -1.631, -0.581) ( -0.882, -1.630, -0.581) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.799, 1.742, 0.299) ( 0.799, 1.742, 0.299) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, -0.000, -0.001) ( 0.001, -0.000, -0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 11 ( 27.570, 2.262, 0.809) ( 27.573, 2.263, 0.809) ( 0.01, 0.03, 0.05) 250: bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) 250: angle ( 0.001, 0.926, 1.618) ( 0.001, 0.926, 1.618) ( 0.00, 0.04, 0.03) 250: strbnd ( 0.305, -0.958, -1.660) ( 0.305, -0.958, -1.660) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, 0.407, -0.235) ( -0.000, 0.407, -0.235) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 12 (-10.972, 14.917, -19.519) (-10.971, 14.918, -19.517) ( 0.01, 0.01, 0.01) 250: bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) 250: angle ( -0.889, 1.308, 1.118) ( -0.889, 1.309, 1.119) ( 0.03, 0.03, 0.02) 250: strbnd ( 0.798, -1.129, -1.364) ( 0.798, -1.129, -1.364) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 (-11.601, -24.965, 0.763) (-11.600, -24.963, 0.763) ( 0.01, 0.01, 0.05) 250: bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) 250: angle ( -0.888, 0.315, 1.704) ( -0.887, 0.315, 1.705) ( 0.03, 0.00, 0.03) 250: strbnd ( 0.799, -0.614, -1.659) ( 0.799, -0.614, -1.659) ( 0.00, 0.00, 0.00) 250: torsion ( -0.381, 0.135, -0.233) ( -0.381, 0.135, -0.233) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 10 # gradients 250: ok 11 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 249: torsion ( 0.960, 0.517, -5.145) ( 0.960, 0.517, -5.145) ( 0.00, 0.00, 0.00) 249: oop ( -1.271, -0.767, 3.004) ( -1.123, -0.679, 2.624) (11.64, 6.80, 12.66) 249: vdw ( 0.745, 0.835, 0.378) ( 0.745, 0.835, 0.378) ( 0.00, 0.00, 0.00) 249: electro ( -5.985, 1.676, 1.320) ( -5.985, 1.676, 1.320) ( 0.00, 0.00, 0.00) 249: 7 ( -0.036, 0.074, 0.033) ( -0.035, 0.080, 0.034) ( 0.01, 0.04, 0.00) 249: bond ( 1.920, -4.294, -1.614) ( 1.922, -4.288, -1.613) ( 0.06, 0.13, 0.05) 249: angle ( 0.658, 0.204, 0.241) ( 0.659, 0.204, 0.242) ( 0.04, 0.00, 0.01) 249: strbnd ( 0.365, -0.134, 0.362) ( 0.365, -0.134, 0.361) ( 0.00, 0.00, 0.00) 249: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.313, 0.123, -0.654) ( -4.313, 0.123, -0.654) ( 0.00, 0.00, 0.00) 249: electro ( 1.333, 4.175, 1.698) ( 1.333, 4.175, 1.698) ( 0.00, 0.00, 0.00) 249: 8 ( -0.030, 0.041, -0.031) ( -0.521, 0.105, 0.787) ( 1.48, 0.26, 2.57) 249: bond ( 3.840, -20.844, 0.957) ( 3.846, -20.837, 0.959) ( 0.14, 0.03, 0.17) 249: angle (-16.070, -8.077, -6.428) (-16.068, -8.075, -6.428) ( 0.01, 0.02, 0.01) 249: strbnd (-15.264, 18.971, -4.788) (-15.265, 18.971, -4.788) ( 0.00, 0.00, 0.00) 249: torsion ( -4.280, -0.668, 9.814) ( -4.280, -0.668, 9.814) ( 0.00, 0.00, 0.00) 249: oop ( 3.611, -0.800, -6.126) ( 3.114, -0.745, -5.311) (13.78, 4.38, 13.32) 249: vdw ( 4.302, 0.173, 0.657) ( 4.302, 0.173, 0.657) ( 0.00, 0.00, 0.00) 249: electro ( 23.831, 11.286, 5.883) ( 23.831, 11.286, 5.883) ( 0.00, 0.00, 0.00) 249: 9 ( 0.044, -0.007, 0.032) ( 0.346, -0.007, -0.371) ( 1.32, 0.00, 1.28) 249: bond ( 2.181, -0.120, 1.616) ( 2.185, -0.120, 1.617) ( 0.14, 0.00, 0.11) 249: angle ( 0.134, 1.267, -0.087) ( 0.134, 1.267, -0.087) ( 0.00, 0.05, 0.00) 249: strbnd ( 0.096, -0.466, -0.019) ( 0.096, -0.466, -0.019) ( 0.00, 0.00, 0.00) 249: torsion ( 2.677, 0.863, -3.551) ( 2.677, 0.863, -3.551) ( 0.00, 0.00, 0.00) 249: oop ( -2.060, 0.232, 2.800) ( -1.761, 0.231, 2.396) (14.53, 0.03, 14.45) 249: vdw ( -0.056, -0.074, -0.027) ( -0.056, -0.074, -0.027) ( 0.00, 0.00, 0.00) 249: electro ( -2.928, -1.708, -0.700) ( -2.928, -1.708, -0.700) ( 0.00, 0.00, 0.00) 249: 10 ( -0.012, -0.017, -0.002) ( 0.139, -0.089, -0.384) ( 0.17, 0.12, 0.07) 249: bond ( 2.961, 4.619, 0.235) ( 2.962, 4.623, 0.235) ( 0.05, 0.07, 0.00) 249: angle ( 2.550, -1.645, 0.209) ( 2.551, -1.645, 0.209) ( 0.02, 0.01, 0.00) 249: strbnd ( 0.004, -0.685, 0.065) ( 0.004, -0.685, 0.065) ( 0.00, 0.00, 0.00) 249: torsion ( 0.965, -0.356, -5.158) ( 0.965, -0.356, -5.158) ( 0.00, 0.00, 0.00) 249: oop ( -1.278, 0.666, 3.025) ( -1.130, 0.590, 2.642) (11.64, 5.06, 12.65) 249: vdw ( 0.753, -0.837, 0.354) ( 0.753, -0.837, 0.354) ( 0.00, 0.00, 0.00) 249: electro ( -5.967, -1.778, 1.269) ( -5.967, -1.778, 1.269) ( 0.00, 0.00, 0.00) 249: ok 12 # gradients 249: ok 13 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : valwou.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 248: torsion ( -0.397, 0.278, 0.129) ( -0.397, 0.278, 0.129) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.894, 2.781, 6.709) ( -1.894, 2.781, 6.709) ( 0.01, 0.00, 0.00) 248: electro (-13.976, -4.035, 5.969) (-13.976, -4.035, 5.969) ( 0.00, 0.00, 0.00) 248: 35 ( 0.215, -0.454, -0.523) ( 0.219, -0.455, -0.518) ( 0.09, 0.03, 0.24) 248: bond ( 2.204, -0.030, -0.236) ( 2.207, -0.030, -0.236) ( 0.17, 0.00, 0.00) 248: angle ( -0.031, -0.619, -0.215) ( -0.031, -0.619, -0.215) ( 0.00, 0.04, 0.00) 248: strbnd ( -0.630, -0.117, 0.028) ( -0.630, -0.117, 0.028) ( 0.00, 0.00, 0.00) 248: torsion ( -0.041, 0.142, -0.401) ( -0.041, 0.142, -0.401) ( 0.00, 0.00, 0.01) 248: oop ( -0.003, 0.009, -0.025) ( -0.002, 0.007, -0.021) ( 0.00, 0.00, 0.01) 248: vdw ( -0.755, 0.010, 0.078) ( -0.755, 0.010, 0.078) ( 0.00, 0.00, 0.00) 248: electro ( -0.529, 0.151, 0.248) ( -0.529, 0.151, 0.248) ( 0.00, 0.00, 0.00) 248: 36 ( 0.007, -0.633, 0.684) ( 0.009, -0.633, 0.694) ( 0.00, 0.02, 0.66) 248: bond ( 1.008, -1.858, -0.711) ( 1.009, -1.855, -0.710) ( 0.08, 0.14, 0.03) 248: angle ( -0.810, -0.409, -0.083) ( -0.810, -0.408, -0.083) ( 0.04, 0.01, 0.00) 248: strbnd ( -0.164, 0.654, 0.244) ( -0.164, 0.654, 0.244) ( 0.00, 0.00, 0.00) 248: torsion ( 0.047, -0.195, 0.576) ( 0.047, -0.195, 0.577) ( 0.00, 0.00, 0.02) 248: oop ( -0.004, 0.018, -0.054) ( -0.003, 0.015, -0.045) ( 0.00, 0.01, 0.05) 248: vdw ( -0.412, 0.629, 0.244) ( -0.412, 0.629, 0.244) ( 0.00, 0.00, 0.00) 248: electro ( 0.342, 0.528, 0.467) ( 0.342, 0.528, 0.467) ( 0.00, 0.00, 0.00) 248: 37 ( 0.096, -0.359, 0.906) ( 0.097, -0.351, 0.890) ( 0.00, 0.30, 1.47) 248: bond ( -1.065, -1.705, -0.491) ( -1.064, -1.702, -0.491) ( 0.09, 0.15, 0.01) 248: angle ( 2.772, -1.525, -0.719) ( 2.772, -1.525, -0.719) ( 0.02, 0.01, 0.00) 248: strbnd ( 0.823, 1.075, 0.277) ( 0.823, 1.075, 0.277) ( 0.00, 0.00, 0.00) 248: torsion ( 0.096, -0.361, 1.046) ( 0.096, -0.361, 1.046) ( 0.00, 0.00, 0.03) 248: oop ( 0.009, -0.035, 0.104) ( 0.007, -0.030, 0.087) ( 0.00, 0.02, 0.17) 248: vdw ( -4.611, 3.272, -0.769) ( -4.611, 3.272, -0.769) ( 0.00, 0.00, 0.00) 248: electro ( 2.074, -1.079, 1.460) ( 2.074, -1.079, 1.460) ( 0.00, 0.00, 0.00) 248: 38 ( 0.416, 0.331, -1.341) ( 0.421, 0.315, -1.283) ( 0.22, 0.54, 4.33) 248: bond ( -0.610, 1.154, 0.431) ( -0.609, 1.156, 0.432) ( 0.05, 0.23, 0.02) 248: angle ( 2.171, 1.091, 0.140) ( 2.172, 1.091, 0.140) ( 0.03, 0.01, 0.00) 248: strbnd ( 0.292, -0.874, -0.249) ( 0.292, -0.874, -0.249) ( 0.00, 0.00, 0.00) 248: torsion ( -0.070, 0.364, -1.074) ( -0.070, 0.364, -1.074) ( 0.00, 0.00, 0.03) 248: oop ( -0.025, 0.116, -0.346) ( -0.021, 0.097, -0.289) ( 0.01, 0.22, 1.99) 248: vdw ( -0.968, -2.087, -0.646) ( -0.967, -2.087, -0.646) ( 0.00, 0.00, 0.00) 248: electro ( -0.374, 0.569, 0.403) ( -0.374, 0.569, 0.403) ( 0.00, 0.00, 0.00) 248: 39 ( 0.380, 0.037, -1.541) ( 0.383, 0.036, -1.529) ( 0.11, 0.00, 0.79) 248: bond ( 1.161, 1.766, 0.453) ( 1.162, 1.769, 0.453) ( 0.09, 0.14, 0.01) 248: angle ( 0.496, -0.284, -0.165) ( 0.497, -0.284, -0.165) ( 0.02, 0.00, 0.00) 248: strbnd ( -0.428, -0.962, -0.256) ( -0.428, -0.962, -0.256) ( 0.00, 0.00, 0.00) 248: torsion ( -0.154, 0.452, -1.372) ( -0.154, 0.452, -1.372) ( 0.00, 0.00, 0.02) 248: oop ( -0.008, 0.023, -0.071) ( -0.007, 0.019, -0.059) ( 0.00, 0.01, 0.08) 248: vdw ( -0.423, -0.628, -0.165) ( -0.423, -0.628, -0.165) ( 0.00, 0.00, 0.00) 248: electro ( -0.264, -0.330, 0.035) ( -0.264, -0.330, 0.035) ( 0.00, 0.00, 0.00) 250: 1 (-94.849, 134.077, -232.261) (-94.840, 134.085, -232.257) ( 0.01, 0.01, 0.00) 250: bond (-98.615, 139.541, -241.698) (-98.607, 139.548, -241.694) ( 0.01, 0.01, 0.00) 250: angle (-17.077, 24.042, -41.606) (-17.076, 24.043, -41.605) ( 0.01, 0.00, 0.00) 250: strbnd ( 20.845, -29.505, 51.044) ( 20.845, -29.506, 51.044) ( 0.00, 0.00, 0.00) 250: torsion ( -0.002, -0.001, -0.002) ( -0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 2 (267.229, 1.097, -1.985) (267.239, 1.101, -1.981) ( 0.00, 0.37, 0.20) 250: bond (324.092, 0.002, 0.003) (324.102, 0.005, 0.006) ( 0.00, 0.00, 0.00) 250: angle ( -7.067, -9.049, 15.613) ( -7.066, -9.047, 15.614) ( 0.02, 0.02, 0.01) 250: strbnd (-54.347, 8.796, -15.254) (-54.349, 8.796, -15.255) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, 0.001, -0.000) ( 0.000, 0.001, -0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 (-92.994, -251.370, -1.993) (-92.989, -251.361, -1.989) ( 0.01, 0.00, 0.20) 250: bond (-108.221, -305.529, -0.016) (-108.218, -305.520, -0.013) ( 0.00, 0.00, 0.00) 250: angle ( 10.871, 3.619, 15.618) ( 10.872, 3.621, 15.619) ( 0.01, 0.04, 0.01) 250: strbnd ( 9.840, 54.186, -15.254) ( 9.840, 54.184, -15.254) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, -0.000, 0.003) ( 0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 4 (-92.879, 127.455, 216.653) (-92.874, 127.461, 216.661) ( 0.01, 0.00, 0.00) 250: bond (-107.982, 152.791, 264.561) (-107.978, 152.795, 264.568) ( 0.00, 0.00, 0.00) 250: angle ( 10.825, -15.317, 4.617) ( 10.827, -15.315, 4.619) ( 0.01, 0.01, 0.03) 250: strbnd ( 9.798, -13.878, -54.515) ( 9.798, -13.878, -54.516) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 ( 14.020, 33.684, -0.046) ( 14.021, 33.686, -0.046) ( 0.01, 0.01, 0.00) 250: bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) 250: angle ( 2.316, 0.820, -0.007) ( 2.316, 0.820, -0.006) ( 0.02, 0.00, 0.00) 250: strbnd ( 13.869, 5.072, 0.000) ( 13.869, 5.072, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 6 ( 7.090, -16.075, 27.884) ( 7.091, -16.074, 27.886) ( 0.01, 0.01, 0.01) 250: bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) 250: angle ( 2.371, -0.399, 0.737) ( 2.371, -0.398, 0.737) ( 0.02, 0.01, 0.01) 250: strbnd ( 13.871, -2.534, 4.389) ( 13.871, -2.534, 4.389) ( 0.00, 0.00, 0.00) 249: 1 ( -0.011, 0.008, -0.002) ( -0.007, 0.009, 0.001) ( 0.00, 0.00, 0.00) 249: bond (-15.066, 0.590, 13.579) (-15.064, 0.590, 13.581) ( 0.02, 0.02, 0.01) 249: angle ( 8.215, 21.265, -1.187) ( 8.215, 21.265, -1.186) ( 0.01, 0.00, 0.09) 249: strbnd ( 13.283, 1.537, -11.705) ( 13.283, 1.537, -11.705) ( 0.00, 0.01, 0.00) 249: torsion ( 0.469, -0.818, -0.491) ( 0.469, -0.818, -0.491) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw (-16.349, -14.076, -9.889) (-16.349, -14.076, -9.889) ( 0.00, 0.00, 0.00) 249: electro ( 9.439, -8.489, 9.691) ( 9.439, -8.489, 9.691) ( 0.00, 0.00, 0.00) 249: 2 ( 0.049, -0.041, -0.050) ( 0.056, -0.038, -0.044) ( 0.03, 0.01, 0.03) 249: bond ( -1.989, -5.973, 5.396) ( -1.982, -5.971, 5.401) ( 0.31, 0.05, 0.09) 249: angle ( 12.171, 18.575, -1.290) ( 12.172, 18.576, -1.289) ( 0.01, 0.01, 0.12) 249: strbnd ( -6.382, -16.381, 1.658) ( -6.383, -16.382, 1.658) ( 0.01, 0.00, 0.03) 249: torsion ( 1.307, -0.613, -0.923) ( 1.307, -0.613, -0.923) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.101, 3.444, -3.337) ( -4.101, 3.444, -3.336) ( 0.00, 0.00, 0.00) 249: electro ( -0.957, 0.907, -1.554) ( -0.957, 0.907, -1.554) ( 0.00, 0.00, 0.00) 249: 3 ( -0.003, 0.017, 0.026) ( -0.002, 0.019, 0.030) ( 0.00, 0.00, 0.01) 249: bond ( 0.886, -2.327, -4.505) ( 0.886, -2.325, -4.501) ( 0.02, 0.05, 0.10) 249: angle ( -9.163, -7.934, 2.295) ( -9.162, -7.934, 2.295) ( 0.01, 0.00, 0.00) 249: strbnd ( 0.035, -1.201, -0.650) ( 0.035, -1.201, -0.650) ( 0.00, 0.01, 0.01) 249: torsion ( -1.075, 0.327, -0.381) ( -1.075, 0.327, -0.381) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -2.954, 9.054, -3.466) ( -2.954, 9.054, -3.466) ( 0.00, 0.00, 0.00) 249: electro ( 12.267, 2.097, 6.733) ( 12.267, 2.097, 6.733) ( 0.00, 0.00, 0.00) 249: 4 ( -0.066, 0.014, 0.013) ( -0.060, 0.015, 0.014) ( 0.04, 0.00, 0.00) 249: bond ( -1.807, 0.231, 0.350) ( -1.802, 0.231, 0.350) ( 0.32, 0.00, 0.01) 249: angle ( -2.264, -11.394, -4.125) ( -2.264, -11.394, -4.124) ( 0.00, 0.01, 0.01) 249: strbnd ( -1.121, -0.534, 0.432) ( -1.121, -0.534, 0.432) ( 0.00, 0.00, 0.00) 249: torsion ( 0.219, 0.087, 1.070) ( 0.219, 0.087, 1.070) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -5.300, 9.953, -11.232) ( -5.300, 9.953, -11.232) ( 0.00, 0.00, 0.00) 249: electro ( 10.207, 1.672, 13.519) ( 10.207, 1.672, 13.519) ( 0.00, 0.00, 0.00) 249: 5 ( 0.024, -0.012, 0.001) ( 0.031, -0.008, 0.006) ( 0.02, 0.00, 0.00) 249: bond ( -2.431, 13.799, -9.128) ( -2.426, 13.802, -9.124) ( 0.21, 0.02, 0.05) 249: angle (-13.514, -12.442, 3.433) (-13.512, -12.439, 3.435) ( 0.02, 0.02, 0.07) 249: strbnd ( 10.215, 7.073, 7.282) ( 10.214, 7.072, 7.280) ( 0.01, 0.02, 0.02) 249: torsion ( -0.178, -0.134, -0.164) ( -0.178, -0.134, -0.164) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -3.406, 1.106, 0.053) ( -3.406, 1.106, 0.053) ( 0.00, 0.00, 0.00) 249: electro ( 9.338, -9.414, -1.474) ( 9.338, -9.414, -1.474) ( 0.00, 0.00, 0.00) 249: 6 ( -0.012, 0.002, 0.003) ( -0.008, 0.003, 0.004) ( 0.01, 0.00, 0.00) 249: bond ( 1.492, -0.032, 0.115) ( 1.496, -0.032, 0.116) ( 0.29, 0.00, 0.00) 249: angle ( 0.143, 3.198, -0.968) ( 0.143, 3.199, -0.968) ( 0.00, 0.02, 0.08) 249: strbnd ( 0.299, 1.855, -1.309) ( 0.299, 1.855, -1.309) ( 0.00, 0.00, 0.00) 248: 40 ( -0.101, 0.325, 0.544) ( -0.076, 0.526, 0.340) ( 0.26, 6.53, 11.09) 248: bond ( 1.250, -2.067, -1.848) ( 1.251, -2.065, -1.846) ( 0.07, 0.11, 0.10) 248: angle ( -6.227, -1.125, -2.962) ( -6.226, -1.124, -2.961) ( 0.01, 0.01, 0.00) 248: strbnd ( -0.245, -0.553, -0.380) ( -0.245, -0.553, -0.380) ( 0.00, 0.00, 0.00) 248: torsion ( 1.954, -0.617, 2.015) ( 1.954, -0.617, 2.015) ( 0.00, 0.01, 0.00) 248: oop ( -0.207, -1.458, 1.491) ( -0.183, -1.260, 1.285) ( 0.50, 13.62, 13.81) 248: vdw ( -0.907, 0.415, -2.870) ( -0.907, 0.416, -2.870) ( 0.01, 0.00, 0.00) 248: electro ( 4.281, 5.730, 5.098) ( 4.281, 5.730, 5.098) ( 0.00, 0.00, 0.00) 248: 41 ( 0.150, -0.326, -1.122) ( 0.156, -0.330, -1.156) ( 0.09, 0.11, 3.09) 248: bond ( 1.745, -1.007, 0.287) ( 1.748, -1.006, 0.287) ( 0.17, 0.10, 0.00) 248: angle ( 0.464, 0.801, -0.015) ( 0.464, 0.801, -0.015) ( 0.01, 0.05, 0.00) 248: strbnd ( 0.646, 0.353, -0.007) ( 0.646, 0.352, -0.007) ( 0.00, 0.00, 0.00) 248: torsion ( 0.413, -0.701, -4.980) ( 0.413, -0.701, -4.980) ( 0.00, 0.00, 0.01) 248: oop ( -0.012, 0.022, 0.147) ( -0.009, 0.017, 0.112) ( 0.00, 0.01, 0.51) 248: vdw ( -2.888, -0.070, 2.547) ( -2.888, -0.069, 2.547) ( 0.00, 0.00, 0.00) 248: electro ( -0.219, 0.276, 0.899) ( -0.219, 0.276, 0.899) ( 0.00, 0.00, 0.00) 248: 42 ( -0.022, 0.418, 1.179) ( -0.018, 0.419, 1.187) ( 0.01, 0.04, 0.61) 248: bond ( -1.375, 0.917, 0.310) ( -1.372, 0.918, 0.310) ( 0.19, 0.11, 0.00) 248: angle ( 3.321, 4.944, 0.058) ( 3.321, 4.944, 0.059) ( 0.01, 0.01, 0.00) 248: strbnd ( -1.480, 0.664, 0.304) ( -1.480, 0.664, 0.304) ( 0.00, 0.00, 0.00) 248: torsion ( -0.662, 0.518, -4.465) ( -0.662, 0.518, -4.465) ( 0.00, 0.00, 0.01) 248: oop ( -0.006, 0.005, -0.042) ( -0.005, 0.004, -0.035) ( 0.00, 0.00, 0.03) 248: vdw ( -0.590, -7.239, 3.112) ( -0.590, -7.239, 3.112) ( 0.00, 0.00, 0.00) 248: electro ( 0.772, 0.610, 1.902) ( 0.772, 0.610, 1.902) ( 0.00, 0.00, 0.00) 248: 43 ( -0.711, 0.449, 1.668) ( -0.708, 0.450, 1.671) ( 0.25, 0.04, 0.19) 248: bond ( 1.870, 0.804, -0.109) ( 1.873, 0.804, -0.109) ( 0.17, 0.05, 0.00) 248: angle ( -0.221, 0.524, 0.072) ( -0.221, 0.524, 0.072) ( 0.00, 0.03, 0.00) 248: strbnd ( -1.440, -0.145, 0.136) ( -1.440, -0.145, 0.136) ( 0.00, 0.00, 0.00) 248: torsion ( 0.118, -0.120, 1.139) ( 0.118, -0.120, 1.139) ( 0.00, 0.00, 0.03) 248: oop ( -0.002, 0.002, -0.018) ( -0.002, 0.002, -0.015) ( 0.00, 0.00, 0.00) 248: vdw ( -0.750, -0.350, 0.003) ( -0.750, -0.350, 0.003) ( 0.00, 0.00, 0.00) 248: electro ( -0.286, -0.265, 0.445) ( -0.286, -0.265, 0.445) ( 0.00, 0.00, 0.00) 248: 44 ( -1.146, 0.069, 0.778) ( -1.144, 0.072, 0.786) ( 0.13, 0.02, 0.61) 248: bond ( 0.202, 1.622, 0.146) ( 0.202, 1.625, 0.146) ( 0.00, 0.23, 0.00) 248: angle ( -1.147, 0.132, 0.122) ( -1.147, 0.132, 0.122) ( 0.06, 0.00, 0.00) 248: strbnd ( -0.299, -0.281, 0.005) ( -0.299, -0.281, 0.005) ( 0.00, 0.00, 0.00) 248: torsion ( 0.051, -0.056, 0.548) ( 0.051, -0.056, 0.549) ( 0.00, 0.00, 0.02) 248: oop ( -0.004, 0.004, -0.044) ( -0.004, 0.004, -0.036) ( 0.00, 0.00, 0.03) 248: vdw ( -0.104, -0.746, -0.073) ( -0.104, -0.746, -0.073) ( 0.00, 0.00, 0.00) 248: electro ( 0.156, -0.607, 0.072) ( 0.156, -0.607, 0.072) ( 0.00, 0.00, 0.00) 248: 45 ( -0.998, -0.419, -0.572) ( -0.996, -0.416, -0.587) ( 0.13, 0.13, 0.80) 248: bond ( -2.026, 1.473, 0.312) ( -2.024, 1.474, 0.312) ( 0.12, 0.09, 0.00) 248: angle ( -0.884, -1.211, -0.011) ( -0.883, -1.211, -0.011) ( 0.02, 0.04, 0.00) 248: strbnd ( 0.669, 0.039, -0.071) ( 0.669, 0.039, -0.071) ( 0.00, 0.00, 0.00) 248: torsion ( -0.083, 0.075, -0.891) ( -0.083, 0.075, -0.891) ( 0.00, 0.00, 0.03) 250: torsion ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 7 ( 14.159, -16.794, -29.238) ( 14.160, -16.793, -29.236) ( 0.01, 0.01, 0.01) 250: bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) 250: angle ( 2.378, -0.394, -0.743) ( 2.378, -0.394, -0.742) ( 0.02, 0.01, 0.01) 250: strbnd ( 13.873, -2.530, -4.384) ( 13.873, -2.530, -4.384) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.001, 0.000) ( 0.000, -0.001, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 8 ( 27.412, -19.113, -1.101) ( 27.414, -19.112, -1.100) ( 0.01, 0.00, 0.05) 250: bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) 250: angle ( -0.000, -2.447, -0.010) ( 0.000, -2.447, -0.009) ( 0.00, 0.02, 0.00) 250: strbnd ( 0.148, -14.767, -0.000) ( 0.148, -14.767, -0.000) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 9 (-19.291, -2.738, 27.067) (-19.291, -2.737, 27.069) ( 0.00, 0.04, 0.01) 250: bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) 250: angle ( -1.157, -2.100, 0.740) ( -1.157, -2.099, 0.740) ( 0.03, 0.02, 0.01) 250: strbnd ( -7.020, -12.229, 4.389) ( -7.020, -12.229, 4.389) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 10 (-19.016, -5.032, -27.526) (-19.015, -5.031, -27.524) ( 0.00, 0.02, 0.01) 250: bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) 250: angle ( -1.152, -2.108, -0.747) ( -1.152, -2.107, -0.746) ( 0.03, 0.02, 0.01) 250: strbnd ( -7.016, -12.234, -4.385) ( -7.016, -12.234, -4.385) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, -0.000, -0.000) ( 0.001, -0.000, -0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 11 ( 27.424, 10.493, 15.999) ( 27.427, 10.494, 16.000) ( 0.01, 0.01, 0.00) 250: bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) 250: angle ( 0.001, 1.221, 2.128) ( 0.001, 1.221, 2.129) ( 0.00, 0.03, 0.02) 250: strbnd ( 0.159, 7.384, 12.785) ( 0.159, 7.384, 12.785) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 12 (-19.052, 26.348, -9.424) (-19.051, 26.349, -9.422) ( 0.00, 0.00, 0.02) 250: bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) 250: angle ( -1.160, 1.692, 1.451) ( -1.160, 1.692, 1.451) ( 0.03, 0.02, 0.01) 250: strbnd ( -7.010, 9.918, 8.398) ( -7.010, 9.918, 8.398) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 (-19.294, -22.069, 15.940) (-19.293, -22.066, 15.940) ( 0.00, 0.01, 0.00) 250: bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) 250: angle ( -1.157, 0.410, 2.200) ( -1.157, 0.410, 2.200) ( 0.03, 0.00, 0.02) 250: strbnd ( -7.007, 2.322, 12.788) ( -7.007, 2.322, 12.788) ( 0.00, 0.00, 0.00) 250: torsion ( 0.002, -0.001, 0.001) ( 0.002, -0.001, 0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 12 # gradients 250: ok 13 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 249: torsion ( -0.068, 0.501, 1.024) ( -0.068, 0.501, 1.024) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.080, -0.124, -0.022) ( 0.080, -0.124, -0.022) ( 0.00, 0.00, 0.00) 249: electro ( -1.958, -5.395, 1.163) ( -1.958, -5.395, 1.163) ( 0.00, 0.00, 0.00) 249: 7 ( -0.003, 0.001, -0.011) ( -0.002, 0.003, -0.008) ( 0.00, 0.00, 0.00) 249: bond ( 1.037, -1.995, -2.372) ( 1.037, -1.994, -2.370) ( 0.04, 0.08, 0.10) 249: angle ( 7.753, 4.193, -0.134) ( 7.753, 4.193, -0.134) ( 0.01, 0.01, 0.00) 249: strbnd ( -1.461, 4.844, 2.139) ( -1.461, 4.844, 2.139) ( 0.01, 0.00, 0.00) 249: torsion ( -0.878, -0.004, -0.381) ( -0.878, -0.004, -0.381) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.671, -0.499, -3.122) ( -4.671, -0.499, -3.122) ( 0.00, 0.00, 0.00) 249: electro ( -1.784, -6.538, 3.859) ( -1.784, -6.538, 3.859) ( 0.00, 0.00, 0.00) 249: 8 ( -0.032, -0.009, -0.062) ( -0.026, -0.003, -0.056) ( 0.02, 0.01, 0.04) 249: bond ( 28.388, -6.583, 25.817) ( 28.392, -6.579, 25.822) ( 0.01, 0.07, 0.02) 249: angle ( 20.852, -42.145, 9.628) ( 20.855, -42.143, 9.631) ( 0.01, 0.01, 0.03) 249: strbnd (-22.777, 13.988, -5.015) (-22.779, 13.987, -5.016) ( 0.01, 0.01, 0.03) 249: torsion ( 0.321, 0.437, 0.397) ( 0.321, 0.437, 0.397) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -4.001, -4.773, -0.834) ( -4.001, -4.773, -0.833) ( 0.00, 0.00, 0.01) 249: electro (-22.814, 39.068, -30.055) (-22.814, 39.068, -30.055) ( 0.00, 0.00, 0.00) 249: 9 ( -0.012, -0.016, 0.015) ( -0.010, -0.015, 0.019) ( 0.00, 0.00, 0.01) 249: bond ( 4.898, 2.108, -13.219) ( 4.899, 2.108, -13.215) ( 0.01, 0.00, 0.03) 249: angle (-15.468, 14.840, -3.366) (-15.467, 14.841, -3.366) ( 0.00, 0.01, 0.00) 249: strbnd ( 2.100, -0.558, 3.958) ( 2.100, -0.557, 3.957) ( 0.00, 0.00, 0.00) 249: torsion ( -0.237, 0.413, -0.022) ( -0.237, 0.413, -0.022) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.287, -9.907, -2.057) ( 2.287, -9.907, -2.057) ( 0.01, 0.00, 0.00) 249: electro ( 6.408, -6.914, 14.722) ( 6.408, -6.914, 14.722) ( 0.00, 0.00, 0.00) 249: 10 ( 0.005, 0.002, -0.008) ( 0.006, 0.006, -0.007) ( 0.00, 0.00, 0.00) 249: bond ( -0.622, 8.610, -1.046) ( -0.621, 8.614, -1.046) ( 0.00, 0.05, 0.01) 249: angle ( -2.836, -0.584, -3.128) ( -2.836, -0.584, -3.128) ( 0.03, 0.00, 0.03) 249: strbnd ( 3.566, -9.587, 2.403) ( 3.565, -9.587, 2.403) ( 0.00, 0.00, 0.00) 249: torsion ( 0.022, -0.015, -0.134) ( 0.022, -0.015, -0.134) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -6.627, -4.176, -5.962) ( -6.626, -4.176, -5.962) ( 0.00, 0.00, 0.00) 249: electro ( 6.502, 5.754, 7.859) ( 6.502, 5.754, 7.859) ( 0.00, 0.00, 0.00) 249: 11 ( 0.002, 0.013, 0.066) ( 0.007, 0.019, 0.072) ( 0.00, 0.01, 0.04) 249: bond ( 1.773, 2.387, -5.000) ( 1.776, 2.390, -4.997) ( 0.16, 0.12, 0.06) 249: angle ( 0.727, 15.938, -2.297) ( 0.730, 15.941, -2.294) ( 0.20, 0.02, 0.12) 249: strbnd ( 3.999, 0.582, 7.350) ( 3.998, 0.581, 7.349) ( 0.02, 0.04, 0.01) 249: torsion ( 0.269, -0.168, -0.155) ( 0.269, -0.168, -0.155) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw (-12.090, -5.836, -10.984) (-12.090, -5.836, -10.983) ( 0.00, 0.00, 0.00) 249: electro ( 5.324, -12.890, 11.152) ( 5.324, -12.890, 11.152) ( 0.00, 0.00, 0.00) 249: 12 ( 0.053, 0.047, 0.012) ( 0.059, 0.054, 0.016) ( 0.03, 0.03, 0.00) 248: oop ( 0.008, -0.007, 0.085) ( 0.007, -0.006, 0.071) ( 0.00, 0.00, 0.12) 248: vdw ( 0.563, -0.681, -0.091) ( 0.563, -0.681, -0.091) ( 0.00, 0.00, 0.00) 248: electro ( 0.755, -0.106, 0.094) ( 0.755, -0.106, 0.094) ( 0.00, 0.00, 0.00) 248: 46 ( -0.462, -0.436, -1.022) ( -0.460, -0.433, -1.035) ( 0.08, 0.10, 1.34) 248: bond ( -1.548, -0.548, 0.144) ( -1.545, -0.547, 0.145) ( 0.21, 0.02, 0.00) 248: angle ( -2.690, 7.839, 0.924) ( -2.690, 7.840, 0.924) ( 0.00, 0.01, 0.00) 248: strbnd ( 2.263, 1.431, -0.188) ( 2.263, 1.431, -0.188) ( 0.00, 0.00, 0.00) 248: torsion ( -0.041, 0.010, -0.399) ( -0.041, 0.010, -0.398) ( 0.00, 0.00, 0.01) 248: oop ( 0.011, -0.007, 0.092) ( 0.009, -0.006, 0.078) ( 0.00, 0.00, 0.13) 248: vdw ( 2.373, -10.506, -1.864) ( 2.373, -10.506, -1.864) ( 0.00, 0.00, 0.00) 248: electro ( -0.829, 1.345, 0.268) ( -0.829, 1.345, 0.268) ( 0.00, 0.00, 0.00) 248: 47 ( -0.364, 0.001, 0.224) ( -0.363, 0.002, 0.227) ( 0.04, 0.00, 0.06) 248: bond ( 2.065, 0.651, 4.277) ( 2.066, 0.651, 4.280) ( 0.03, 0.01, 0.06) 248: angle ( -1.189, 0.877, 0.440) ( -1.189, 0.878, 0.440) ( 0.04, 0.06, 0.01) 248: strbnd ( -1.004, -2.559, -2.464) ( -1.004, -2.559, -2.464) ( 0.00, 0.00, 0.00) 248: torsion ( 0.081, 1.012, -0.193) ( 0.081, 1.012, -0.193) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.317, 0.020, -1.836) ( -0.317, 0.020, -1.835) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 48 ( 0.158, 0.208, 0.381) ( 0.161, 0.209, 0.382) ( 0.05, 0.03, 0.02) 248: bond ( -1.345, -0.662, -0.174) ( -1.342, -0.661, -0.174) ( 0.21, 0.04, 0.00) 248: angle ( 2.482, -5.347, 1.171) ( 2.482, -5.347, 1.171) ( 0.00, 0.01, 0.04) 248: strbnd ( -0.569, -0.838, -0.623) ( -0.569, -0.838, -0.623) ( 0.00, 0.00, 0.00) 248: torsion ( 0.479, -1.375, 1.531) ( 0.479, -1.375, 1.531) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.889, 8.429, -1.524) ( -0.889, 8.429, -1.524) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 49 ( 0.370, -0.684, 0.437) ( 0.371, -0.684, 0.441) ( 0.03, 0.03, 0.14) 248: bond ( -0.186, 0.025, -0.685) ( -0.186, 0.025, -0.682) ( 0.00, 0.00, 0.22) 248: angle ( 1.336, -2.129, -0.442) ( 1.336, -2.128, -0.442) ( 0.04, 0.02, 0.00) 248: strbnd ( 0.611, -0.262, -0.310) ( 0.611, -0.262, -0.310) ( 0.00, 0.00, 0.00) 248: torsion ( -0.104, -0.201, 0.021) ( -0.104, -0.201, 0.021) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.287, 1.882, 1.854) ( -1.287, 1.882, 1.854) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 50 ( 0.588, 0.088, 1.012) ( 0.589, 0.092, 1.013) ( 0.04, 0.03, 0.07) 248: bond ( 0.403, -2.471, 0.627) ( 0.403, -2.468, 0.627) ( 0.00, 0.12, 0.01) 248: angle ( 5.516, 0.699, -0.794) ( 5.517, 0.699, -0.793) ( 0.01, 0.00, 0.04) 248: strbnd ( 0.314, 1.208, -0.817) ( 0.314, 1.208, -0.817) ( 0.00, 0.00, 0.00) 248: torsion ( -0.531, -0.207, -0.474) ( -0.531, -0.207, -0.474) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.114, 0.860, 2.470) ( -5.114, 0.860, 2.470) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 51 ( -0.316, -0.193, -0.505) ( -0.315, -0.192, -0.503) ( 0.06, 0.02, 0.10) 248: bond ( 0.716, -0.298, -0.826) ( 0.717, -0.297, -0.824) ( 0.10, 0.01, 0.15) 16: OK 16: Testing gen3D(3): [C@H]([C@@H](C(=O)O)O)(C(=O)O)O 250: 1 ( 0.188, -0.341, -0.447) ( 0.196, -0.337, -0.439) ( 0.15, 0.15, 0.35) 250: bond ( 12.215, -2.444, -2.026) ( 12.221, -2.440, -2.025) ( 0.05, 0.20, 0.04) 250: angle ( 1.031, 1.567, 0.419) ( 1.033, 1.568, 0.419) ( 0.17, 0.09, 0.01) 250: strbnd ( -0.276, 0.595, 0.200) ( -0.276, 0.595, 0.200) ( 0.00, 0.01, 0.00) 250: torsion ( 0.026, -0.060, 0.134) ( 0.026, -0.060, 0.135) ( 0.00, 0.00, 0.02) 250: oop ( -0.003, 0.011, -0.034) ( -0.003, 0.009, -0.028) ( 0.00, 0.00, 0.02) 250: vdw (-13.301, 0.238, 1.219) (-13.301, 0.238, 1.219) ( 0.00, 0.00, 0.00) 250: electro ( 0.497, -0.246, -0.360) ( 0.497, -0.246, -0.360) ( 0.00, 0.00, 0.00) 250: 2 ( 0.154, -0.533, 0.257) ( 0.159, -0.515, 0.227) ( 0.07, 0.95, 0.78) 250: bond ( 8.668, -9.202, -3.657) ( 8.674, -9.197, -3.657) ( 0.06, 0.06, 0.02) 250: angle ( 1.060, -2.236, -0.846) ( 1.061, -2.234, -0.846) ( 0.15, 0.07, 0.02) 250: strbnd ( -2.306, -0.145, 0.209) ( -2.306, -0.145, 0.209) ( 0.01, 0.00, 0.00) 250: torsion ( -0.009, -0.028, 0.128) ( -0.009, -0.028, 0.129) ( 0.00, 0.00, 0.02) 250: oop ( 0.014, -0.067, 0.198) ( 0.012, -0.056, 0.166) ( 0.00, 0.08, 0.65) 250: vdw ( -6.352, 11.522, 4.701) ( -6.352, 11.522, 4.701) ( 0.00, 0.00, 0.00) 250: electro ( -0.922, -0.376, -0.475) ( -0.922, -0.376, -0.475) ( 0.00, 0.00, 0.00) 250: 3 ( -0.038, -0.435, 0.232) ( -0.028, -0.444, 0.280) ( 0.04, 0.40, 1.12) 250: bond ( -6.462, -14.039, -4.598) ( -6.457, -14.034, -4.597) ( 0.08, 0.04, 0.02) 250: angle ( 4.729, 7.796, 2.474) ( 4.731, 7.798, 2.474) ( 0.04, 0.02, 0.01) 250: strbnd ( 3.737, -3.706, -1.522) ( 3.737, -3.707, -1.522) ( 0.00, 0.00, 0.00) 250: torsion ( 0.300, -2.114, 5.663) ( 0.300, -2.114, 5.664) ( 0.00, 0.01, 0.02) 250: oop ( -0.022, 0.095, -0.277) ( -0.019, 0.079, -0.231) ( 0.01, 0.15, 1.28) 250: vdw ( -2.173, 13.069, 0.311) ( -2.172, 13.069, 0.311) ( 0.01, 0.00, 0.00) 250: electro ( -0.148, -1.535, -1.819) ( -0.148, -1.535, -1.819) ( 0.00, 0.00, 0.00) 250: 4 ( 0.339, 2.335, -1.508) ( 0.354, 2.156, -1.322) ( 0.49, 7.67, 12.33) 250: bond ( -4.734, 2.347, 1.095) ( -4.729, 2.352, 1.096) ( 0.11, 0.20, 0.07) 250: angle (-10.062, -2.611, 4.140) (-10.060, -2.609, 4.140) ( 0.02, 0.07, 0.01) 250: strbnd ( 3.811, 0.602, 0.274) ( 3.811, 0.601, 0.274) ( 0.00, 0.01, 0.00) 250: torsion ( -0.109, 2.386, -1.969) ( -0.109, 2.387, -1.968) ( 0.00, 0.01, 0.06) 250: oop ( -0.042, 1.022, -1.056) ( -0.035, 0.836, -0.873) ( 0.03, 18.16, 17.37) 250: vdw ( 9.138, -2.304, -5.262) ( 9.139, -2.304, -5.262) ( 0.00, 0.00, 0.00) 250: electro ( 2.337, 0.892, 1.269) ( 2.337, 0.892, 1.269) ( 0.00, 0.00, 0.00) 250: 5 ( 0.329, -0.092, -0.786) ( 0.325, -0.035, -0.926) ( 0.14, 0.53, 10.94) 250: bond ( -9.877, 12.321, 6.024) ( -9.872, 12.326, 6.025) ( 0.05, 0.04, 0.01) 250: angle ( 0.777, -3.545, -1.191) ( 0.779, -3.544, -1.191) ( 0.13, 0.04, 0.02) 250: strbnd ( 3.218, 2.140, 0.609) ( 3.218, 2.140, 0.609) ( 0.01, 0.01, 0.00) 250: torsion ( 0.010, 0.739, -2.169) ( 0.010, 0.739, -2.168) ( 0.00, 0.01, 0.06) 250: oop ( 0.069, -0.304, 0.854) ( 0.058, -0.253, 0.713) ( 0.08, 1.53, 12.07) 250: vdw ( 4.433, -11.904, -4.594) ( 4.433, -11.904, -4.594) ( 0.00, 0.00, 0.00) 250: electro ( 1.700, 0.460, -0.319) ( 1.700, 0.460, -0.319) ( 0.00, 0.00, 0.00) 250: 6 ( 0.290, 0.013, -0.920) ( 0.298, 0.013, -0.902) ( 0.24, 0.00, 1.63) 250: bond ( 10.935, 11.123, 2.675) ( 10.940, 11.128, 2.676) ( 0.05, 0.04, 0.03) 250: angle ( -1.841, 0.246, 0.285) ( -1.839, 0.247, 0.285) ( 0.09, 0.04, 0.01) 250: strbnd ( -0.658, 0.437, 0.063) ( -0.658, 0.437, 0.063) ( 0.01, 0.01, 0.00) 249: bond ( 12.471, 8.264, -8.201) ( 12.475, 8.269, -8.198) ( 0.03, 0.05, 0.04) 249: angle ( -4.431, -3.492, 12.184) ( -4.428, -3.490, 12.186) ( 0.05, 0.06, 0.02) 249: strbnd ( -0.524, -0.135, -1.592) ( -0.525, -0.135, -1.593) ( 0.04, 0.01, 0.09) 249: torsion ( 0.324, 0.205, -0.795) ( 0.324, 0.205, -0.795) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -2.153, -5.825, 12.012) ( -2.153, -5.825, 12.012) ( 0.01, 0.00, 0.00) 249: electro ( -5.634, 1.031, -13.597) ( -5.634, 1.031, -13.597) ( 0.00, 0.00, 0.00) 249: 13 ( -0.033, 0.044, -0.066) ( -0.028, 0.050, -0.060) ( 0.02, 0.02, 0.04) 249: bond ( -1.022, 2.769, -11.636) ( -1.018, 2.773, -11.632) ( 0.38, 0.15, 0.04) 249: angle ( 2.667, -0.692, 3.803) ( 2.669, -0.690, 3.805) ( 0.08, 0.14, 0.05) 249: strbnd ( -0.724, -0.340, -1.109) ( -0.725, -0.341, -1.109) ( 0.06, 0.02, 0.06) 249: torsion ( 0.405, 1.098, -1.920) ( 0.405, 1.098, -1.920) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -1.359, -2.790, 10.796) ( -1.359, -2.790, 10.796) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 14 ( 0.007, -0.025, 0.013) ( 0.013, -0.021, 0.019) ( 0.00, 0.01, 0.01) 249: bond ( 11.175, -20.171, 13.213) ( 11.179, -20.168, 13.217) ( 0.04, 0.02, 0.03) 249: angle ( 2.571, 9.759, 3.518) ( 2.573, 9.761, 3.520) ( 0.08, 0.02, 0.06) 249: strbnd ( -2.280, 2.701, -3.055) ( -2.280, 2.700, -3.056) ( 0.02, 0.05, 0.02) 249: torsion ( -0.110, -0.615, 0.673) ( -0.110, -0.615, 0.673) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.374, 10.869, -0.069) ( 0.374, 10.869, -0.069) ( 0.01, 0.00, 0.00) 249: electro (-11.723, -2.568, -14.267) (-11.723, -2.568, -14.267) ( 0.00, 0.00, 0.00) 249: 15 ( 0.013, -0.037, -0.024) ( 0.019, -0.032, -0.019) ( 0.01, 0.02, 0.01) 249: bond ( -3.351, -12.352, -4.364) ( -3.347, -12.347, -4.360) ( 0.12, 0.03, 0.09) 249: angle ( 1.262, 4.111, 2.963) ( 1.264, 4.113, 2.965) ( 0.16, 0.05, 0.07) 249: strbnd ( 0.414, -1.051, 0.669) ( 0.413, -1.052, 0.669) ( 0.03, 0.07, 0.04) 249: torsion ( 0.521, -2.349, -0.078) ( 0.521, -2.349, -0.078) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 1.168, 11.604, 0.785) ( 1.168, 11.604, 0.785) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 16 ( -0.001, 0.047, -0.037) ( 0.003, 0.054, -0.031) ( 0.00, 0.03, 0.02) 249: bond (-10.254, 10.924, 12.441) (-10.251, 10.929, 12.446) ( 0.03, 0.04, 0.03) 249: angle ( 11.832, -5.832, 1.537) ( 11.834, -5.830, 1.540) ( 0.02, 0.04, 0.14) 249: strbnd ( 3.079, -1.593, -1.792) ( 3.078, -1.593, -1.793) ( 0.04, 0.03, 0.03) 249: torsion ( -0.671, 0.413, 0.394) ( -0.671, 0.413, 0.394) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 10.629, -5.544, -4.869) ( 10.629, -5.544, -4.869) ( 0.00, 0.00, 0.00) 249: electro (-14.616, 1.679, -7.750) (-14.616, 1.679, -7.750) ( 0.00, 0.00, 0.00) 249: 17 ( 0.044, -0.013, -0.069) ( 0.050, -0.007, -0.064) ( 0.02, 0.01, 0.04) 249: bond (-11.600, 1.517, 0.561) (-11.596, 1.521, 0.565) ( 0.04, 0.28, 0.22) 249: angle ( 4.361, 1.078, 1.006) ( 4.363, 1.080, 1.008) ( 0.05, 0.19, 0.21) 249: strbnd ( -1.688, -0.141, -0.612) ( -1.689, -0.142, -0.613) ( 0.04, 0.01, 0.05) 249: torsion ( -1.913, 0.730, 0.873) ( -1.913, 0.730, 0.873) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: angle ( 1.189, -5.329, 2.958) ( 1.189, -5.328, 2.959) ( 0.03, 0.01, 0.01) 248: strbnd ( -0.047, -0.589, -0.422) ( -0.047, -0.589, -0.422) ( 0.00, 0.00, 0.00) 248: torsion ( 0.936, -0.735, 1.080) ( 0.936, -0.735, 1.080) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.110, 6.758, -3.296) ( -3.110, 6.758, -3.296) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 52 ( -0.101, -0.092, -0.176) ( -0.100, -0.090, -0.175) ( 0.01, 0.02, 0.01) 248: bond ( 1.134, -2.431, 0.852) ( 1.134, -2.428, 0.852) ( 0.05, 0.10, 0.03) 248: angle ( -3.696, -1.139, 1.674) ( -3.696, -1.138, 1.675) ( 0.01, 0.01, 0.03) 248: strbnd ( -1.209, 1.211, -0.450) ( -1.209, 1.211, -0.450) ( 0.00, 0.00, 0.00) 248: torsion ( -0.018, 0.060, 0.194) ( -0.018, 0.060, 0.194) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 3.689, 2.206, -2.447) ( 3.689, 2.206, -2.447) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 53 ( 0.304, -0.091, -0.474) ( 0.305, -0.090, -0.471) ( 0.04, 0.01, 0.12) 248: bond ( -0.341, -0.134, -0.569) ( -0.341, -0.134, -0.567) ( 0.03, 0.00, 0.14) 248: angle ( 0.912, -4.148, 0.434) ( 0.913, -4.147, 0.434) ( 0.03, 0.01, 0.01) 248: strbnd ( -0.362, -0.327, 0.331) ( -0.362, -0.327, 0.331) ( 0.00, 0.00, 0.00) 248: torsion ( 0.427, -0.471, -0.145) ( 0.427, -0.471, -0.145) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.333, 4.990, -0.524) ( -0.333, 4.990, -0.524) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 54 ( 0.047, 0.327, 0.213) ( 0.048, 0.328, 0.216) ( 0.00, 0.04, 0.06) 248: bond ( 0.044, 0.448, -1.022) ( 0.044, 0.449, -1.019) ( 0.00, 0.02, 0.28) 248: angle ( -5.073, 4.709, 1.855) ( -5.072, 4.710, 1.855) ( 0.01, 0.01, 0.00) 248: strbnd ( -0.688, -1.108, -0.508) ( -0.688, -1.108, -0.508) ( 0.00, 0.00, 0.00) 248: torsion ( 0.301, 0.513, 0.239) ( 0.301, 0.513, 0.239) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 5.463, -4.236, -0.352) ( 5.463, -4.236, -0.352) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 55 ( -0.139, -0.301, 0.325) ( -0.139, -0.299, 0.327) ( 0.01, 0.06, 0.06) 248: bond ( 0.004, -0.058, -0.057) ( 0.004, -0.056, -0.056) ( 0.00, 0.01, 0.01) 248: angle ( -0.993, 1.847, -1.929) ( -0.992, 1.847, -1.929) ( 0.07, 0.01, 0.01) 248: strbnd ( -0.720, -1.271, 0.377) ( -0.720, -1.271, 0.377) ( 0.00, 0.00, 0.00) 248: torsion ( 0.101, 0.125, -0.120) ( 0.101, 0.125, -0.120) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.469, -0.945, 2.055) ( 1.469, -0.944, 2.055) ( 0.01, 0.01, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 56 ( -0.037, -0.300, -0.241) ( -0.036, -0.299, -0.238) ( 0.00, 0.04, 0.06) 248: bond ( 0.176, 1.777, -3.219) ( 0.177, 1.777, -3.216) ( 0.00, 0.04, 0.08) 248: angle ( -1.373, -1.962, -1.160) ( -1.373, -1.962, -1.159) ( 0.05, 0.02, 0.01) 248: strbnd ( -0.304, 0.067, 1.171) ( -0.304, 0.067, 1.171) ( 0.00, 0.00, 0.00) 248: torsion ( -1.378, 0.531, 0.218) ( -1.378, 0.532, 0.218) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.841, -0.714, 2.749) ( 2.842, -0.714, 2.749) ( 0.01, 0.00, 0.00) 249: vdw ( 10.884, -3.197, -1.897) ( 10.884, -3.196, -1.897) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 18 ( -0.052, 0.010, 0.016) ( -0.046, 0.015, 0.022) ( 0.03, 0.01, 0.01) 249: bond ( -8.989, -3.786, -7.821) ( -8.985, -3.782, -7.817) ( 0.04, 0.10, 0.05) 249: angle ( -7.201, -4.293, -6.623) ( -7.199, -4.291, -6.620) ( 0.03, 0.05, 0.03) 249: strbnd ( 0.874, 0.570, 0.666) ( 0.873, 0.569, 0.665) ( 0.06, 0.05, 0.05) 249: torsion ( 3.308, 1.707, 2.879) ( 3.308, 1.708, 2.879) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 11.956, 5.812, 10.915) ( 11.956, 5.812, 10.915) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 19 ( -0.010, -0.054, -0.000) ( -0.010, -0.051, 0.000) ( 0.00, 0.02, 0.00) 249: bond ( 0.153, 1.775, -0.001) ( 0.153, 1.779, -0.001) ( 0.00, 0.19, 0.00) 249: angle ( 0.670, -0.060, -4.842) ( 0.670, -0.060, -4.841) ( 0.03, 0.00, 0.01) 249: strbnd ( 0.815, 0.040, -1.119) ( 0.815, 0.040, -1.119) ( 0.00, 0.00, 0.00) 249: torsion ( -0.405, 0.035, 0.864) ( -0.405, 0.035, 0.864) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -1.243, -1.845, 5.098) ( -1.243, -1.845, 5.098) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 20 ( -0.030, 0.008, -0.000) ( -0.027, 0.009, 0.001) ( 0.01, 0.00, 0.00) 249: bond ( 1.090, -0.510, -0.354) ( 1.093, -0.510, -0.354) ( 0.24, 0.03, 0.01) 249: angle ( -1.149, 1.385, -5.542) ( -1.148, 1.385, -5.542) ( 0.01, 0.03, 0.01) 249: strbnd ( 0.136, 1.058, -0.892) ( 0.136, 1.058, -0.892) ( 0.00, 0.00, 0.00) 249: torsion ( -0.156, -0.327, -0.012) ( -0.156, -0.327, -0.012) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.048, -1.599, 6.800) ( 0.048, -1.599, 6.800) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 21 ( 0.026, -0.047, 0.017) ( 0.027, -0.045, 0.018) ( 0.00, 0.01, 0.00) 249: bond ( -1.201, 2.098, -1.005) ( -1.200, 2.100, -1.004) ( 0.06, 0.10, 0.05) 249: angle ( 1.262, -0.296, -2.127) ( 1.262, -0.296, -2.126) ( 0.04, 0.01, 0.02) 249: strbnd ( 0.580, -0.948, -0.176) ( 0.580, -0.948, -0.176) ( 0.00, 0.00, 0.00) 249: torsion ( -0.425, -0.185, 0.120) ( -0.425, -0.185, 0.120) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( -0.190, -0.716, 3.204) ( -0.190, -0.716, 3.204) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 22 ( -0.010, 0.005, 0.009) ( -0.009, 0.007, 0.011) ( 0.00, 0.00, 0.00) 249: bond ( 1.021, -1.244, -1.972) ( 1.022, -1.244, -1.970) ( 0.05, 0.07, 0.10) 249: angle ( 0.097, 2.258, -1.376) ( 0.097, 2.259, -1.375) ( 0.00, 0.02, 0.01) 249: strbnd ( -0.623, 0.860, 0.374) ( -0.623, 0.860, 0.374) ( 0.00, 0.00, 0.00) 249: torsion ( -0.785, -0.995, 0.221) ( -0.785, -0.995, 0.221) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.280, -0.873, 2.761) ( 0.280, -0.873, 2.761) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 23 ( -0.000, -0.002, -0.005) ( 0.003, -0.001, -0.004) ( 0.00, 0.00, 0.00) 249: bond ( -2.170, 0.852, 0.493) ( -2.167, 0.853, 0.494) ( 0.13, 0.04, 0.01) 250: torsion ( -0.004, 0.151, -0.129) ( -0.004, 0.151, -0.128) ( 0.00, 0.00, 0.02) 250: oop ( -0.010, 0.040, -0.102) ( -0.008, 0.034, -0.087) ( 0.00, 0.03, 0.16) 250: vdw ( -7.809, -11.860, -3.494) ( -7.809, -11.860, -3.494) ( 0.00, 0.00, 0.00) 250: electro ( -0.323, -0.125, -0.217) ( -0.323, -0.125, -0.217) ( 0.00, 0.00, 0.00) 250: 7 ( -0.910, -7.772, 3.404) ( -0.861, -7.502, 3.120) ( 4.50, 3.48, 8.32) 250: bond ( -8.014, 7.203, 10.301) ( -8.008, 7.206, 10.304) ( 0.07, 0.04, 0.04) 250: angle ( 23.571, -6.002, -12.520) ( 23.573, -6.000, -12.519) ( 0.01, 0.02, 0.01) 250: strbnd ( -5.963, 1.001, 0.741) ( -5.964, 1.001, 0.741) ( 0.01, 0.02, 0.02) 250: torsion ( -2.513, -12.758, 5.361) ( -2.513, -12.757, 5.361) ( 0.00, 0.00, 0.01) 250: oop ( -0.329, -1.737, 1.929) ( -0.287, -1.471, 1.641) ( 1.39, 15.28, 14.93) 250: vdw ( -1.708, 5.497, -2.750) ( -1.708, 5.497, -2.750) ( 0.01, 0.00, 0.00) 250: electro ( -5.954, -0.978, 0.342) ( -5.954, -0.978, 0.342) ( 0.00, 0.00, 0.00) 250: 8 ( -2.017, 6.847, 8.194) ( -2.033, 7.367, 8.078) ( 0.77, 7.59, 1.41) 250: bond ( 7.906, 3.155, 6.283) ( 7.911, 3.158, 6.291) ( 0.07, 0.08, 0.13) 250: angle (-11.927, 11.968, 23.696) (-11.925, 11.969, 23.697) ( 0.02, 0.01, 0.01) 250: strbnd ( -0.172, -3.227, -7.634) ( -0.173, -3.227, -7.635) ( 0.02, 0.01, 0.01) 250: torsion ( -1.720, 6.773, -17.821) ( -1.720, 6.773, -17.821) ( 0.00, 0.01, 0.00) 250: oop ( 0.204, -2.932, 0.925) ( 0.181, -2.416, 0.801) ( 0.45, 17.59, 11.54) 250: vdw ( 4.239, -5.387, 2.000) ( 4.239, -5.387, 2.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.546, -3.502, 0.745) ( -0.546, -3.502, 0.745) ( 0.00, 0.00, 0.00) 250: 9 ( 2.585, -3.819, -7.637) ( 2.601, -4.100, -7.475) ( 0.65, 7.38, 2.13) 250: bond ( 6.677, -9.432, -17.814) ( 6.678, -9.430, -17.808) ( 0.01, 0.02, 0.03) 250: angle ( -3.223, -0.345, -1.026) ( -3.222, -0.345, -1.026) ( 0.03, 0.00, 0.01) 250: strbnd ( -3.032, 4.056, 7.810) ( -3.032, 4.056, 7.810) ( 0.01, 0.00, 0.00) 250: torsion ( -0.307, 6.030, -3.308) ( -0.307, 6.030, -3.308) ( 0.00, 0.00, 0.00) 250: oop ( -0.071, 1.455, -0.797) ( -0.056, 1.171, -0.641) ( 0.11, 19.52, 12.44) 250: vdw ( 7.280, -5.048, 11.866) ( 7.280, -5.048, 11.866) ( 0.00, 0.00, 0.00) 250: electro ( -4.739, -0.534, -4.368) ( -4.739, -0.534, -4.368) ( 0.00, 0.00, 0.00) 250: 10 ( 1.000, -0.547, -0.386) ( 0.966, -0.774, -0.726) ( 3.43, 12.41, 13.13) 250: bond ( 9.695, 23.920, -3.884) ( 9.701, 23.924, -3.884) ( 0.06, 0.02, 0.01) 250: angle (-15.143, -13.685, -10.389) (-15.141, -13.683, -10.388) ( 0.01, 0.01, 0.01) 250: strbnd ( 1.542, -11.914, 0.169) ( 1.542, -11.915, 0.169) ( 0.03, 0.01, 0.00) 250: torsion ( 1.960, -0.605, 10.880) ( 1.960, -0.605, 10.881) ( 0.00, 0.01, 0.01) 250: oop ( 0.202, 1.528, 1.715) ( 0.161, 1.295, 1.373) ( 0.83, 15.24, 19.96) 250: vdw ( 3.415, 0.682, 1.760) ( 3.415, 0.682, 1.760) ( 0.00, 0.01, 0.00) 250: electro ( -0.671, -0.472, -0.637) ( -0.671, -0.472, -0.637) ( 0.00, 0.00, 0.00) 250: 11 ( -0.171, -0.241, -0.542) ( -0.163, -0.080, 0.005) ( 0.12, 3.88, 29.65) 250: bond (-13.094, -5.115, -0.788) (-13.089, -5.111, -0.787) ( 0.04, 0.09, 0.05) 250: angle ( -2.503, 4.242, 11.159) ( -2.501, 4.244, 11.160) ( 0.09, 0.05, 0.00) 250: strbnd ( 10.155, 7.918, -0.812) ( 10.154, 7.917, -0.812) ( 0.01, 0.01, 0.01) 250: torsion ( 1.046, -1.903, -2.449) ( 1.046, -1.903, -2.448) ( 0.00, 0.00, 0.02) 250: oop ( -0.039, -0.779, -2.945) ( -0.038, -0.624, -2.400) ( 0.00, 12.08, 18.52) 250: vdw ( -0.018, -4.278, -1.767) ( -0.018, -4.278, -1.767) ( 0.00, 0.00, 0.00) 250: electro ( 4.282, -0.325, -2.941) ( 4.282, -0.325, -2.941) ( 0.00, 0.00, 0.00) 250: 12 ( 0.049, -0.113, -0.121) ( 0.055, -0.145, -0.246) ( 0.03, 0.36, 1.51) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 57 ( 0.041, 0.148, -0.296) ( 0.041, 0.150, -0.294) ( 0.00, 0.03, 0.06) 248: bond ( -0.135, 2.007, 2.146) ( -0.135, 2.009, 2.147) ( 0.00, 0.08, 0.08) 248: angle ( 0.451, -0.692, 0.675) ( 0.452, -0.692, 0.675) ( 0.03, 0.02, 0.02) 248: strbnd ( -0.177, -0.030, -0.939) ( -0.177, -0.030, -0.939) ( 0.00, 0.00, 0.00) 248: torsion ( -1.075, -0.300, 0.213) ( -1.075, -0.300, 0.213) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.976, -0.838, -2.392) ( 0.976, -0.838, -2.392) ( 0.02, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 58 ( -0.254, 0.017, -0.064) ( -0.254, 0.019, -0.062) ( 0.02, 0.00, 0.02) 248: bond ( -0.040, -1.500, 1.928) ( -0.040, -1.499, 1.930) ( 0.00, 0.08, 0.11) 248: angle ( -1.136, 1.312, 0.995) ( -1.135, 1.312, 0.995) ( 0.05, 0.03, 0.02) 248: strbnd ( 0.280, -0.457, -0.574) ( 0.280, -0.457, -0.574) ( 0.00, 0.00, 0.00) 248: torsion ( 0.158, 0.214, 0.170) ( 0.158, 0.214, 0.170) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.484, 0.449, -2.583) ( 0.484, 0.449, -2.583) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 59 ( -0.039, 0.371, 0.524) ( -0.039, 0.373, 0.526) ( 0.00, 0.07, 0.11) 248: bond ( 0.250, 2.246, -2.453) ( 0.250, 2.247, -2.451) ( 0.00, 0.07, 0.07) 248: angle ( -0.227, 0.092, 0.062) ( -0.226, 0.092, 0.062) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.193, -0.135, 1.231) ( -0.193, -0.135, 1.231) ( 0.00, 0.00, 0.00) 248: torsion ( 0.564, 2.085, 1.969) ( 0.564, 2.085, 1.969) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.433, -3.917, -0.285) ( -0.433, -3.917, -0.285) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 60 ( -0.063, -0.072, 0.504) ( -0.062, -0.071, 0.506) ( 0.01, 0.01, 0.13) 248: bond ( 0.260, 1.745, 3.031) ( 0.260, 1.746, 3.033) ( 0.00, 0.05, 0.08) 248: angle ( 3.751, -1.603, 0.601) ( 3.752, -1.603, 0.601) ( 0.02, 0.02, 0.01) 248: strbnd ( -0.199, -0.015, -1.540) ( -0.199, -0.015, -1.540) ( 0.00, 0.00, 0.00) 248: torsion ( -1.382, 1.853, -0.948) ( -1.382, 1.853, -0.948) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.493, -2.052, -0.640) ( -2.493, -2.052, -0.640) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 61 ( -0.281, 0.189, -0.034) ( -0.280, 0.192, -0.033) ( 0.02, 0.06, 0.00) 248: bond ( 0.133, -2.004, 0.580) ( 0.133, -2.001, 0.581) ( 0.00, 0.15, 0.02) 248: angle ( 0.076, -0.444, -1.547) ( 0.077, -0.444, -1.546) ( 0.00, 0.00, 0.04) 248: strbnd ( -0.121, -0.013, 0.295) ( -0.121, -0.013, 0.295) ( 0.00, 0.00, 0.00) 248: torsion ( 0.940, 0.033, -0.103) ( 0.940, 0.033, -0.103) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.309, 2.616, 0.740) ( -1.309, 2.616, 0.740) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 62 ( -0.037, 0.359, 0.037) ( -0.037, 0.362, 0.038) ( 0.00, 0.10, 0.00) 248: bond ( -0.580, 1.889, -0.905) ( -0.580, 1.891, -0.905) ( 0.01, 0.13, 0.05) 248: angle ( -0.273, 0.763, 1.769) ( -0.273, 0.763, 1.769) ( 0.01, 0.01, 0.02) 248: strbnd ( -0.325, 0.488, 0.279) ( -0.325, 0.488, 0.279) ( 0.00, 0.00, 0.00) 248: torsion ( 1.294, 0.792, 0.827) ( 1.294, 0.792, 0.827) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.153, -3.573, -1.933) ( -0.153, -3.573, -1.933) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 63 ( -0.297, 0.195, 0.097) ( -0.296, 0.196, 0.100) ( 0.03, 0.01, 0.03) 248: bond ( 0.610, 0.315, 1.633) ( 0.610, 0.315, 1.636) ( 0.02, 0.00, 0.18) 248: angle ( -1.418, 1.386, 0.261) ( -1.418, 1.387, 0.261) ( 0.03, 0.03, 0.00) 248: strbnd ( -0.282, 0.382, 0.365) ( -0.282, 0.382, 0.365) ( 0.00, 0.00, 0.00) 248: torsion ( 0.426, 0.990, -0.350) ( 0.426, 0.990, -0.350) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.367, -2.878, -1.812) ( 0.367, -2.878, -1.812) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 64 ( 5.704, -0.249, 0.138) ( 5.704, -0.244, 0.139) ( 0.00, 0.13, 0.01) 248: bond ( 0.052, 0.524, -0.141) ( 0.052, 0.529, -0.141) ( 0.00, 0.27, 0.01) 248: angle ( 0.150, -0.836, -3.088) ( 0.150, -0.836, -3.088) ( 0.00, 0.00, 0.02) 248: strbnd ( -0.049, -0.575, 0.050) ( -0.049, -0.575, 0.050) ( 0.00, 0.00, 0.00) 248: torsion ( 0.430, -0.034, 0.030) ( 0.430, -0.034, 0.030) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.052, 1.173, 1.899) ( 0.052, 1.173, 1.900) ( 0.00, 0.00, 0.00) 248: electro ( 5.069, -0.500, 1.387) ( 5.069, -0.500, 1.387) ( 0.00, 0.00, 0.00) 248: 65 ( -0.114, 0.570, -0.149) ( -0.109, 0.571, -0.148) ( 0.06, 0.02, 0.01) 248: bond (-17.085, -2.760, 0.383) (-17.080, -2.760, 0.384) ( 0.03, 0.01, 0.00) 248: angle ( 0.082, -0.169, 2.424) ( 0.082, -0.169, 2.425) ( 0.00, 0.00, 0.02) 248: strbnd ( 0.390, 0.135, -0.958) ( 0.390, 0.135, -0.958) ( 0.00, 0.00, 0.00) 248: torsion ( -0.084, 0.524, 0.039) ( -0.084, 0.524, 0.039) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.216, 1.133, 7.265) ( -1.216, 1.133, 7.265) ( 0.00, 0.00, 0.00) 248: electro ( 17.799, 1.709, -9.304) ( 17.799, 1.709, -9.304) ( 0.00, 0.00, 0.00) 248: ok 14 # gradients 248: ok 15 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 249: angle ( -2.709, -4.551, -4.037) ( -2.709, -4.550, -4.036) ( 0.00, 0.01, 0.01) 249: strbnd ( 0.176, -2.037, 0.838) ( 0.176, -2.037, 0.838) ( 0.00, 0.00, 0.00) 249: torsion ( 0.238, 0.878, -0.470) ( 0.238, 0.878, -0.470) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 4.466, 4.856, 3.170) ( 4.466, 4.856, 3.170) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 24 ( -0.002, 0.009, -0.015) ( -0.001, 0.010, -0.012) ( 0.00, 0.00, 0.00) 249: bond ( 0.707, 0.613, -2.070) ( 0.707, 0.614, -2.067) ( 0.02, 0.02, 0.14) 249: angle ( -4.504, -2.559, -2.301) ( -4.503, -2.559, -2.301) ( 0.01, 0.02, 0.01) 249: strbnd ( 0.695, -2.064, 0.376) ( 0.695, -2.064, 0.376) ( 0.00, 0.00, 0.00) 249: torsion ( -0.221, -0.053, -0.091) ( -0.221, -0.053, -0.091) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 3.321, 4.072, 4.071) ( 3.321, 4.072, 4.071) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 25 ( -0.009, -0.007, -0.002) ( -0.007, -0.005, -0.001) ( 0.00, 0.00, 0.00) 249: bond ( -1.648, -1.647, 1.112) ( -1.647, -1.646, 1.112) ( 0.08, 0.08, 0.06) 249: angle ( 1.712, -2.113, -0.592) ( 1.713, -2.113, -0.591) ( 0.02, 0.01, 0.03) 249: strbnd ( 0.745, 0.180, -0.903) ( 0.745, 0.180, -0.903) ( 0.00, 0.00, 0.00) 249: torsion ( -1.112, 0.821, -0.431) ( -1.112, 0.821, -0.431) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.294, 2.752, 0.812) ( 0.294, 2.752, 0.812) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 26 ( -0.008, 0.000, 0.010) ( -0.007, 0.001, 0.012) ( 0.00, 0.00, 0.00) 249: bond ( 1.332, -1.438, -1.930) ( 1.333, -1.438, -1.928) ( 0.06, 0.06, 0.09) 249: angle ( -0.781, -2.060, 0.995) ( -0.781, -2.059, 0.995) ( 0.03, 0.02, 0.03) 249: strbnd ( -0.923, 0.023, 0.780) ( -0.923, 0.023, 0.780) ( 0.00, 0.00, 0.00) 249: torsion ( -0.202, 0.234, -0.314) ( -0.202, 0.234, -0.314) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.566, 3.241, 0.479) ( 0.566, 3.241, 0.479) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 27 ( 0.005, -0.016, 0.014) ( 0.006, -0.015, 0.017) ( 0.00, 0.00, 0.00) 249: bond ( -0.381, -0.596, 1.972) ( -0.381, -0.596, 1.975) ( 0.00, 0.02, 0.15) 249: angle ( -5.129, 2.087, -0.360) ( -5.128, 2.087, -0.360) ( 0.01, 0.02, 0.00) 249: strbnd ( -1.239, 1.214, 0.126) ( -1.239, 1.214, 0.126) ( 0.00, 0.00, 0.00) 249: torsion ( 0.569, -0.651, -0.087) ( 0.569, -0.651, -0.087) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 6.185, -2.069, -1.637) ( 6.186, -2.069, -1.637) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 28 ( 0.001, -0.026, -0.001) ( 0.001, -0.023, 0.000) ( 0.00, 0.01, 0.00) 249: bond ( 0.029, 2.103, -0.090) ( 0.029, 2.106, -0.090) ( 0.00, 0.16, 0.00) 249: angle ( -3.823, 0.096, 0.999) ( -3.823, 0.096, 0.999) ( 0.02, 0.00, 0.05) 249: strbnd ( -1.408, 0.111, 1.022) ( -1.408, 0.111, 1.022) ( 0.00, 0.00, 0.00) 249: torsion ( 0.186, -0.014, -0.265) ( 0.186, -0.014, -0.265) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 5.016, -2.322, -1.666) ( 5.016, -2.322, -1.666) ( 0.00, 0.00, 0.00) 250: bond ( -6.964, 10.847, -2.041) ( -6.957, 10.853, -2.041) ( 0.09, 0.05, 0.02) 250: angle ( 3.466, -18.735, 1.444) ( 3.468, -18.732, 1.444) ( 0.06, 0.01, 0.03) 250: strbnd ( 5.241, 10.045, -1.635) ( 5.240, 10.043, -1.635) ( 0.02, 0.01, 0.00) 250: torsion ( -0.277, -0.199, 0.243) ( -0.277, -0.199, 0.244) ( 0.00, 0.00, 0.02) 250: oop ( -0.002, 0.243, 0.879) ( -0.003, 0.205, 0.753) ( 0.00, 0.94, 11.08) 250: vdw ( -1.680, -2.461, 0.754) ( -1.680, -2.461, 0.754) ( 0.00, 0.00, 0.00) 250: electro ( 0.266, 0.147, 0.236) ( 0.266, 0.147, 0.236) ( 0.00, 0.00, 0.00) 250: 13 ( -1.916, 4.711, -0.986) ( -1.911, 4.727, -0.929) ( 0.21, 0.35, 5.65) 250: bond ( -0.615, 7.046, -1.142) ( -0.607, 7.052, -1.141) ( 0.46, 0.08, 0.02) 250: angle ( 9.671, -9.830, 1.897) ( 9.673, -9.828, 1.897) ( 0.02, 0.02, 0.00) 250: strbnd ( 1.450, -2.787, 0.428) ( 1.450, -2.788, 0.428) ( 0.05, 0.05, 0.00) 250: torsion ( -0.027, 0.521, -1.869) ( -0.027, 0.521, -1.868) ( 0.00, 0.00, 0.05) 250: oop ( 0.024, -0.050, -0.214) ( 0.019, -0.041, -0.158) ( 0.01, 0.05, 1.20) 250: vdw (-11.109, 9.890, 1.556) (-11.109, 9.890, 1.556) ( 0.00, 0.00, 0.00) 250: electro ( -1.309, -0.078, -1.642) ( -1.309, -0.078, -1.642) ( 0.00, 0.00, 0.00) 250: 14 ( 6.713, -5.411, 0.328) ( 6.722, -5.394, 0.357) ( 0.13, 0.31, 0.96) 250: bond (-12.462, -21.961, 0.624) (-12.457, -21.955, 0.624) ( 0.04, 0.02, 0.01) 250: angle ( 21.478, 16.756, -1.059) ( 21.481, 16.758, -1.059) ( 0.01, 0.01, 0.00) 250: strbnd ( -5.263, -1.582, -0.270) ( -5.263, -1.582, -0.270) ( 0.01, 0.03, 0.00) 250: torsion ( -0.035, -0.626, 1.222) ( -0.035, -0.626, 1.223) ( 0.00, 0.00, 0.11) 250: oop ( 0.004, -0.049, -0.081) ( 0.005, -0.039, -0.053) ( 0.00, 0.05, 0.23) 250: vdw ( 2.604, 2.443, 0.387) ( 2.604, 2.443, 0.387) ( 0.00, 0.00, 0.00) 250: electro ( 0.386, -0.392, -0.495) ( 0.386, -0.392, -0.495) ( 0.00, 0.00, 0.00) 250: 15 ( -5.129, 0.613, -0.625) ( -5.079, 0.616, -0.328) ( 0.97, 0.16, 18.57) 250: bond ( 11.061, 5.919, -3.067) ( 11.066, 5.923, -3.067) ( 0.04, 0.08, 0.01) 250: angle (-12.299, -15.141, -0.481) (-12.297, -15.140, -0.481) ( 0.02, 0.01, 0.00) 250: strbnd ( -3.290, 0.620, 0.718) ( -3.290, 0.620, 0.718) ( 0.00, 0.01, 0.00) 250: torsion ( -0.712, -0.073, 3.004) ( -0.712, -0.073, 3.005) ( 0.00, 0.00, 0.05) 250: oop ( -0.261, 0.034, -1.913) ( -0.218, 0.030, -1.617) ( 1.11, 0.01, 15.44) 250: vdw ( 0.370, 9.262, 0.830) ( 0.370, 9.262, 0.830) ( 0.00, 0.00, 0.00) 250: electro ( 0.002, -0.007, 0.283) ( 0.002, -0.007, 0.283) ( 0.00, 0.00, 0.00) 250: 16 ( -0.296, 0.185, 0.933) ( -0.303, 0.195, 0.800) ( 0.21, 0.19, 12.45) 250: bond ( 14.452, -16.403, -3.890) ( 14.458, -16.398, -3.890) ( 0.04, 0.03, 0.01) 250: angle (-10.953, 5.321, 1.176) (-10.951, 5.322, 1.176) ( 0.02, 0.03, 0.00) 250: strbnd ( 6.693, 8.480, -0.639) ( 6.693, 8.479, -0.639) ( 0.00, 0.00, 0.00) 250: torsion ( 0.233, -0.130, 1.677) ( 0.233, -0.130, 1.679) ( 0.00, 0.00, 0.08) 250: oop ( 0.089, -0.027, 0.816) ( 0.074, -0.024, 0.681) ( 0.13, 0.01, 11.01) 250: vdw (-10.495, 2.954, 2.887) (-10.495, 2.954, 2.887) ( 0.00, 0.01, 0.00) 250: electro ( -0.314, -0.010, -1.094) ( -0.314, -0.010, -1.094) ( 0.00, 0.00, 0.00) 250: 17 ( -0.587, 0.280, 1.052) ( -0.579, 0.286, 1.057) ( 0.46, 0.17, 0.47) 250: bond ( 11.943, 13.623, 0.244) ( 11.949, 13.628, 0.244) ( 0.05, 0.04, 0.01) 250: angle ( 1.276, -3.469, -0.726) ( 1.277, -3.467, -0.726) ( 0.13, 0.05, 0.00) 250: strbnd ( 0.726, -3.329, -0.300) ( 0.726, -3.330, -0.300) ( 0.01, 0.01, 0.00) 250: torsion ( 0.227, -0.156, 1.421) ( 0.227, -0.156, 1.422) ( 0.00, 0.00, 0.09) 250: oop ( -0.004, 0.002, -0.021) ( -0.003, 0.002, -0.018) ( 0.00, 0.00, 0.01) 16: OK 16: Testing gen3D(3): [C@H]([C@H](C(=O)O)O)(C(=O)O)O 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 29 ( -0.010, 0.009, 0.006) ( -0.009, 0.011, 0.007) ( 0.00, 0.00, 0.00) 249: bond ( -1.360, 1.906, -0.984) ( -1.359, 1.908, -0.983) ( 0.07, 0.10, 0.05) 249: angle ( -1.796, -0.247, 2.003) ( -1.796, -0.247, 2.004) ( 0.02, 0.01, 0.02) 249: strbnd ( 0.022, -0.940, 0.574) ( 0.022, -0.940, 0.574) ( 0.00, 0.00, 0.00) 249: torsion ( 0.230, -0.392, -1.079) ( 0.230, -0.392, -1.079) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 2.893, -0.319, -0.508) ( 2.893, -0.319, -0.508) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 30 ( -0.034, -0.020, 0.025) ( -0.032, -0.019, 0.027) ( 0.01, 0.00, 0.00) 249: bond ( -1.739, -1.521, 1.401) ( -1.737, -1.520, 1.402) ( 0.08, 0.07, 0.07) 249: angle ( -1.608, 1.824, -0.015) ( -1.608, 1.824, -0.015) ( 0.02, 0.02, 0.00) 249: strbnd ( 0.184, 0.874, -0.682) ( 0.184, 0.874, -0.682) ( 0.00, 0.00, 0.00) 249: torsion ( 0.081, -0.467, -0.406) ( 0.081, -0.467, -0.406) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 3.048, -0.731, -0.273) ( 3.048, -0.731, -0.273) ( 0.00, 0.00, 0.00) 249: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: 31 ( 0.009, -0.001, 0.008) ( 0.010, 0.000, 0.009) ( 0.00, 0.00, 0.00) 249: bond ( -0.898, -0.437, -0.824) ( -0.896, -0.436, -0.823) ( 0.15, 0.02, 0.11) 249: angle ( 0.051, 0.059, -0.088) ( 0.051, 0.060, -0.088) ( 0.00, 0.00, 0.00) 249: strbnd ( -0.056, 0.008, -0.026) ( -0.056, 0.008, -0.026) ( 0.00, 0.00, 0.00) 249: torsion ( -0.032, -0.088, 0.081) ( -0.032, -0.087, 0.081) ( 0.00, 0.00, 0.00) 249: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: vdw ( 0.943, 0.456, 0.865) ( 0.943, 0.456, 0.865) ( 0.00, 0.00, 0.00) 249: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 249: ok 14 # gradients 249: ok 15 # energy 249: ---------------------------------------------------------------------------------------- 249: 249: VALIDATE GRADIENTS : vuwxug.xyz 249: 249: 249: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 249: ---------------------------------------------------------------------------------------- 248: 1 ( -1.689, 29.086, 12.210) ( -1.711, 29.002, 12.363) ( 1.27, 0.29, 1.25) 248: bond (-17.707, 8.335, 2.191) (-17.700, 8.340, 2.193) ( 0.04, 0.06, 0.09) 248: angle ( 17.323, 25.618, 18.944) ( 17.325, 25.620, 18.945) ( 0.01, 0.01, 0.00) 248: strbnd ( -1.493, -7.945, -5.133) ( -1.494, -7.946, -5.134) ( 0.06, 0.01, 0.00) 248: torsion ( 0.601, 2.014, -3.362) ( 0.601, 2.014, -3.362) ( 0.00, 0.01, 0.02) 248: oop ( 0.117, 0.376, -0.635) ( 0.088, 0.286, -0.485) ( 0.35, 3.38, 9.52) 248: vdw ( -0.601, -0.190, -0.199) ( -0.601, -0.190, -0.199) ( 0.00, 0.00, 0.00) 248: electro ( 0.071, 0.878, 0.403) ( 0.071, 0.878, 0.403) ( 0.00, 0.00, 0.00) 248: 2 (-43.130, -3.367, -5.439) (-43.097, -3.287, -5.559) ( 0.08, 2.36, 2.20) 248: bond (-26.717, -2.707, -7.585) (-26.711, -2.702, -7.583) ( 0.02, 0.19, 0.02) 248: angle (-14.462, -4.144, -5.035) (-14.460, -4.143, -5.035) ( 0.01, 0.04, 0.01) 248: strbnd ( 0.308, 7.811, 4.693) ( 0.308, 7.811, 4.693) ( 0.01, 0.01, 0.01) 248: torsion ( -0.735, -2.026, 3.413) ( -0.735, -2.026, 3.414) ( 0.00, 0.02, 0.03) 248: oop ( -0.154, -0.448, 0.744) ( -0.128, -0.375, 0.621) ( 0.40, 3.28, 9.11) 248: vdw ( -1.663, -1.307, -1.215) ( -1.663, -1.307, -1.215) ( 0.00, 0.00, 0.00) 248: electro ( 0.292, -0.546, -0.454) ( 0.292, -0.546, -0.454) ( 0.00, 0.00, 0.00) 248: 3 ( 26.796, 24.803, 13.755) ( 26.767, 24.702, 13.933) ( 0.11, 0.40, 1.30) 248: bond ( 32.244, 7.181, 11.384) ( 32.249, 7.186, 11.386) ( 0.02, 0.06, 0.02) 248: angle ( -9.397, 6.895, 4.311) ( -9.395, 6.897, 4.311) ( 0.02, 0.02, 0.02) 248: strbnd ( 5.047, 6.760, 5.135) ( 5.046, 6.759, 5.135) ( 0.01, 0.01, 0.00) 248: torsion ( 1.173, 3.527, -5.707) ( 1.173, 3.527, -5.706) ( 0.00, 0.01, 0.01) 248: oop ( 0.194, 0.561, -0.910) ( 0.158, 0.454, -0.735) ( 0.69, 5.96, 15.93) 248: vdw ( -2.822, 0.795, 0.719) ( -2.822, 0.795, 0.719) ( 0.00, 0.00, 0.00) 248: electro ( 0.358, -0.916, -1.176) ( 0.358, -0.916, -1.176) ( 0.00, 0.00, 0.00) 248: 4 ( 30.208, 3.073, 6.213) ( 30.219, 3.104, 6.463) ( 0.04, 1.02, 4.03) 248: bond ( 44.923, 3.054, 10.850) ( 44.929, 3.058, 10.852) ( 0.01, 0.15, 0.02) 248: angle (-11.137, 3.853, 1.631) (-11.135, 3.855, 1.632) ( 0.02, 0.05, 0.04) 248: strbnd ( -0.803, -4.122, -2.305) ( -0.804, -4.123, -2.306) ( 0.08, 0.01, 0.01) 248: torsion ( -0.049, -0.229, -1.535) ( -0.049, -0.229, -1.535) ( 0.00, 0.01, 0.05) 248: oop ( -0.023, -0.118, -0.821) ( -0.020, -0.093, -0.574) ( 0.01, 0.29, 20.32) 248: vdw ( -2.511, 0.309, -1.489) ( -2.511, 0.309, -1.489) ( 0.00, 0.00, 0.00) 248: electro ( -0.191, 0.327, -0.117) ( -0.191, 0.327, -0.117) ( 0.00, 0.00, 0.00) 248: 5 ( -7.948, -76.115, -41.479) ( -7.959, -76.157, -41.393) ( 0.13, 0.05, 0.21) 248: bond ( 8.045, -42.089, -24.804) ( 8.052, -42.083, -24.802) ( 0.09, 0.01, 0.01) 248: angle (-16.828, -30.092, -21.409) (-16.826, -30.090, -21.409) ( 0.01, 0.01, 0.00) 248: strbnd ( 5.512, -1.560, 0.571) ( 5.511, -1.560, 0.570) ( 0.02, 0.01, 0.01) 248: torsion ( -1.167, -3.866, 6.122) ( -1.167, -3.866, 6.123) ( 0.00, 0.01, 0.01) 248: oop ( 0.067, 0.201, -0.328) ( 0.049, 0.152, -0.246) ( 0.12, 0.98, 2.70) 248: vdw ( -3.591, 1.489, -1.515) ( -3.591, 1.489, -1.515) ( 0.00, 0.00, 0.00) 248: electro ( 0.014, -0.198, -0.115) ( 0.014, -0.198, -0.115) ( 0.00, 0.00, 0.00) 248: 6 (-30.115, -5.188, 10.096) (-30.111, -5.194, 9.573) ( 0.01, 0.12, 5.18) 248: bond (-46.066, -5.896, 0.687) (-46.059, -5.889, 0.688) ( 0.01, 0.11, 0.01) 248: angle ( 11.582, -5.904, 1.352) ( 11.584, -5.902, 1.352) ( 0.02, 0.04, 0.01) 248: strbnd ( 1.321, 5.298, 0.111) ( 1.319, 5.297, 0.111) ( 0.08, 0.01, 0.00) 250: vdw (-14.498, -6.002, 0.935) (-14.498, -6.002, 0.935) ( 0.00, 0.00, 0.00) 250: electro ( -0.257, -0.389, -0.500) ( -0.257, -0.389, -0.500) ( 0.00, 0.00, 0.00) 250: 18 ( -0.846, -0.010, 0.550) ( -0.842, 0.000, 0.524) ( 0.36, 0.01, 1.42) 250: bond ( -3.720, 10.016, 1.464) ( -3.714, 10.021, 1.464) ( 0.15, 0.06, 0.01) 250: angle ( 3.372, 1.996, -0.096) ( 3.374, 1.998, -0.096) ( 0.05, 0.09, 0.00) 250: strbnd ( 1.201, -0.848, -0.145) ( 1.201, -0.848, -0.145) ( 0.02, 0.01, 0.00) 250: torsion ( 0.005, -0.001, 0.213) ( 0.005, -0.001, 0.214) ( 0.00, 0.00, 0.03) 250: oop ( 0.015, -0.016, 0.164) ( 0.013, -0.013, 0.137) ( 0.00, 0.00, 0.45) 250: vdw ( -1.486, -11.784, -0.891) ( -1.486, -11.784, -0.891) ( 0.00, 0.00, 0.00) 250: electro ( -0.234, 0.627, -0.159) ( -0.234, 0.627, -0.159) ( 0.00, 0.00, 0.00) 250: 19 ( -0.802, -0.231, -0.241) ( -0.792, -0.227, -0.209) ( 0.79, 0.10, 0.77) 250: bond ( -3.439, 12.608, 1.190) ( -3.434, 12.614, 1.190) ( 0.17, 0.04, 0.02) 250: angle ( -7.033, 2.531, 1.010) ( -7.031, 2.533, 1.010) ( 0.02, 0.06, 0.01) 250: strbnd ( -0.939, -6.205, -0.494) ( -0.939, -6.206, -0.494) ( 0.02, 0.00, 0.00) 250: torsion ( 0.083, -0.036, 0.405) ( 0.083, -0.036, 0.406) ( 0.00, 0.00, 0.05) 250: oop ( -0.015, 0.016, -0.180) ( -0.012, 0.013, -0.149) ( 0.00, 0.00, 0.55) 250: vdw ( 11.128, -8.501, -1.965) ( 11.128, -8.501, -1.965) ( 0.00, 0.00, 0.00) 250: electro ( -0.587, -0.644, -0.207) ( -0.587, -0.644, -0.207) ( 0.00, 0.00, 0.00) 250: 20 ( -0.443, -0.226, -0.393) ( -0.448, -0.219, -0.464) ( 0.20, 0.16, 2.79) 250: bond (-23.028, 1.536, 2.475) (-23.023, 1.541, 2.475) ( 0.02, 0.33, 0.01) 250: angle ( 15.846, -1.882, -2.254) ( 15.848, -1.881, -2.254) ( 0.01, 0.09, 0.00) 250: strbnd ( -4.096, 7.781, 0.817) ( -4.097, 7.781, 0.817) ( 0.00, 0.00, 0.00) 250: torsion ( 0.129, 0.136, 0.405) ( 0.129, 0.136, 0.407) ( 0.00, 0.00, 0.05) 250: oop ( 0.078, -0.007, 0.518) ( 0.066, -0.007, 0.445) ( 0.09, 0.00, 3.76) 250: vdw ( 11.264, -7.207, -2.094) ( 11.264, -7.207, -2.094) ( 0.00, 0.00, 0.00) 250: electro ( -0.635, -0.582, -0.260) ( -0.635, -0.582, -0.260) ( 0.00, 0.00, 0.00) 250: 21 ( 0.070, 0.058, 0.371) ( 0.080, -0.012, 0.135) ( 0.07, 0.40, 8.76) 250: bond ( 7.503, -21.569, 13.282) ( 7.507, -21.565, 13.286) ( 0.05, 0.02, 0.03) 250: angle ( -8.074, 14.944, -23.421) ( -8.072, 14.947, -23.419) ( 0.03, 0.01, 0.01) 250: strbnd ( 2.250, 2.780, 1.796) ( 2.249, 2.779, 1.795) ( 0.04, 0.04, 0.03) 250: torsion ( -0.293, 1.133, 8.011) ( -0.293, 1.133, 8.011) ( 0.00, 0.01, 0.00) 250: oop ( -0.019, 0.274, 0.893) ( -0.014, 0.200, 0.651) ( 0.01, 2.04, 21.55) 250: vdw ( -0.617, 2.348, -0.996) ( -0.617, 2.348, -0.996) ( 0.00, 0.00, 0.00) 250: electro ( -0.681, 0.147, 0.808) ( -0.681, 0.147, 0.808) ( 0.00, 0.00, 0.00) 250: 22 ( 0.335, -0.174, 0.517) ( 0.341, -0.168, 0.522) ( 0.18, 0.10, 0.29) 250: bond ( 10.845, -2.778, -8.094) ( 10.850, -2.774, -8.090) ( 0.04, 0.15, 0.05) 250: angle ( -9.008, -1.801, 6.507) ( -9.006, -1.799, 6.508) ( 0.02, 0.10, 0.03) 250: strbnd ( 0.507, -2.141, 2.316) ( 0.507, -2.141, 2.315) ( 0.04, 0.02, 0.03) 250: torsion ( 0.379, 2.149, -1.075) ( 0.379, 2.149, -1.075) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.389, 4.398, 0.864) ( -2.389, 4.398, 0.864) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( -0.056, -0.173, -0.298) ( -0.051, -0.167, -0.292) ( 0.03, 0.09, 0.18) 250: bond ( -9.863, -5.250, 2.250) ( -9.858, -5.246, 2.255) ( 0.04, 0.08, 0.21) 249: 1 ( 0.017, -0.032, -0.004) ( 0.360, 0.161, -0.046) ( 0.59, 0.62, 0.02) 249: bond ( 4.935, -9.109, -1.104) ( 4.935, -9.107, -1.104) ( 0.02, 0.03, 0.01) 249: angle ( -2.548, -2.956, 12.992) ( -2.548, -2.956, 12.993) ( 0.00, 0.00, 0.01) 249: strbnd ( 3.655, -7.443, 0.124) ( 3.655, -7.443, 0.124) ( 0.00, 0.00, 0.00) 249: torsion ( 4.665, 2.461, 0.552) ( 4.665, 2.461, 0.552) ( 0.00, 0.00, 0.00) 249: oop ( -2.201, -1.235, 0.352) ( -1.859, -1.045, 0.309) (15.54, 15.42, 1.50) 249: vdw ( -2.138, 3.876, -4.785) ( -2.138, 3.876, -4.785) ( 0.00, 0.00, 0.00) 249: electro ( -6.351, 14.374, -8.135) ( -6.351, 14.374, -8.135) ( 0.00, 0.00, 0.00) 249: 2 ( 0.013, -0.006, -0.016) ( 0.100, 0.046, 0.007) ( 0.12, 0.03, 0.04) 249: bond ( 6.117, -25.834, -17.177) ( 6.117, -25.831, -17.166) ( 0.01, 0.01, 0.06) 249: angle ( -9.069, 20.562, 11.811) ( -9.068, 20.564, 11.813) ( 0.00, 0.01, 0.02) 249: strbnd ( -0.570, 2.942, 11.231) ( -0.570, 2.942, 11.229) ( 0.00, 0.01, 0.02) 249: torsion ( 5.151, 1.716, -0.095) ( 5.151, 1.716, -0.095) ( 0.01, 0.00, 0.00) 249: oop ( -0.825, -0.292, -0.005) ( -0.739, -0.246, 0.007) ( 7.08, 1.34, 0.01) 249: vdw ( -0.760, 1.774, -1.397) ( -0.760, 1.774, -1.397) ( 0.00, 0.00, 0.00) 249: electro ( -0.031, -0.874, -4.384) ( -0.031, -0.874, -4.384) ( 0.00, 0.00, 0.00) 249: 3 ( -0.030, 0.042, -0.002) ( -1.051, -0.373, 0.176) ( 3.08, 1.73, 0.04) 249: bond ( -0.092, -4.505, 20.203) ( -0.091, -4.501, 20.209) ( 0.01, 0.11, 0.03) 249: angle ( 15.243, -23.754, -22.274) ( 15.243, -23.753, -22.272) ( 0.00, 0.01, 0.01) 249: strbnd ( -1.022, 1.368, 2.985) ( -1.022, 1.367, 2.985) ( 0.02, 0.04, 0.02) 249: torsion (-13.562, -4.422, 0.317) (-13.562, -4.422, 0.317) ( 0.00, 0.00, 0.00) 249: oop ( 7.262, 2.827, -1.384) ( 6.240, 2.406, -1.213) (14.07, 14.88, 12.33) 249: vdw ( -1.549, 6.037, 1.007) ( -1.549, 6.037, 1.007) ( 0.00, 0.00, 0.00) 249: electro ( -6.310, 22.492, -0.857) ( -6.310, 22.492, -0.857) ( 0.00, 0.00, 0.00) 249: 4 ( -0.008, 0.003, -0.019) ( 0.107, 0.035, -0.019) ( 0.09, 0.01, 0.00) 249: bond ( 0.074, -3.835, -13.494) ( 0.074, -3.834, -13.485) ( 0.00, 0.02, 0.06) 249: angle ( 0.976, -3.230, 0.924) ( 0.976, -3.229, 0.924) ( 0.00, 0.02, 0.01) 249: strbnd ( -0.552, 0.029, -7.860) ( -0.552, 0.029, -7.860) ( 0.00, 0.00, 0.00) 249: torsion ( -1.574, -0.412, 0.108) ( -1.574, -0.412, 0.108) ( 0.01, 0.00, 0.00) 249: oop ( -0.503, -0.135, 0.036) ( -0.388, -0.104, 0.028) ( 5.79, 0.41, 0.03) 249: vdw ( 0.515, 2.328, 5.755) ( 0.515, 2.328, 5.755) ( 0.00, 0.01, 0.00) 249: electro ( 1.057, 5.257, 14.512) ( 1.057, 5.257, 14.512) ( 0.00, 0.00, 0.00) 249: 5 ( 0.003, -0.006, 0.005) ( 0.404, 0.128, -0.118) ( 0.12, 0.08, 0.06) 249: bond ( 0.018, 0.073, 0.129) ( 0.018, 0.074, 0.133) ( 0.00, 0.01, 0.05) 249: angle ( -4.844, 9.643, -4.711) ( -4.844, 9.644, -4.711) ( 0.00, 0.01, 0.00) 249: strbnd ( -0.264, 0.055, 0.251) ( -0.264, 0.055, 0.251) ( 0.00, 0.00, 0.00) 249: torsion ( 4.454, 0.421, -0.829) ( 4.455, 0.421, -0.829) ( 0.00, 0.00, 0.00) 249: oop ( -3.071, -0.983, 0.957) ( -2.670, -0.852, 0.830) (13.05, 12.95, 12.12) 249: vdw ( -0.672, 1.547, -1.346) ( -0.672, 1.547, -1.346) ( 0.00, 0.00, 0.00) 249: electro ( 4.382, -10.762, 5.553) ( 4.382, -10.762, 5.553) ( 0.00, 0.00, 0.00) 249: 6 ( -0.018, -0.005, -0.006) ( -0.100, -0.046, -0.007) ( 0.15, 0.02, 0.00) 249: bond ( -6.118, 25.827, 17.156) ( -6.117, 25.831, 17.166) ( 0.01, 0.01, 0.06) 249: angle ( 9.068, -20.566, -11.815) ( 9.068, -20.564, -11.813) ( 0.00, 0.01, 0.02) 249: strbnd ( 0.570, -2.941, -11.227) ( 0.570, -2.942, -11.229) ( 0.00, 0.01, 0.02) 248: torsion ( 0.044, 1.140, 6.540) ( 0.044, 1.140, 6.541) ( 0.00, 0.01, 0.02) 248: oop ( -0.012, 0.131, 2.561) ( -0.015, 0.116, 2.037) ( 0.00, 0.19, 20.47) 248: vdw ( 2.802, 0.309, -0.945) ( 2.802, 0.309, -0.945) ( 0.00, 0.00, 0.00) 248: electro ( 0.213, -0.266, -0.210) ( 0.213, -0.266, -0.210) ( 0.00, 0.00, 0.00) 248: 7 ( 12.679, 86.994, -19.032) ( 12.700, 86.952, -19.301) ( 0.17, 0.05, 1.42) 248: bond ( -5.030, 48.598, -6.009) ( -5.023, 48.605, -6.009) ( 0.14, 0.01, 0.00) 248: angle ( 20.610, 38.351, -5.278) ( 20.612, 38.353, -5.277) ( 0.01, 0.01, 0.00) 248: strbnd ( -7.020, 1.621, -1.168) ( -7.021, 1.621, -1.168) ( 0.02, 0.02, 0.01) 248: torsion ( 0.098, -1.110, -6.501) ( 0.098, -1.110, -6.500) ( 0.00, 0.00, 0.01) 248: oop ( 0.002, 0.211, 1.179) ( 0.015, 0.160, 0.909) ( 0.00, 1.08, 22.95) 248: vdw ( 4.021, -0.905, -1.238) ( 4.021, -0.905, -1.238) ( 0.00, 0.00, 0.00) 248: electro ( -0.002, 0.227, -0.017) ( -0.002, 0.227, -0.017) ( 0.00, 0.00, 0.00) 248: 8 ( -0.374, -32.479, 6.496) ( -0.364, -32.472, 6.450) ( 0.39, 0.02, 0.71) 248: bond ( 17.320, -9.193, 0.193) ( 17.327, -9.187, 0.193) ( 0.04, 0.07, 0.00) 248: angle (-21.343, -31.556, 3.930) (-21.342, -31.553, 3.930) ( 0.01, 0.01, 0.00) 248: strbnd ( 3.117, 8.773, -0.540) ( 3.116, 8.771, -0.540) ( 0.03, 0.01, 0.00) 248: torsion ( 0.062, 0.254, 3.026) ( 0.062, 0.254, 3.027) ( 0.00, 0.00, 0.04) 248: oop ( -0.019, -0.027, -0.085) ( -0.016, -0.028, -0.132) ( 0.00, 0.00, 0.40) 248: vdw ( 0.599, 0.238, -0.003) ( 0.599, 0.238, -0.003) ( 0.00, 0.00, 0.00) 248: electro ( -0.111, -0.968, -0.025) ( -0.111, -0.968, -0.025) ( 0.00, 0.00, 0.00) 248: 9 ( 44.803, 3.914, 2.819) ( 44.806, 3.913, 2.731) ( 0.01, 0.03, 3.12) 248: bond ( 27.504, 4.642, -1.536) ( 27.511, 4.648, -1.536) ( 0.02, 0.14, 0.00) 248: angle ( 15.991, 5.308, -0.805) ( 15.993, 5.309, -0.804) ( 0.01, 0.04, 0.01) 248: strbnd ( -0.547, -8.870, 0.817) ( -0.547, -8.870, 0.817) ( 0.03, 0.01, 0.00) 248: torsion ( 0.167, 0.437, 4.249) ( 0.167, 0.437, 4.250) ( 0.00, 0.00, 0.03) 248: oop ( 0.027, 0.073, 0.647) ( 0.022, 0.064, 0.558) ( 0.01, 0.07, 5.77) 248: vdw ( 1.899, 1.622, -0.325) ( 1.899, 1.622, -0.325) ( 0.00, 0.00, 0.00) 248: electro ( -0.238, 0.703, -0.227) ( -0.238, 0.703, -0.227) ( 0.00, 0.00, 0.00) 248: 10 (-30.928, -25.769, -2.929) (-30.914, -25.703, -2.397) ( 0.04, 0.25, 18.16) 248: bond (-33.338, -10.219, 2.044) (-33.333, -10.213, 2.044) ( 0.02, 0.06, 0.00) 248: angle ( 5.728, -6.663, 4.844) ( 5.730, -6.662, 4.844) ( 0.04, 0.03, 0.01) 248: strbnd ( -5.454, -7.832, 0.921) ( -5.455, -7.833, 0.921) ( 0.01, 0.01, 0.00) 248: torsion ( -0.215, -0.970, -8.075) ( -0.215, -0.970, -8.074) ( 0.00, 0.00, 0.01) 248: oop ( -0.036, -0.302, -2.716) ( -0.029, -0.244, -2.185) ( 0.02, 1.75, 19.54) 248: vdw ( 2.593, -1.118, 0.786) ( 2.593, -1.118, 0.786) ( 0.00, 0.00, 0.00) 248: electro ( -0.206, 1.335, -0.734) ( -0.206, 1.335, -0.734) ( 0.00, 0.00, 0.00) 248: 11 (-26.673, -22.301, 4.179) (-26.670, -22.313, 4.011) ( 0.01, 0.05, 4.01) 248: bond ( -1.917, -0.727, -0.074) ( -1.913, -0.722, -0.070) ( 0.20, 0.32, 0.03) 248: angle (-29.136, -26.052, 2.735) (-29.134, -26.050, 2.736) ( 0.01, 0.01, 0.05) 248: strbnd ( 4.010, 7.688, -1.200) ( 4.009, 7.687, -1.200) ( 0.01, 0.02, 0.04) 248: torsion ( 0.015, 0.059, 0.642) ( 0.015, 0.059, 0.642) ( 0.00, 0.00, 0.01) 248: oop ( 0.009, 0.064, 0.656) ( 0.007, 0.046, 0.483) ( 0.00, 0.11, 11.35) 248: vdw ( 0.354, -2.969, 0.608) ( 0.354, -2.969, 0.608) ( 0.00, 0.00, 0.00) 248: electro ( -0.008, -0.365, 0.812) ( -0.008, -0.365, 0.812) ( 0.00, 0.00, 0.00) 248: 12 ( -2.353, 3.616, -2.204) ( -2.349, 3.623, -2.134) ( 0.16, 0.19, 3.21) 250: angle ( 12.507, 0.572, 0.600) ( 12.509, 0.573, 0.602) ( 0.02, 0.10, 0.10) 250: strbnd ( 0.608, -3.802, 1.723) ( 0.607, -3.803, 1.722) ( 0.05, 0.02, 0.03) 250: torsion ( -1.338, 1.223, -0.733) ( -1.338, 1.223, -0.733) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.970, 7.085, -4.139) ( -1.970, 7.085, -4.139) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( 0.006, -0.005, 0.058) ( 0.012, 0.000, 0.060) ( 0.00, 0.00, 0.02) 250: bond ( -0.866, -18.509, 3.882) ( -0.862, -18.505, 3.887) ( 0.40, 0.02, 0.12) 250: angle ( 5.959, 26.024, -8.109) ( 5.962, 26.026, -8.108) ( 0.04, 0.01, 0.02) 250: strbnd (-10.525, -2.634, 0.562) (-10.527, -2.635, 0.562) ( 0.02, 0.03, 0.02) 250: torsion ( -0.876, -1.089, 1.253) ( -0.876, -1.089, 1.253) ( 0.00, 0.00, 0.01) 250: oop ( -0.001, 0.002, 0.014) ( -0.000, 0.002, 0.010) ( 0.00, 0.00, 0.00) 250: vdw ( 2.349, -4.597, 0.926) ( 2.349, -4.597, 0.926) ( 0.01, 0.00, 0.00) 250: electro ( 3.966, 0.797, 1.529) ( 3.966, 0.797, 1.529) ( 0.00, 0.00, 0.00) 250: 25 ( -0.014, -0.101, -0.165) ( -0.009, -0.095, -0.159) ( 0.01, 0.06, 0.10) 250: bond ( -3.870, 12.275, -0.924) ( -3.866, 12.279, -0.920) ( 0.10, 0.03, 0.41) 250: angle ( -5.572, -18.333, 5.423) ( -5.570, -18.330, 5.425) ( 0.04, 0.01, 0.03) 250: strbnd ( -1.114, -2.631, -0.165) ( -1.115, -2.631, -0.166) ( 0.10, 0.02, 0.00) 250: torsion ( 3.318, -0.490, -3.647) ( 3.318, -0.490, -3.647) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.225, 9.078, -0.852) ( 7.225, 9.078, -0.852) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 ( -0.228, 0.018, 0.143) ( -0.223, 0.024, 0.149) ( 0.11, 0.01, 0.08) 250: bond ( 4.426, -15.861, -0.954) ( 4.429, -15.857, -0.949) ( 0.08, 0.03, 0.45) 250: angle ( -8.266, 12.873, -7.689) ( -8.264, 12.875, -7.687) ( 0.02, 0.02, 0.03) 250: strbnd ( 1.193, 5.294, 4.137) ( 1.192, 5.293, 4.136) ( 0.07, 0.01, 0.03) 250: torsion ( -0.164, -0.701, 3.652) ( -0.164, -0.701, 3.652) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.542, -1.377, 0.272) ( -0.542, -1.377, 0.272) ( 0.01, 0.00, 0.00) 250: electro ( 3.125, -0.209, 0.725) ( 3.125, -0.209, 0.725) ( 0.00, 0.00, 0.00) 250: 27 ( -0.131, 0.200, 0.315) ( -0.126, 0.205, 0.322) ( 0.06, 0.11, 0.19) 250: bond ( -1.243, 14.723, 1.076) ( -1.239, 14.727, 1.080) ( 0.30, 0.03, 0.41) 250: angle ( -2.830, -11.271, 1.923) ( -2.828, -11.269, 1.924) ( 0.07, 0.02, 0.10) 250: strbnd ( 1.105, -0.095, 0.631) ( 1.104, -0.095, 0.630) ( 0.10, 0.01, 0.02) 250: torsion ( 1.263, -4.544, -4.977) ( 1.263, -4.544, -4.977) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.574, 1.387, 1.663) ( 1.574, 1.387, 1.663) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 28 ( -0.164, 0.308, 0.056) ( -0.159, 0.314, 0.060) ( 0.08, 0.19, 0.03) 250: bond ( -2.953, -11.140, 2.764) ( -2.949, -11.136, 2.768) ( 0.12, 0.04, 0.15) 250: angle ( -6.707, 11.635, 3.591) ( -6.705, 11.637, 3.594) ( 0.03, 0.02, 0.06) 250: strbnd ( 1.933, -1.383, -4.721) ( 1.932, -1.383, -4.722) ( 0.05, 0.02, 0.03) 250: torsion ( -0.767, 1.045, 0.680) ( -0.767, 1.045, 0.680) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.685, -1.579, 0.134) ( -1.684, -1.579, 0.134) ( 0.01, 0.00, 0.00) 249: torsion ( -5.151, -1.716, 0.095) ( -5.151, -1.716, 0.095) ( 0.01, 0.00, 0.00) 249: oop ( 0.822, 0.291, 0.005) ( 0.739, 0.246, -0.007) ( 6.84, 1.33, 0.01) 249: vdw ( 0.760, -1.774, 1.397) ( 0.760, -1.774, 1.397) ( 0.00, 0.00, 0.00) 249: electro ( 0.031, 0.874, 4.384) ( 0.031, 0.874, 4.384) ( 0.00, 0.00, 0.00) 249: 7 ( 0.027, -0.054, -0.013) ( 1.051, 0.373, -0.176) ( 2.79, 2.29, 0.21) 249: bond ( 0.090, 4.496, -20.215) ( 0.091, 4.501, -20.209) ( 0.01, 0.11, 0.03) 249: angle (-15.244, 23.751, 22.270) (-15.243, 23.753, 22.272) ( 0.00, 0.01, 0.01) 249: strbnd ( 1.022, -1.367, -2.985) ( 1.022, -1.367, -2.985) ( 0.02, 0.04, 0.02) 249: torsion ( 13.561, 4.422, -0.317) ( 13.562, 4.422, -0.317) ( 0.00, 0.00, 0.00) 249: oop ( -7.262, -2.827, 1.384) ( -6.240, -2.406, 1.213) (14.07, 14.88, 12.33) 249: vdw ( 1.549, -6.037, -1.007) ( 1.549, -6.037, -1.007) ( 0.00, 0.00, 0.00) 249: electro ( 6.310, -22.492, 0.857) ( 6.310, -22.492, 0.857) ( 0.00, 0.00, 0.00) 249: 8 ( 0.007, -0.006, 0.002) ( -0.107, -0.035, 0.019) ( 0.08, 0.02, 0.00) 249: bond ( -0.074, 3.834, 13.477) ( -0.074, 3.834, 13.485) ( 0.00, 0.02, 0.06) 249: angle ( -0.976, 3.229, -0.924) ( -0.976, 3.229, -0.924) ( 0.00, 0.02, 0.01) 249: strbnd ( 0.552, -0.030, 7.860) ( 0.552, -0.029, 7.860) ( 0.00, 0.00, 0.00) 249: torsion ( 1.574, 0.412, -0.108) ( 1.574, 0.412, -0.108) ( 0.01, 0.00, 0.00) 249: oop ( 0.503, 0.135, -0.036) ( 0.388, 0.104, -0.028) ( 5.76, 0.41, 0.03) 249: vdw ( -0.515, -2.328, -5.755) ( -0.515, -2.328, -5.755) ( 0.00, 0.01, 0.00) 249: electro ( -1.057, -5.257, -14.512) ( -1.057, -5.257, -14.512) ( 0.00, 0.00, 0.00) 249: 9 ( -0.019, 0.027, 0.003) ( -0.360, -0.161, 0.046) ( 0.63, 0.51, 0.01) 249: bond ( -4.936, 9.104, 1.104) ( -4.935, 9.107, 1.104) ( 0.02, 0.03, 0.01) 249: angle ( 2.548, 2.956, -12.993) ( 2.548, 2.956, -12.993) ( 0.00, 0.00, 0.01) 249: strbnd ( -3.655, 7.442, -0.124) ( -3.655, 7.443, -0.124) ( 0.00, 0.00, 0.00) 249: torsion ( -4.666, -2.462, -0.552) ( -4.665, -2.461, -0.552) ( 0.00, 0.00, 0.00) 249: oop ( 2.201, 1.235, -0.352) ( 1.859, 1.045, -0.309) (15.54, 15.42, 1.50) 249: vdw ( 2.138, -3.876, 4.785) ( 2.138, -3.876, 4.785) ( 0.00, 0.00, 0.00) 249: electro ( 6.351, -14.374, 8.135) ( 6.351, -14.374, 8.135) ( 0.00, 0.00, 0.00) 249: 10 ( -0.004, 0.002, -0.012) ( -0.404, -0.128, 0.118) ( 0.15, 0.03, 0.16) 249: bond ( -0.018, -0.075, -0.136) ( -0.018, -0.074, -0.133) ( 0.00, 0.01, 0.05) 249: angle ( 4.844, -9.644, 4.710) ( 4.844, -9.644, 4.711) ( 0.00, 0.01, 0.00) 249: strbnd ( 0.264, -0.055, -0.251) ( 0.264, -0.055, -0.251) ( 0.00, 0.00, 0.00) 249: torsion ( -4.455, -0.421, 0.829) ( -4.455, -0.421, 0.829) ( 0.00, 0.00, 0.00) 249: oop ( 3.071, 0.983, -0.957) ( 2.670, 0.852, -0.830) (13.05, 12.95, 12.12) 249: vdw ( 0.672, -1.547, 1.346) ( 0.672, -1.547, 1.346) ( 0.00, 0.00, 0.00) 249: electro ( -4.382, 10.762, -5.553) ( -4.382, 10.762, -5.553) ( 0.00, 0.00, 0.00) 249: ok 16 # gradients 245/333 Test #249: origtest_ffmmff94_2 ................................................................................. Passed 460.85 sec test 251 Start 251: origtest_ffmmff94_4 251: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffmmff94" "4" 251: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 251: Environment variables: 251: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 251: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 251: Test timeout computed to be: 1500 251: # Testing MMFF94 Force Field... 251: ok 1 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : cudpas.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 248: bond ( -1.203, -0.681, 0.064) ( -1.200, -0.680, 0.064) ( 0.25, 0.07, 0.00) 248: angle ( -3.337, 5.858, -0.289) ( -3.337, 5.858, -0.289) ( 0.00, 0.01, 0.00) 248: strbnd ( 0.884, -1.534, 0.070) ( 0.884, -1.534, 0.070) ( 0.00, 0.00, 0.00) 248: torsion ( -0.026, -0.127, -1.856) ( -0.026, -0.127, -1.856) ( 0.00, 0.00, 0.02) 248: oop ( -0.003, -0.017, -0.242) ( -0.002, -0.012, -0.171) ( 0.00, 0.01, 1.70) 248: vdw ( 0.644, 0.265, -0.021) ( 0.644, 0.265, -0.021) ( 0.00, 0.00, 0.00) 248: electro ( 0.688, -0.147, 0.070) ( 0.688, -0.147, 0.070) ( 0.00, 0.00, 0.00) 248: 13 ( -2.636, -4.315, -0.527) ( -2.633, -4.310, -0.502) ( 0.12, 0.11, 1.28) 248: bond ( -1.376, 1.267, -0.103) ( -1.374, 1.269, -0.103) ( 0.15, 0.14, 0.00) 248: angle ( -4.815, -5.170, 0.545) ( -4.815, -5.170, 0.545) ( 0.01, 0.01, 0.00) 248: strbnd ( 1.880, 0.883, -0.174) ( 1.880, 0.883, -0.174) ( 0.00, 0.00, 0.00) 248: torsion ( -0.019, -0.089, -0.837) ( -0.019, -0.089, -0.837) ( 0.00, 0.00, 0.03) 248: oop ( -0.002, -0.010, -0.098) ( -0.002, -0.008, -0.074) ( 0.00, 0.00, 0.23) 248: vdw ( 1.159, -0.292, -0.017) ( 1.159, -0.292, -0.017) ( 0.00, 0.00, 0.00) 248: electro ( 0.537, -0.904, 0.158) ( 0.537, -0.904, 0.158) ( 0.00, 0.00, 0.00) 248: 14 ( 26.387, 19.947, 15.099) ( 26.412, 20.010, 15.009) ( 0.09, 0.32, 0.60) 248: bond ( 2.000, 0.807, 0.393) ( 2.004, 0.812, 0.397) ( 0.19, 0.36, 0.17) 248: angle ( 29.017, 24.625, 15.667) ( 29.019, 24.627, 15.669) ( 0.01, 0.01, 0.01) 248: strbnd ( -3.684, -7.464, -4.429) ( -3.685, -7.465, -4.430) ( 0.02, 0.01, 0.02) 248: torsion ( -0.089, -0.284, 0.463) ( -0.089, -0.284, 0.463) ( 0.00, 0.00, 0.01) 248: oop ( -0.074, -0.220, 0.362) ( -0.055, -0.162, 0.267) ( 0.14, 1.28, 3.46) 248: vdw ( -0.663, 2.502, 1.775) ( -0.663, 2.502, 1.775) ( 0.00, 0.00, 0.00) 248: electro ( -0.120, -0.020, 0.867) ( -0.120, -0.020, 0.867) ( 0.00, 0.00, 0.00) 248: 15 ( 2.734, -4.218, -1.241) ( 2.755, -4.158, -1.336) ( 0.79, 1.41, 7.69) 248: bond ( 1.169, 0.545, 0.557) ( 1.172, 0.545, 0.558) ( 0.23, 0.03, 0.03) 248: angle ( 3.953, -5.603, -2.827) ( 3.953, -5.602, -2.827) ( 0.00, 0.01, 0.00) 248: strbnd ( -0.998, 1.310, 0.666) ( -0.998, 1.310, 0.666) ( 0.00, 0.00, 0.00) 248: torsion ( -0.049, -0.169, 0.268) ( -0.049, -0.169, 0.269) ( 0.00, 0.00, 0.01) 248: oop ( -0.064, -0.204, 0.334) ( -0.045, -0.145, 0.237) ( 0.12, 1.19, 3.22) 248: vdw ( -0.604, -0.224, -0.242) ( -0.604, -0.224, -0.242) ( 0.00, 0.00, 0.00) 248: electro ( -0.672, 0.127, 0.003) ( -0.672, 0.127, 0.003) ( 0.00, 0.00, 0.00) 248: 16 ( 2.391, 3.742, 2.202) ( 2.389, 3.731, 2.224) ( 0.08, 0.30, 0.99) 248: bond ( 1.377, -1.119, -0.400) ( 1.379, -1.118, -0.400) ( 0.16, 0.13, 0.01) 248: angle ( 4.447, 4.280, 3.375) ( 4.447, 4.280, 3.375) ( 0.01, 0.01, 0.01) 248: strbnd ( -1.774, -0.686, -0.825) ( -1.774, -0.686, -0.825) ( 0.00, 0.00, 0.00) 248: torsion ( 0.054, 0.148, -0.229) ( 0.054, 0.148, -0.229) ( 0.00, 0.00, 0.01) 248: oop ( 0.018, 0.053, -0.087) ( 0.013, 0.040, -0.065) ( 0.01, 0.07, 0.18) 248: vdw ( -1.150, 0.297, -0.072) ( -1.149, 0.297, -0.072) ( 0.00, 0.00, 0.00) 248: electro ( -0.582, 0.770, 0.440) ( -0.582, 0.770, 0.440) ( 0.00, 0.00, 0.00) 248: 17 ( 12.700, 29.735, 18.160) ( 12.714, 29.776, 18.099) ( 0.11, 0.14, 0.34) 248: bond ( -3.169, 26.110, 15.008) ( -3.169, 26.113, 15.009) ( 0.01, 0.01, 0.01) 248: angle ( 14.067, 0.347, 2.366) ( 14.068, 0.347, 2.366) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.226, 2.694, 1.435) ( -0.226, 2.694, 1.435) ( 0.00, 0.00, 0.00) 248: torsion ( 0.187, 0.538, -0.897) ( 0.187, 0.538, -0.897) ( 0.00, 0.00, 0.01) 248: oop ( -0.055, -0.172, 0.287) ( -0.042, -0.134, 0.224) ( 0.07, 0.65, 1.81) 250: electro ( 10.015, 1.730, -2.393) ( 10.015, 1.730, -2.393) ( 0.00, 0.00, 0.00) 250: 29 ( -0.089, 0.132, -0.028) ( -0.179, 0.268, 0.043) ( 0.80, 1.80, 0.20) 250: bond ( -3.268, 7.249, 5.605) ( -3.264, 7.254, 5.609) ( 0.11, 0.06, 0.08) 250: angle ( 1.228, -5.262, -5.708) ( 1.229, -5.261, -5.706) ( 0.14, 0.03, 0.04) 250: strbnd ( -1.075, 1.910, 2.578) ( -1.075, 1.910, 2.578) ( 0.06, 0.02, 0.02) 250: torsion ( -1.983, -2.819, -0.108) ( -1.983, -2.819, -0.108) ( 0.00, 0.00, 0.00) 250: oop ( 0.919, -1.262, -0.629) ( 0.825, -1.132, -0.564) ( 8.72, 10.33, 4.10) 250: vdw ( 3.898, -0.356, -3.193) ( 3.898, -0.356, -3.193) ( 0.00, 0.00, 0.00) 250: electro ( 0.191, 0.672, 1.426) ( 0.191, 0.672, 1.426) ( 0.00, 0.00, 0.00) 250: 30 ( -1.041, 1.402, 0.516) ( -0.321, 0.483, 0.053) (69.21, 65.53, 23.86) 250: bond ( -1.273, -3.810, 6.037) ( -1.269, -3.807, 6.047) ( 0.30, 0.07, 0.16) 250: angle ( 1.224, 1.913, 5.350) ( 1.225, 1.914, 5.352) ( 0.15, 0.07, 0.03) 250: strbnd ( -1.468, 0.550, -3.069) ( -1.469, 0.549, -3.071) ( 0.07, 0.04, 0.07) 250: torsion ( -0.091, 0.173, 0.599) ( -0.091, 0.173, 0.599) ( 0.00, 0.00, 0.00) 250: oop ( -3.638, 4.815, 2.435) ( -2.922, 3.893, 1.963) (19.69, 19.15, 19.39) 250: vdw ( 6.948, -1.148, -6.767) ( 6.948, -1.148, -6.767) ( 0.00, 0.00, 0.00) 250: electro ( -2.744, -1.090, -4.069) ( -2.744, -1.090, -4.069) ( 0.00, 0.00, 0.00) 250: 31 ( 0.881, -1.368, -1.069) ( 0.567, -0.962, -0.854) (27.76, 29.71, 20.14) 250: bond ( 0.058, 0.328, -0.551) ( 0.058, 0.330, -0.546) ( 0.00, 0.06, 0.28) 250: angle ( -2.127, -1.116, -0.901) ( -2.127, -1.116, -0.901) ( 0.03, 0.02, 0.01) 250: strbnd ( -0.372, -0.811, 1.064) ( -0.372, -0.811, 1.064) ( 0.00, 0.01, 0.01) 250: torsion ( 0.357, -0.491, -0.258) ( 0.357, -0.491, -0.258) ( 0.00, 0.00, 0.00) 250: oop ( 1.362, -1.784, -0.930) ( 1.047, -1.380, -0.720) (23.18, 22.66, 19.55) 250: vdw ( 3.653, 3.015, -1.101) ( 3.653, 3.015, -1.101) ( 0.00, 0.00, 0.00) 250: electro ( -2.050, -0.510, 1.609) ( -2.050, -0.510, 1.609) ( 0.00, 0.00, 0.00) 250: 32 ( -0.790, 1.265, 0.167) ( -1.091, 1.654, 0.369) (23.83, 30.79, 3.37) 250: bond ( -3.495, -0.110, -5.185) ( -3.493, -0.110, -5.181) ( 0.06, 0.00, 0.09) 250: angle ( 0.338, 0.315, -0.235) ( 0.339, 0.316, -0.235) ( 0.01, 0.02, 0.00) 250: strbnd ( 0.426, -0.497, 1.754) ( 0.426, -0.497, 1.754) ( 0.01, 0.00, 0.01) 250: torsion ( -0.160, 0.219, 0.103) ( -0.160, 0.219, 0.103) ( 0.00, 0.00, 0.00) 250: oop ( 1.355, -1.770, -0.876) ( 1.050, -1.382, -0.679) (22.48, 21.97, 17.28) 250: vdw ( 8.930, 2.395, -1.527) ( 8.930, 2.395, -1.527) ( 0.00, 0.00, 0.00) 250: electro ( -8.183, 0.713, 6.132) ( -8.183, 0.713, 6.132) ( 0.00, 0.00, 0.00) 250: 33 ( -0.924, 0.360, -0.139) ( -0.923, 0.367, -0.135) ( 0.06, 0.24, 0.05) 250: bond ( -0.019, -1.678, -1.610) ( -0.019, -1.671, -1.608) ( 0.00, 0.37, 0.18) 250: angle ( 8.749, -2.680, 5.549) ( 8.750, -2.680, 5.550) ( 0.01, 0.01, 0.02) 250: strbnd ( 0.282, -2.395, -3.567) ( 0.282, -2.395, -3.567) ( 0.00, 0.00, 0.01) 250: torsion ( -0.756, 0.926, -0.619) ( -0.756, 0.926, -0.619) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.059, 4.362, 2.702) ( 2.059, 4.362, 2.702) ( 0.01, 0.00, 0.00) 250: electro (-11.239, 1.825, -2.594) (-11.239, 1.825, -2.594) ( 0.00, 0.00, 0.00) 250: 34 ( 0.039, 0.551, 0.057) ( 0.045, 0.552, 0.061) ( 0.02, 0.04, 0.02) 250: bond ( 13.740, 3.045, -11.264) ( 13.745, 3.046, -11.261) ( 0.04, 0.01, 0.03) 250: angle ( 3.434, -0.862, -3.531) ( 3.435, -0.861, -3.530) ( 0.02, 0.04, 0.03) 250: strbnd ( -0.868, -0.657, 2.046) ( -0.868, -0.658, 2.046) ( 0.01, 0.00, 0.02) 251: 1 ( 0.007, -0.034, -0.015) ( 0.020, -0.030, -0.011) ( 0.01, 0.01, 0.01) 251: bond ( -0.627, 15.886, -4.916) ( -0.627, 15.888, -4.911) ( 0.02, 0.01, 0.10) 251: angle ( 0.285, -5.925, 1.613) ( 0.285, -5.923, 1.613) ( 0.00, 0.03, 0.02) 251: strbnd ( 0.281, -0.139, 0.833) ( 0.281, -0.139, 0.834) ( 0.00, 0.00, 0.06) 251: torsion ( 1.474, -0.034, -0.301) ( 1.475, -0.034, -0.301) ( 0.05, 0.00, 0.00) 251: oop ( -0.070, 0.000, 0.013) ( -0.058, 0.000, 0.010) ( 0.08, 0.00, 0.00) 251: vdw ( 0.215, -8.567, 1.182) ( 0.215, -8.567, 1.182) ( 0.00, 0.00, 0.00) 251: electro ( -1.551, -1.255, 1.561) ( -1.551, -1.255, 1.561) ( 0.00, 0.00, 0.00) 251: 2 ( 0.000, 0.058, 0.027) ( 0.024, 0.065, 0.030) ( 0.00, 0.04, 0.01) 251: bond ( -2.164, -2.951, -9.934) ( -2.163, -2.945, -9.929) ( 0.01, 0.20, 0.05) 251: angle ( -0.734, 3.034, -3.472) ( -0.734, 3.036, -3.470) ( 0.01, 0.06, 0.05) 251: strbnd ( -0.457, 4.090, -1.781) ( -0.457, 4.089, -1.781) ( 0.00, 0.01, 0.01) 251: torsion ( -0.364, 0.018, 0.072) ( -0.363, 0.018, 0.072) ( 0.04, 0.00, 0.00) 251: oop ( -0.132, -0.000, 0.028) ( -0.109, -0.000, 0.023) ( 0.29, 0.00, 0.01) 251: vdw ( 2.945, -6.240, 14.926) ( 2.945, -6.240, 14.926) ( 0.00, 0.00, 0.00) 251: electro ( 0.905, 2.108, 0.188) ( 0.905, 2.108, 0.188) ( 0.00, 0.00, 0.00) 251: 3 ( -0.013, -0.134, -0.004) ( -0.081, -0.127, 0.017) ( 0.09, 0.09, 0.01) 251: bond ( -2.856, 1.520, -14.141) ( -2.856, 1.526, -14.136) ( 0.01, 0.37, 0.04) 251: angle ( 0.155, 3.466, 1.738) ( 0.155, 3.468, 1.740) ( 0.00, 0.05, 0.09) 251: strbnd ( -0.578, -2.580, -2.569) ( -0.578, -2.580, -2.569) ( 0.00, 0.01, 0.00) 251: torsion ( 5.075, 0.158, -0.979) ( 5.077, 0.158, -0.979) ( 0.02, 0.00, 0.00) 251: oop ( 0.439, 0.006, -0.089) ( 0.369, 0.005, -0.074) ( 3.06, 0.00, 0.13) 251: vdw ( -0.451, 3.238, 15.457) ( -0.451, 3.238, 15.457) ( 0.00, 0.01, 0.00) 251: electro ( -1.798, -5.942, 0.580) ( -1.798, -5.942, 0.580) ( 0.00, 0.00, 0.00) 251: 4 ( 0.002, 0.065, -0.009) ( 0.146, 0.078, 0.012) ( 0.03, 0.08, 0.02) 251: bond ( 0.739, -9.087, 3.961) ( 0.739, -9.082, 3.966) ( 0.03, 0.05, 0.13) 251: angle ( 9.507, 2.833, 4.739) ( 9.507, 2.835, 4.740) ( 0.00, 0.07, 0.03) 251: strbnd ( -2.902, 7.782, -9.865) ( -2.902, 7.782, -9.865) ( 0.01, 0.00, 0.00) 251: torsion ( -1.466, -0.116, 0.262) ( -1.465, -0.116, 0.263) ( 0.07, 0.00, 0.00) 251: oop ( -0.861, -0.029, 0.012) ( -0.719, -0.023, 0.026) (12.21, 0.02, 0.02) 251: vdw ( -5.002, -2.445, -0.447) ( -5.002, -2.445, -0.447) ( 0.00, 0.01, 0.00) 251: electro ( -0.012, 1.128, 1.328) ( -0.012, 1.127, 1.328) ( 0.00, 0.00, 0.00) 251: 5 ( 0.005, -0.046, 0.001) ( -0.130, -0.039, 0.034) ( 0.07, 0.03, 0.00) 251: bond ( 3.837, -3.968, 21.878) ( 3.837, -3.963, 21.884) ( 0.01, 0.13, 0.03) 251: angle ( 0.847, -10.923, 3.951) ( 0.847, -10.921, 3.952) ( 0.01, 0.02, 0.05) 251: strbnd ( -1.746, 12.103, -11.050) ( -1.746, 12.103, -11.050) ( 0.01, 0.00, 0.01) 251: torsion ( -3.129, -0.067, 0.763) ( -3.128, -0.067, 0.763) ( 0.04, 0.00, 0.00) 251: oop ( 0.796, 0.002, -0.144) ( 0.659, 0.002, -0.119) (10.87, 0.00, 0.36) 251: vdw ( -1.003, 0.572, -15.165) ( -1.003, 0.573, -15.165) ( 0.00, 0.01, 0.00) 251: electro ( 0.403, 2.234, -0.231) ( 0.403, 2.234, -0.231) ( 0.00, 0.00, 0.00) 251: 6 ( -0.014, 0.019, -0.059) ( -0.034, 0.026, -0.048) ( 0.03, 0.01, 0.07) 251: bond ( 2.360, 2.726, 12.251) ( 2.360, 2.732, 12.256) ( 0.01, 0.21, 0.04) 251: angle ( -0.066, 1.649, -0.869) ( -0.066, 1.650, -0.868) ( 0.00, 0.11, 0.16) 251: strbnd ( 0.208, 6.438, 1.157) ( 0.208, 6.438, 1.157) ( 0.00, 0.01, 0.00) 248: vdw ( -0.563, -0.467, -0.562) ( -0.563, -0.467, -0.562) ( 0.00, 0.00, 0.00) 248: electro ( 2.460, 0.686, 0.523) ( 2.460, 0.686, 0.523) ( 0.00, 0.00, 0.00) 248: 18 (-16.599, -32.980, 10.375) (-16.606, -32.943, 10.559) ( 0.04, 0.11, 1.78) 248: bond ( 1.321, -29.709, 5.246) ( 1.321, -29.705, 5.247) ( 0.01, 0.01, 0.01) 248: angle (-16.050, -0.489, 1.274) (-16.050, -0.489, 1.274) ( 0.01, 0.00, 0.00) 248: strbnd ( 0.072, -3.233, 0.861) ( 0.072, -3.233, 0.861) ( 0.00, 0.00, 0.00) 248: torsion ( -0.052, 0.751, 4.265) ( -0.052, 0.751, 4.266) ( 0.00, 0.00, 0.00) 248: oop ( 0.009, -0.150, -0.851) ( 0.001, -0.118, -0.667) ( 0.01, 0.48, 15.66) 248: vdw ( 0.603, 0.572, -0.221) ( 0.603, 0.572, -0.221) ( 0.00, 0.00, 0.00) 248: electro ( -2.501, -0.722, -0.200) ( -2.501, -0.722, -0.200) ( 0.00, 0.00, 0.00) 248: 19 ( -9.549, -16.055, -9.499) ( -9.547, -16.054, -9.498) ( 0.02, 0.01, 0.01) 248: bond ( 6.549, -6.489, -5.236) ( 6.550, -6.488, -5.235) ( 0.02, 0.02, 0.02) 248: angle (-15.891, -11.333, -5.837) (-15.890, -11.333, -5.837) ( 0.00, 0.00, 0.01) 248: strbnd ( -1.046, 0.503, 0.436) ( -1.046, 0.503, 0.436) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.839, 1.264, 1.139) ( 0.839, 1.264, 1.139) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 20 ( -6.872, -6.628, -8.449) ( -6.870, -6.627, -8.448) ( 0.02, 0.01, 0.02) 248: bond ( -7.287, 3.445, -8.054) ( -7.286, 3.445, -8.052) ( 0.02, 0.01, 0.02) 248: angle ( -1.156, -10.327, -3.372) ( -1.156, -10.326, -3.372) ( 0.02, 0.01, 0.01) 248: strbnd ( 1.415, -1.060, 1.430) ( 1.415, -1.060, 1.430) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.156, 1.313, 1.547) ( 0.156, 1.313, 1.547) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 21 ( -5.154, -11.419, -3.897) ( -5.153, -11.418, -3.895) ( 0.02, 0.01, 0.04) 248: bond ( -5.951, -7.142, 6.246) ( -5.950, -7.141, 6.247) ( 0.02, 0.02, 0.02) 248: angle ( -0.744, -6.990, -8.698) ( -0.743, -6.990, -8.698) ( 0.02, 0.00, 0.01) 248: strbnd ( 1.377, 1.441, -1.809) ( 1.377, 1.441, -1.809) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.163, 1.273, 0.365) ( 0.163, 1.273, 0.365) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 ( 6.707, 14.950, -4.095) ( 6.709, 14.951, -4.094) ( 0.04, 0.00, 0.03) 248: bond ( 10.180, 0.038, -5.182) ( 10.183, 0.038, -5.181) ( 0.02, 0.00, 0.01) 248: angle ( -0.643, 16.864, -1.139) ( -0.642, 16.864, -1.139) ( 0.01, 0.00, 0.03) 248: strbnd ( -2.565, 0.430, 1.327) ( -2.565, 0.430, 1.327) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.266, -2.382, 0.899) ( -0.266, -2.382, 0.899) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( 7.712, 7.044, 4.929) ( 7.712, 7.045, 4.931) ( 0.01, 0.01, 0.05) 248: bond ( 2.115, 4.636, 9.930) ( 2.115, 4.637, 9.932) ( 0.01, 0.01, 0.02) 16: Warning: Stereochemistry is wrong, using distance geometry instead 248: angle ( 6.274, 3.725, -3.075) ( 6.274, 3.725, -3.075) ( 0.01, 0.01, 0.00) 248: strbnd ( -0.199, -0.342, -1.642) ( -0.199, -0.342, -1.642) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.477, -0.975, -0.284) ( -0.477, -0.975, -0.284) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( 10.798, 13.827, -7.791) ( 10.799, 13.829, -7.790) ( 0.01, 0.01, 0.02) 248: bond ( -5.076, 7.231, -5.839) ( -5.075, 7.232, -5.838) ( 0.01, 0.02, 0.02) 248: angle ( 15.920, 8.574, -3.218) ( 15.920, 8.575, -3.218) ( 0.00, 0.00, 0.01) 248: strbnd ( 0.876, -0.556, 0.755) ( 0.876, -0.556, 0.755) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.922, -1.422, 0.511) ( -0.922, -1.422, 0.511) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 16 # gradients 248: ok 17 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 250: torsion ( -0.397, 0.278, 0.129) ( -0.397, 0.278, 0.129) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.894, 2.781, 6.709) ( -1.894, 2.781, 6.709) ( 0.01, 0.00, 0.00) 250: electro (-13.976, -4.035, 5.969) (-13.976, -4.035, 5.969) ( 0.00, 0.00, 0.00) 250: 35 ( 0.215, -0.454, -0.523) ( 0.219, -0.455, -0.518) ( 0.09, 0.03, 0.24) 250: bond ( 2.204, -0.030, -0.236) ( 2.207, -0.030, -0.236) ( 0.17, 0.00, 0.00) 250: angle ( -0.031, -0.619, -0.215) ( -0.031, -0.619, -0.215) ( 0.00, 0.04, 0.00) 250: strbnd ( -0.630, -0.117, 0.028) ( -0.630, -0.117, 0.028) ( 0.00, 0.00, 0.00) 250: torsion ( -0.041, 0.142, -0.401) ( -0.041, 0.142, -0.401) ( 0.00, 0.00, 0.01) 250: oop ( -0.003, 0.009, -0.025) ( -0.002, 0.007, -0.021) ( 0.00, 0.00, 0.01) 250: vdw ( -0.755, 0.010, 0.078) ( -0.755, 0.010, 0.078) ( 0.00, 0.00, 0.00) 250: electro ( -0.529, 0.151, 0.248) ( -0.529, 0.151, 0.248) ( 0.00, 0.00, 0.00) 250: 36 ( 0.007, -0.633, 0.684) ( 0.009, -0.633, 0.694) ( 0.00, 0.02, 0.66) 250: bond ( 1.008, -1.858, -0.711) ( 1.009, -1.855, -0.710) ( 0.08, 0.14, 0.03) 250: angle ( -0.810, -0.409, -0.083) ( -0.810, -0.408, -0.083) ( 0.04, 0.01, 0.00) 250: strbnd ( -0.164, 0.654, 0.244) ( -0.164, 0.654, 0.244) ( 0.00, 0.00, 0.00) 250: torsion ( 0.047, -0.195, 0.576) ( 0.047, -0.195, 0.577) ( 0.00, 0.00, 0.02) 250: oop ( -0.004, 0.018, -0.054) ( -0.003, 0.015, -0.045) ( 0.00, 0.01, 0.05) 250: vdw ( -0.412, 0.629, 0.244) ( -0.412, 0.629, 0.244) ( 0.00, 0.00, 0.00) 250: electro ( 0.342, 0.528, 0.467) ( 0.342, 0.528, 0.467) ( 0.00, 0.00, 0.00) 250: 37 ( 0.096, -0.359, 0.906) ( 0.097, -0.351, 0.890) ( 0.00, 0.30, 1.47) 250: bond ( -1.065, -1.705, -0.491) ( -1.064, -1.702, -0.491) ( 0.09, 0.15, 0.01) 250: angle ( 2.772, -1.525, -0.719) ( 2.772, -1.525, -0.719) ( 0.02, 0.01, 0.00) 250: strbnd ( 0.823, 1.075, 0.277) ( 0.823, 1.075, 0.277) ( 0.00, 0.00, 0.00) 250: torsion ( 0.096, -0.361, 1.046) ( 0.096, -0.361, 1.046) ( 0.00, 0.00, 0.03) 250: oop ( 0.009, -0.035, 0.104) ( 0.007, -0.030, 0.087) ( 0.00, 0.02, 0.17) 250: vdw ( -4.611, 3.272, -0.769) ( -4.611, 3.272, -0.769) ( 0.00, 0.00, 0.00) 250: electro ( 2.074, -1.079, 1.460) ( 2.074, -1.079, 1.460) ( 0.00, 0.00, 0.00) 250: 38 ( 0.416, 0.331, -1.341) ( 0.421, 0.315, -1.283) ( 0.22, 0.54, 4.33) 250: bond ( -0.610, 1.154, 0.431) ( -0.609, 1.156, 0.432) ( 0.05, 0.23, 0.02) 250: angle ( 2.171, 1.091, 0.140) ( 2.172, 1.091, 0.140) ( 0.03, 0.01, 0.00) 250: strbnd ( 0.292, -0.874, -0.249) ( 0.292, -0.874, -0.249) ( 0.00, 0.00, 0.00) 250: torsion ( -0.070, 0.364, -1.074) ( -0.070, 0.364, -1.074) ( 0.00, 0.00, 0.03) 250: oop ( -0.025, 0.116, -0.346) ( -0.021, 0.097, -0.289) ( 0.01, 0.22, 1.99) 250: vdw ( -0.968, -2.087, -0.646) ( -0.967, -2.087, -0.646) ( 0.00, 0.00, 0.00) 250: electro ( -0.374, 0.569, 0.403) ( -0.374, 0.569, 0.403) ( 0.00, 0.00, 0.00) 250: 39 ( 0.380, 0.037, -1.541) ( 0.383, 0.036, -1.529) ( 0.11, 0.00, 0.79) 250: bond ( 1.161, 1.766, 0.453) ( 1.162, 1.769, 0.453) ( 0.09, 0.14, 0.01) 250: angle ( 0.496, -0.284, -0.165) ( 0.497, -0.284, -0.165) ( 0.02, 0.00, 0.00) 250: strbnd ( -0.428, -0.962, -0.256) ( -0.428, -0.962, -0.256) ( 0.00, 0.00, 0.00) 250: torsion ( -0.154, 0.452, -1.372) ( -0.154, 0.452, -1.372) ( 0.00, 0.00, 0.02) 250: oop ( -0.008, 0.023, -0.071) ( -0.007, 0.019, -0.059) ( 0.00, 0.01, 0.08) 250: vdw ( -0.423, -0.628, -0.165) ( -0.423, -0.628, -0.165) ( 0.00, 0.00, 0.00) 250: electro ( -0.264, -0.330, 0.035) ( -0.264, -0.330, 0.035) ( 0.00, 0.00, 0.00) 251: torsion ( -0.540, 0.017, 0.090) ( -0.539, 0.017, 0.090) ( 0.06, 0.00, 0.00) 251: oop ( 0.087, -0.000, -0.019) ( 0.064, -0.000, -0.014) ( 0.19, 0.00, 0.01) 251: vdw ( -2.723, -10.804, -13.580) ( -2.723, -10.804, -13.580) ( 0.00, 0.00, 0.00) 251: electro ( 0.661, -0.008, 0.910) ( 0.661, -0.008, 0.910) ( 0.00, 0.00, 0.00) 251: 7 ( -0.000, -0.025, 0.003) ( 0.044, -0.019, -0.000) ( 0.00, 0.02, 0.00) 251: bond ( -0.276, 9.120, -8.956) ( -0.276, 9.125, -8.952) ( 0.01, 0.06, 0.04) 251: angle ( -2.902, 6.048, -7.259) ( -2.902, 6.049, -7.258) ( 0.00, 0.01, 0.01) 251: strbnd ( 4.031, -4.453, 22.176) ( 4.031, -4.453, 22.175) ( 0.00, 0.00, 0.00) 251: torsion ( 0.760, -0.466, -0.265) ( 0.760, -0.466, -0.265) ( 0.02, 0.00, 0.00) 251: oop ( -0.230, 0.002, 0.039) ( -0.186, 0.002, 0.031) ( 1.01, 0.00, 0.03) 251: vdw ( 1.328, -4.801, -4.259) ( 1.328, -4.800, -4.259) ( 0.00, 0.00, 0.00) 251: electro ( -2.711, -5.475, -1.472) ( -2.711, -5.475, -1.472) ( 0.00, 0.00, 0.00) 251: 8 ( -0.053, 0.027, -0.033) ( -0.216, -0.497, -0.226) ( 0.87, 1.39, 0.64) 251: bond ( -3.938, 9.942, -2.316) ( -3.934, 9.949, -2.315) ( 0.12, 0.07, 0.05) 251: angle ( -3.540, -17.066, -4.696) ( -3.538, -17.064, -4.695) ( 0.04, 0.01, 0.02) 251: strbnd ( 4.437, -1.012, 2.201) ( 4.437, -1.013, 2.201) ( 0.01, 0.09, 0.00) 251: torsion ( 2.311, -0.228, -0.758) ( 2.312, -0.228, -0.757) ( 0.01, 0.00, 0.04) 251: oop ( 1.408, 4.166, 1.238) ( 1.240, 3.633, 1.042) (11.95, 12.78, 15.83) 251: vdw ( -0.128, 4.264, 1.509) ( -0.128, 4.264, 1.509) ( 0.00, 0.00, 0.01) 251: electro ( -0.604, -0.039, 2.789) ( -0.604, -0.039, 2.789) ( 0.00, 0.00, 0.00) 251: 9 ( 0.038, -0.049, 0.024) ( 0.022, -0.042, 0.070) ( 0.06, 0.04, 0.11) 251: bond ( -6.811, -11.830, -2.866) ( -6.806, -11.826, -2.865) ( 0.08, 0.03, 0.04) 251: angle ( -5.541, 23.308, -2.368) ( -5.540, 23.310, -2.368) ( 0.01, 0.01, 0.01) 251: strbnd ( -9.346, -15.538, -3.964) ( -9.346, -15.538, -3.964) ( 0.00, 0.00, 0.00) 251: torsion ( -0.130, 0.142, -0.104) ( -0.130, 0.142, -0.103) ( 0.00, 0.00, 0.01) 251: oop ( 0.089, -0.009, -0.185) ( 0.068, -0.007, -0.140) ( 0.19, 0.00, 0.82) 251: vdw ( 4.010, 3.065, 1.034) ( 4.010, 3.065, 1.034) ( 0.00, 0.00, 0.00) 251: electro ( 17.767, 0.813, 8.478) ( 17.767, 0.813, 8.478) ( 0.00, 0.00, 0.00) 251: 10 ( -0.019, 0.024, -0.011) ( -0.016, 0.025, -0.010) ( 0.01, 0.00, 0.00) 251: bond ( -2.271, 0.707, -0.996) ( -2.268, 0.707, -0.996) ( 0.12, 0.02, 0.05) 251: angle ( -3.799, -14.334, -1.531) ( -3.799, -14.334, -1.531) ( 0.00, 0.00, 0.00) 251: strbnd ( -3.911, 0.756, -1.713) ( -3.911, 0.756, -1.713) ( 0.00, 0.01, 0.00) 251: torsion ( -1.084, 0.022, 2.483) ( -1.084, 0.022, 2.483) ( 0.00, 0.00, 0.01) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 12.753, 14.661, 1.096) ( 12.753, 14.662, 1.096) ( 0.00, 0.00, 0.00) 251: electro ( -1.708, -1.788, 0.651) ( -1.708, -1.788, 0.651) ( 0.00, 0.00, 0.00) 251: 11 ( 0.015, -0.026, 0.001) ( 0.771, 2.628, 0.451) ( 1.12, 6.89, 0.06) 251: bond ( 3.189, -2.270, -2.910) ( 3.195, -2.269, -2.901) ( 0.19, 0.03, 0.31) 251: angle (-10.982, 12.274, -10.144) (-10.980, 12.275, -10.142) ( 0.02, 0.01, 0.02) 251: strbnd ( 9.932, -4.142, 5.975) ( 9.932, -4.142, 5.974) ( 0.01, 0.00, 0.01) 251: torsion ( 1.366, 0.855, -1.969) ( 1.366, 0.855, -1.969) ( 0.00, 0.01, 0.00) 251: oop ( -4.523, -15.083, -2.694) ( -3.775, -12.431, -2.255) (16.55, 17.58, 16.29) 251: vdw ( -4.277, 7.452, 2.371) ( -4.277, 7.452, 2.371) ( 0.00, 0.00, 0.00) 251: electro ( 5.310, 0.888, 9.373) ( 5.310, 0.888, 9.373) ( 0.00, 0.00, 0.00) 251: 12 ( -0.011, 0.000, 0.007) ( -0.290, -1.084, -0.175) ( 0.29, 0.02, 0.14) 250: 40 ( 0.267, 2.896, -2.083) ( 0.251, 2.749, -1.926) ( 0.44, 5.06, 7.51) 250: bond ( 1.250, -2.067, -1.848) ( 1.251, -2.065, -1.846) ( 0.07, 0.11, 0.10) 250: angle ( -6.227, -1.125, -2.962) ( -6.226, -1.124, -2.961) ( 0.01, 0.01, 0.00) 250: strbnd ( -0.245, -0.553, -0.380) ( -0.245, -0.553, -0.380) ( 0.00, 0.00, 0.00) 250: torsion ( 1.960, -0.598, 1.997) ( 1.960, -0.598, 1.997) ( 0.00, 0.01, 0.00) 250: oop ( 0.155, 1.094, -1.118) ( 0.137, 0.945, -0.964) ( 0.28, 13.62, 13.81) 250: vdw ( -0.907, 0.415, -2.870) ( -0.907, 0.416, -2.870) ( 0.01, 0.00, 0.00) 250: electro ( 4.281, 5.730, 5.098) ( 4.281, 5.730, 5.098) ( 0.00, 0.00, 0.00) 250: 41 ( 0.150, -0.326, -1.122) ( 0.156, -0.330, -1.156) ( 0.09, 0.11, 3.09) 250: bond ( 1.745, -1.007, 0.287) ( 1.748, -1.006, 0.287) ( 0.17, 0.10, 0.00) 250: angle ( 0.464, 0.801, -0.015) ( 0.464, 0.801, -0.015) ( 0.01, 0.05, 0.00) 250: strbnd ( 0.646, 0.353, -0.007) ( 0.646, 0.352, -0.007) ( 0.00, 0.00, 0.00) 250: torsion ( 0.413, -0.701, -4.980) ( 0.413, -0.701, -4.980) ( 0.00, 0.00, 0.01) 250: oop ( -0.012, 0.022, 0.147) ( -0.009, 0.017, 0.112) ( 0.00, 0.01, 0.51) 250: vdw ( -2.888, -0.070, 2.547) ( -2.888, -0.069, 2.547) ( 0.00, 0.00, 0.00) 250: electro ( -0.219, 0.276, 0.899) ( -0.219, 0.276, 0.899) ( 0.00, 0.00, 0.00) 250: 42 ( -0.022, 0.418, 1.179) ( -0.018, 0.419, 1.187) ( 0.01, 0.04, 0.61) 250: bond ( -1.375, 0.917, 0.310) ( -1.372, 0.918, 0.310) ( 0.19, 0.11, 0.00) 250: angle ( 3.321, 4.944, 0.058) ( 3.321, 4.944, 0.059) ( 0.01, 0.01, 0.00) 250: strbnd ( -1.480, 0.664, 0.304) ( -1.480, 0.664, 0.304) ( 0.00, 0.00, 0.00) 250: torsion ( -0.662, 0.518, -4.465) ( -0.662, 0.518, -4.465) ( 0.00, 0.00, 0.01) 250: oop ( -0.006, 0.005, -0.042) ( -0.005, 0.004, -0.035) ( 0.00, 0.00, 0.03) 250: vdw ( -0.590, -7.239, 3.112) ( -0.590, -7.239, 3.112) ( 0.00, 0.00, 0.00) 250: electro ( 0.772, 0.610, 1.902) ( 0.772, 0.610, 1.902) ( 0.00, 0.00, 0.00) 250: 43 ( -0.711, 0.449, 1.668) ( -0.708, 0.450, 1.671) ( 0.25, 0.04, 0.19) 250: bond ( 1.870, 0.804, -0.109) ( 1.873, 0.804, -0.109) ( 0.17, 0.05, 0.00) 250: angle ( -0.221, 0.524, 0.072) ( -0.221, 0.524, 0.072) ( 0.00, 0.03, 0.00) 250: strbnd ( -1.440, -0.145, 0.136) ( -1.440, -0.145, 0.136) ( 0.00, 0.00, 0.00) 250: torsion ( 0.118, -0.120, 1.139) ( 0.118, -0.120, 1.139) ( 0.00, 0.00, 0.03) 250: oop ( -0.002, 0.002, -0.018) ( -0.002, 0.002, -0.015) ( 0.00, 0.00, 0.00) 250: vdw ( -0.750, -0.350, 0.003) ( -0.750, -0.350, 0.003) ( 0.00, 0.00, 0.00) 250: electro ( -0.286, -0.265, 0.445) ( -0.286, -0.265, 0.445) ( 0.00, 0.00, 0.00) 250: 44 ( -1.146, 0.069, 0.778) ( -1.144, 0.072, 0.786) ( 0.13, 0.02, 0.61) 250: bond ( 0.202, 1.622, 0.146) ( 0.202, 1.625, 0.146) ( 0.00, 0.23, 0.00) 250: angle ( -1.147, 0.132, 0.122) ( -1.147, 0.132, 0.122) ( 0.06, 0.00, 0.00) 250: strbnd ( -0.299, -0.281, 0.005) ( -0.299, -0.281, 0.005) ( 0.00, 0.00, 0.00) 250: torsion ( 0.051, -0.056, 0.548) ( 0.051, -0.056, 0.549) ( 0.00, 0.00, 0.02) 250: oop ( -0.004, 0.004, -0.044) ( -0.004, 0.004, -0.036) ( 0.00, 0.00, 0.03) 250: vdw ( -0.104, -0.746, -0.073) ( -0.104, -0.746, -0.073) ( 0.00, 0.00, 0.00) 250: electro ( 0.156, -0.607, 0.072) ( 0.156, -0.607, 0.072) ( 0.00, 0.00, 0.00) 250: 45 ( -0.998, -0.419, -0.572) ( -0.996, -0.416, -0.587) ( 0.13, 0.13, 0.80) 250: bond ( -2.026, 1.473, 0.312) ( -2.024, 1.474, 0.312) ( 0.12, 0.09, 0.00) 250: angle ( -0.884, -1.211, -0.011) ( -0.883, -1.211, -0.011) ( 0.02, 0.04, 0.00) 250: strbnd ( 0.669, 0.039, -0.071) ( 0.669, 0.039, -0.071) ( 0.00, 0.00, 0.00) 250: torsion ( -0.083, 0.075, -0.891) ( -0.083, 0.075, -0.891) ( 0.00, 0.00, 0.03) 248: 1 ( 75.919, 23.900, -8.357) ( 75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) 248: bond ( 43.256, 7.487, -14.578) ( 43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) 248: angle ( -0.077, 0.026, -0.013) ( -0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) 248: strbnd ( 27.650, 7.696, -4.671) ( 27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) 248: torsion ( -0.018, 0.018, 0.030) ( -0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) 248: oop ( -0.004, 0.006, 0.012) ( -0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( 5.113, 8.667, 10.865) ( 5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 2 ( -0.007, 70.694, -37.613) ( 0.000, 70.701, -37.611) ( 0.00, 0.01, 0.01) 248: bond ( -0.003, 34.123, -31.161) ( 0.000, 34.128, -31.160) ( 0.00, 0.01, 0.00) 248: angle ( -0.002, 0.021, -0.051) ( 0.000, 0.022, -0.051) ( 0.00, 0.00, 0.00) 248: strbnd ( -0.001, 24.741, -15.277) ( -0.000, 24.742, -15.276) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.007, -0.022) ( 0.000, -0.006, -0.021) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.005, -0.010) ( 0.000, -0.005, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, 11.821, 8.908) ( 0.000, 11.821, 8.908) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( -0.007, -70.710, -37.613) ( -0.000, -70.701, -37.611) ( 0.00, 0.01, 0.01) 248: bond ( -0.003, -34.133, -31.161) ( 0.000, -34.128, -31.160) ( 0.00, 0.01, 0.00) 248: angle ( -0.002, -0.024, -0.051) ( 0.000, -0.022, -0.051) ( 0.00, 0.00, 0.00) 248: strbnd ( -0.001, -24.743, -15.277) ( 0.000, -24.742, -15.276) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, 0.006, -0.022) ( 0.000, 0.006, -0.021) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.005, -0.010) ( 0.000, 0.005, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, -11.821, 8.908) ( -0.000, -11.821, 8.908) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 4 ( 75.919, -23.913, -8.357) ( 75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) 248: bond ( 43.256, -7.494, -14.578) ( 43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) 248: angle ( -0.077, -0.029, -0.013) ( -0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) 248: strbnd ( 27.650, -7.698, -4.671) ( 27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) 248: torsion ( -0.018, -0.018, 0.030) ( -0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) 248: oop ( -0.004, -0.006, 0.012) ( -0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( 5.113, -8.667, 10.865) ( 5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 (-38.554, 47.292, -52.215) (-38.549, 47.297, -52.209) ( 0.01, 0.01, 0.01) 248: bond (-12.136, 26.876, -35.755) (-12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) 248: angle ( -0.007, 0.078, 0.012) ( -0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) 248: strbnd (-12.414, 17.157, -20.001) (-12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) 248: torsion ( 0.017, 0.014, -0.020) ( 0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( 0.005, 0.002, -0.006) ( 0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) 248: vdw (-14.019, 3.164, 3.556) (-14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 6 (-38.554, -47.306, -52.215) (-38.549, -47.297, -52.209) ( 0.01, 0.02, 0.01) 248: bond (-12.136, -26.884, -35.755) (-12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) 248: angle ( -0.007, -0.081, 0.012) ( -0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) 248: strbnd (-12.414, -17.160, -20.001) (-12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) 251: bond ( 10.583, -1.441, -7.782) ( 10.587, -1.441, -7.780) ( 0.04, 0.01, 0.03) 251: angle ( 6.221, -3.313, 9.078) ( 6.221, -3.312, 9.079) ( 0.01, 0.00, 0.01) 251: strbnd ( 0.003, -0.237, 0.497) ( 0.003, -0.237, 0.497) ( 0.00, 0.00, 0.00) 251: torsion ( -0.228, -0.717, -0.178) ( -0.228, -0.717, -0.178) ( 0.00, 0.00, 0.00) 251: oop ( 1.512, 5.503, 1.038) ( 1.228, 4.419, 0.853) (18.78, 19.70, 17.87) 251: vdw ( -3.491, 1.297, -0.137) ( -3.491, 1.297, -0.137) ( 0.00, 0.00, 0.00) 251: electro (-14.610, -1.093, -2.508) (-14.609, -1.093, -2.508) ( 0.00, 0.00, 0.00) 251: 13 ( -0.004, 0.006, -0.028) ( -0.292, -1.034, -0.161) ( 0.12, 0.58, 0.38) 251: bond ( -0.347, -2.236, 17.411) ( -0.347, -2.236, 17.418) ( 0.00, 0.01, 0.04) 251: angle ( 8.341, -2.202, -0.117) ( 8.342, -2.202, -0.117) ( 0.01, 0.01, 0.00) 251: strbnd ( 0.537, -0.164, -1.098) ( 0.537, -0.164, -1.098) ( 0.00, 0.00, 0.00) 251: torsion ( 0.007, 0.019, 0.003) ( 0.007, 0.019, 0.003) ( 0.00, 0.00, 0.00) 251: oop ( 1.643, 5.440, 0.731) ( 1.355, 4.400, 0.592) (17.57, 19.11, 10.18) 251: vdw ( -4.303, 6.079, -2.483) ( -4.303, 6.079, -2.483) ( 0.00, 0.00, 0.00) 251: electro ( -5.883, -6.929, -14.476) ( -5.883, -6.929, -14.476) ( 0.00, 0.00, 0.00) 251: 14 ( -0.006, 0.009, -0.025) ( -0.009, 0.010, -0.021) ( 0.00, 0.00, 0.01) 251: bond ( -0.262, 0.572, -1.210) ( -0.262, 0.573, -1.207) ( 0.00, 0.04, 0.25) 251: angle ( 0.025, 0.262, 0.119) ( 0.025, 0.263, 0.119) ( 0.00, 0.02, 0.00) 251: strbnd ( -0.068, -0.555, -0.311) ( -0.068, -0.555, -0.311) ( 0.00, 0.00, 0.00) 251: torsion ( -0.529, -0.000, 0.115) ( -0.529, -0.000, 0.115) ( 0.01, 0.00, 0.00) 251: oop ( 0.026, 0.000, -0.006) ( 0.022, 0.000, -0.005) ( 0.01, 0.00, 0.00) 251: vdw ( 0.090, -0.573, 0.418) ( 0.090, -0.573, 0.418) ( 0.00, 0.00, 0.00) 251: electro ( 0.711, 0.304, 0.851) ( 0.711, 0.304, 0.851) ( 0.00, 0.00, 0.00) 251: 15 ( 0.011, 0.025, 0.020) ( 0.026, 0.027, 0.019) ( 0.02, 0.00, 0.00) 251: bond ( -0.317, -1.110, -1.455) ( -0.317, -1.109, -1.453) ( 0.00, 0.12, 0.16) 251: angle ( 0.046, -0.282, 0.205) ( 0.046, -0.282, 0.205) ( 0.00, 0.01, 0.00) 251: strbnd ( -0.095, 0.271, -0.498) ( -0.095, 0.271, -0.498) ( 0.00, 0.00, 0.00) 251: torsion ( -1.381, 0.015, 0.290) ( -1.380, 0.015, 0.290) ( 0.02, 0.00, 0.00) 251: oop ( -0.079, 0.000, 0.017) ( -0.065, 0.000, 0.014) ( 0.11, 0.00, 0.01) 251: vdw ( -0.910, -2.950, 3.814) ( -0.910, -2.950, 3.814) ( 0.00, 0.00, 0.00) 251: electro ( 2.748, 4.081, -2.353) ( 2.748, 4.081, -2.353) ( 0.00, 0.00, 0.00) 251: 16 ( -0.000, -0.001, 0.020) ( 0.015, 0.001, 0.020) ( 0.00, 0.00, 0.00) 251: bond ( 0.218, 1.033, 1.174) ( 0.219, 1.034, 1.176) ( 0.00, 0.16, 0.18) 251: angle ( -0.076, 0.463, -0.393) ( -0.076, 0.463, -0.393) ( 0.00, 0.02, 0.01) 251: strbnd ( 0.016, -0.834, 0.057) ( 0.016, -0.834, 0.057) ( 0.00, 0.00, 0.00) 251: torsion ( -0.089, -0.002, 0.018) ( -0.089, -0.002, 0.018) ( 0.00, 0.00, 0.00) 251: oop ( -0.109, 0.000, 0.020) ( -0.094, 0.000, 0.017) ( 0.17, 0.00, 0.01) 251: vdw ( 0.013, -2.157, 0.235) ( 0.013, -2.157, 0.235) ( 0.00, 0.00, 0.00) 251: electro ( 0.026, 1.497, -1.090) ( 0.026, 1.496, -1.090) ( 0.00, 0.00, 0.00) 251: 17 ( -0.000, 0.006, -0.002) ( -0.000, 0.011, -0.001) ( 0.00, 0.00, 0.00) 251: bond ( -1.080, -6.670, 0.744) ( -1.080, -6.665, 0.744) ( 0.02, 0.08, 0.01) 251: angle ( 2.207, 0.691, 9.393) ( 2.207, 0.691, 9.393) ( 0.00, 0.00, 0.00) 251: strbnd ( -0.344, -1.784, -0.047) ( -0.344, -1.784, -0.047) ( 0.00, 0.00, 0.00) 251: torsion ( -2.062, 0.385, 0.456) ( -2.062, 0.385, 0.456) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.933, -2.094, -5.972) ( 0.933, -2.094, -5.971) ( 0.00, 0.00, 0.00) 251: electro ( 0.346, 9.478, -4.577) ( 0.346, 9.478, -4.577) ( 0.00, 0.00, 0.00) 251: ok 2 # gradients 251: ok 3 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : fadvub.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 250: oop ( 0.008, -0.007, 0.085) ( 0.007, -0.006, 0.071) ( 0.00, 0.00, 0.12) 250: vdw ( 0.563, -0.681, -0.091) ( 0.563, -0.681, -0.091) ( 0.00, 0.00, 0.00) 250: electro ( 0.755, -0.106, 0.094) ( 0.755, -0.106, 0.094) ( 0.00, 0.00, 0.00) 250: 46 ( -0.462, -0.436, -1.022) ( -0.460, -0.433, -1.035) ( 0.08, 0.10, 1.34) 250: bond ( -1.548, -0.548, 0.144) ( -1.545, -0.547, 0.145) ( 0.21, 0.02, 0.00) 250: angle ( -2.690, 7.839, 0.924) ( -2.690, 7.840, 0.924) ( 0.00, 0.01, 0.00) 250: strbnd ( 2.263, 1.431, -0.188) ( 2.263, 1.431, -0.188) ( 0.00, 0.00, 0.00) 250: torsion ( -0.041, 0.010, -0.399) ( -0.041, 0.010, -0.398) ( 0.00, 0.00, 0.01) 250: oop ( 0.011, -0.007, 0.092) ( 0.009, -0.006, 0.078) ( 0.00, 0.00, 0.13) 250: vdw ( 2.373, -10.506, -1.864) ( 2.373, -10.506, -1.864) ( 0.00, 0.00, 0.00) 250: electro ( -0.829, 1.345, 0.268) ( -0.829, 1.345, 0.268) ( 0.00, 0.00, 0.00) 250: 47 ( -0.364, 0.001, 0.224) ( -0.363, 0.002, 0.227) ( 0.04, 0.00, 0.06) 250: bond ( 2.065, 0.651, 4.277) ( 2.066, 0.651, 4.280) ( 0.03, 0.01, 0.06) 250: angle ( -1.189, 0.877, 0.440) ( -1.189, 0.878, 0.440) ( 0.04, 0.06, 0.01) 250: strbnd ( -1.004, -2.559, -2.464) ( -1.004, -2.559, -2.464) ( 0.00, 0.00, 0.00) 250: torsion ( 0.081, 1.012, -0.193) ( 0.081, 1.012, -0.193) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.317, 0.020, -1.836) ( -0.317, 0.020, -1.835) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 48 ( 0.158, 0.208, 0.381) ( 0.161, 0.209, 0.382) ( 0.05, 0.03, 0.02) 250: bond ( -1.345, -0.662, -0.174) ( -1.342, -0.661, -0.174) ( 0.21, 0.04, 0.00) 250: angle ( 2.482, -5.347, 1.171) ( 2.482, -5.347, 1.171) ( 0.00, 0.01, 0.04) 250: strbnd ( -0.569, -0.838, -0.623) ( -0.569, -0.838, -0.623) ( 0.00, 0.00, 0.00) 250: torsion ( 0.479, -1.375, 1.531) ( 0.479, -1.375, 1.531) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.889, 8.429, -1.524) ( -0.889, 8.429, -1.524) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 49 ( 0.370, -0.684, 0.437) ( 0.371, -0.684, 0.441) ( 0.03, 0.03, 0.14) 250: bond ( -0.186, 0.025, -0.685) ( -0.186, 0.025, -0.682) ( 0.00, 0.00, 0.22) 250: angle ( 1.336, -2.129, -0.442) ( 1.336, -2.128, -0.442) ( 0.04, 0.02, 0.00) 250: strbnd ( 0.611, -0.262, -0.310) ( 0.611, -0.262, -0.310) ( 0.00, 0.00, 0.00) 250: torsion ( -0.104, -0.201, 0.021) ( -0.104, -0.201, 0.021) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.287, 1.882, 1.854) ( -1.287, 1.882, 1.854) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 50 ( 0.588, 0.088, 1.012) ( 0.589, 0.092, 1.013) ( 0.04, 0.03, 0.07) 250: bond ( 0.403, -2.471, 0.627) ( 0.403, -2.468, 0.627) ( 0.00, 0.12, 0.01) 250: angle ( 5.516, 0.699, -0.794) ( 5.517, 0.699, -0.793) ( 0.01, 0.00, 0.04) 250: strbnd ( 0.314, 1.208, -0.817) ( 0.314, 1.208, -0.817) ( 0.00, 0.00, 0.00) 250: torsion ( -0.531, -0.207, -0.474) ( -0.531, -0.207, -0.474) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.114, 0.860, 2.470) ( -5.114, 0.860, 2.470) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 51 ( -0.316, -0.193, -0.505) ( -0.315, -0.192, -0.503) ( 0.06, 0.02, 0.10) 250: bond ( 0.716, -0.298, -0.826) ( 0.717, -0.297, -0.824) ( 0.10, 0.01, 0.15) 248: torsion ( 0.017, -0.014, -0.020) ( 0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( 0.005, -0.002, -0.006) ( 0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) 248: vdw (-14.019, -3.165, 3.556) (-14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 7 (-75.934, 23.900, -8.357) (-75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) 248: bond (-43.264, 7.487, -14.578) (-43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) 248: angle ( 0.075, 0.026, -0.013) ( 0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) 248: strbnd (-27.652, 7.696, -4.671) (-27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) 248: torsion ( 0.017, 0.018, 0.030) ( 0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) 248: oop ( 0.004, 0.006, 0.012) ( 0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -5.113, 8.667, 10.865) ( -5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 8 (-75.934, -23.913, -8.357) (-75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) 248: bond (-43.264, -7.494, -14.578) (-43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) 248: angle ( 0.075, -0.029, -0.013) ( 0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) 248: strbnd (-27.652, -7.698, -4.671) (-27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) 248: torsion ( 0.017, -0.018, 0.030) ( 0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) 248: oop ( 0.004, -0.006, 0.012) ( 0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -5.113, -8.667, 10.865) ( -5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 9 ( 47.292, 52.205, 38.542) ( 47.297, 52.209, 38.549) ( 0.01, 0.01, 0.02) 248: bond ( 26.876, 35.751, 12.130) ( 26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) 248: angle ( 0.078, -0.014, 0.005) ( 0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) 248: strbnd ( 17.157, 20.000, 12.412) ( 17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) 248: torsion ( 0.014, 0.019, -0.017) ( 0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) 248: oop ( 0.002, 0.006, -0.006) ( 0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 248: vdw ( 3.164, -3.556, 14.019) ( 3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 10 ( 8.348, 75.919, 23.900) ( 8.353, 75.928, 23.905) ( 0.06, 0.01, 0.02) 248: bond ( 14.575, 43.256, 7.487) ( 14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) 248: angle ( 0.011, -0.077, 0.026) ( 0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( 4.670, 27.650, 7.696) ( 4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) 248: torsion ( -0.031, -0.018, 0.018) ( -0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.012, -0.004, 0.006) ( -0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) 248: vdw (-10.865, 5.113, 8.667) (-10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 11 ( 8.348, -75.934, 23.900) ( 8.353, -75.928, 23.905) ( 0.06, 0.01, 0.02) 248: bond ( 14.575, -43.264, 7.487) ( 14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) 248: angle ( 0.011, 0.075, 0.026) ( 0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( 4.670, -27.652, 7.696) ( 4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) 248: torsion ( -0.031, 0.017, 0.018) ( -0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.012, 0.004, 0.006) ( -0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) 248: vdw (-10.865, -5.113, 8.667) (-10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 12 ( 47.292, -52.215, 38.542) ( 47.297, -52.209, 38.549) ( 0.01, 0.01, 0.02) 251: 1 ( 0.032, -0.022, -0.017) ( 0.040, -0.014, -0.012) ( 0.03, 0.02, 0.01) 251: bond ( 4.193, -0.133, 4.673) ( 4.200, -0.126, 4.676) ( 0.15, 0.09, 0.07) 251: angle (-17.099, -3.471, -8.358) (-17.096, -3.469, -8.356) ( 0.01, 0.07, 0.03) 251: strbnd ( 4.695, 5.793, 5.057) ( 4.694, 5.792, 5.057) ( 0.02, 0.01, 0.01) 251: torsion ( -0.415, -0.232, 3.381) ( -0.415, -0.232, 3.381) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.119, -2.488, -2.762) ( -0.119, -2.488, -2.762) ( 0.00, 0.00, 0.00) 251: electro ( 8.777, 0.508, -2.008) ( 8.777, 0.508, -2.008) ( 0.00, 0.00, 0.00) 251: 2 ( -0.013, 0.003, 0.000) ( -0.008, 0.006, 0.001) ( 0.01, 0.00, 0.00) 251: bond ( 1.103, -0.872, 0.032) ( 1.108, -0.869, 0.032) ( 0.43, 0.26, 0.00) 251: angle ( 5.971, 7.760, 4.115) ( 5.971, 7.760, 4.115) ( 0.00, 0.01, 0.02) 251: strbnd ( -1.798, 1.228, -0.204) ( -1.798, 1.228, -0.204) ( 0.00, 0.01, 0.00) 251: torsion ( -0.240, -0.377, -1.934) ( -0.240, -0.377, -1.934) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -3.447, -0.778, -4.529) ( -3.447, -0.778, -4.529) ( 0.00, 0.00, 0.00) 251: electro ( -1.601, -6.958, 2.522) ( -1.601, -6.958, 2.522) ( 0.00, 0.00, 0.00) 251: 3 ( -0.004, 0.032, 0.024) ( -0.000, 0.037, 0.026) ( 0.00, 0.02, 0.00) 251: bond ( 2.117, 3.479, 0.356) ( 2.120, 3.484, 0.357) ( 0.15, 0.14, 0.04) 251: angle ( 5.205, 1.489, 6.637) ( 5.206, 1.489, 6.638) ( 0.02, 0.02, 0.01) 251: strbnd ( 0.649, -4.129, -1.875) ( 0.649, -4.130, -1.875) ( 0.00, 0.01, 0.01) 251: torsion ( -1.574, 1.955, -4.025) ( -1.574, 1.955, -4.025) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -1.957, -2.115, -2.420) ( -1.957, -2.115, -2.420) ( 0.00, 0.00, 0.00) 251: electro ( -4.445, -0.646, 1.351) ( -4.445, -0.646, 1.351) ( 0.00, 0.00, 0.00) 251: 4 ( 0.013, 0.008, 0.009) ( 0.018, 0.014, 0.015) ( 0.01, 0.00, 0.01) 251: bond ( -4.350, -2.902, 1.332) ( -4.346, -2.898, 1.336) ( 0.09, 0.15, 0.33) 251: angle ( 2.535, 3.636, -0.898) ( 2.537, 3.638, -0.897) ( 0.07, 0.05, 0.15) 251: strbnd ( -0.741, -1.162, 0.765) ( -0.742, -1.163, 0.764) ( 0.06, 0.04, 0.04) 251: torsion ( 0.668, -0.672, 0.545) ( 0.668, -0.672, 0.545) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.251, 0.436, -2.285) ( 0.251, 0.436, -2.285) ( 0.00, 0.00, 0.00) 251: electro ( 1.651, 0.673, 0.551) ( 1.651, 0.673, 0.551) ( 0.00, 0.00, 0.00) 251: 5 ( -0.017, -0.028, -0.024) ( -0.011, -0.023, -0.020) ( 0.01, 0.01, 0.01) 251: bond ( -5.276, 10.539, 0.735) ( -5.272, 10.543, 0.738) ( 0.08, 0.04, 0.23) 251: angle ( 5.214, -11.328, 4.079) ( 5.216, -11.326, 4.081) ( 0.04, 0.02, 0.05) 251: strbnd ( 0.208, 1.026, -1.791) ( 0.207, 1.025, -1.792) ( 0.01, 0.09, 0.06) 251: torsion ( 1.012, 1.023, -1.293) ( 1.012, 1.023, -1.293) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -3.996, -2.526, -2.331) ( -3.996, -2.526, -2.331) ( 0.00, 0.00, 0.00) 251: electro ( 2.822, 1.238, 0.577) ( 2.822, 1.238, 0.577) ( 0.00, 0.00, 0.00) 251: 6 ( 0.047, 0.015, -0.035) ( 0.053, 0.020, -0.030) ( 0.03, 0.01, 0.02) 251: bond ( 3.643, -8.573, -2.156) ( 3.647, -8.569, -2.152) ( 0.12, 0.05, 0.18) 251: angle ( -3.553, 12.963, -7.820) ( -3.551, 12.965, -7.818) ( 0.05, 0.02, 0.03) 251: strbnd ( 3.941, -0.711, 4.570) ( 3.941, -0.712, 4.569) ( 0.01, 0.05, 0.02) 250: angle ( 1.189, -5.329, 2.958) ( 1.189, -5.328, 2.959) ( 0.03, 0.01, 0.01) 250: strbnd ( -0.047, -0.589, -0.422) ( -0.047, -0.589, -0.422) ( 0.00, 0.00, 0.00) 250: torsion ( 0.936, -0.735, 1.080) ( 0.936, -0.735, 1.080) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.110, 6.758, -3.296) ( -3.110, 6.758, -3.296) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 52 ( -0.101, -0.092, -0.176) ( -0.100, -0.090, -0.175) ( 0.01, 0.02, 0.01) 250: bond ( 1.134, -2.431, 0.852) ( 1.134, -2.428, 0.852) ( 0.05, 0.10, 0.03) 250: angle ( -3.696, -1.139, 1.674) ( -3.696, -1.138, 1.675) ( 0.01, 0.01, 0.03) 250: strbnd ( -1.209, 1.211, -0.450) ( -1.209, 1.211, -0.450) ( 0.00, 0.00, 0.00) 250: torsion ( -0.018, 0.060, 0.194) ( -0.018, 0.060, 0.194) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.689, 2.206, -2.447) ( 3.689, 2.206, -2.447) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 53 ( 0.304, -0.091, -0.474) ( 0.305, -0.090, -0.471) ( 0.04, 0.01, 0.12) 250: bond ( -0.341, -0.134, -0.569) ( -0.341, -0.134, -0.567) ( 0.03, 0.00, 0.14) 250: angle ( 0.912, -4.148, 0.434) ( 0.913, -4.147, 0.434) ( 0.03, 0.01, 0.01) 250: strbnd ( -0.362, -0.327, 0.331) ( -0.362, -0.327, 0.331) ( 0.00, 0.00, 0.00) 250: torsion ( 0.427, -0.471, -0.145) ( 0.427, -0.471, -0.145) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.333, 4.990, -0.524) ( -0.333, 4.990, -0.524) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 54 ( 0.047, 0.327, 0.213) ( 0.048, 0.328, 0.216) ( 0.00, 0.04, 0.06) 250: bond ( 0.044, 0.448, -1.022) ( 0.044, 0.449, -1.019) ( 0.00, 0.02, 0.28) 250: angle ( -5.073, 4.709, 1.855) ( -5.072, 4.710, 1.855) ( 0.01, 0.01, 0.00) 250: strbnd ( -0.688, -1.108, -0.508) ( -0.688, -1.108, -0.508) ( 0.00, 0.00, 0.00) 250: torsion ( 0.301, 0.513, 0.239) ( 0.301, 0.513, 0.239) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.463, -4.236, -0.352) ( 5.463, -4.236, -0.352) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 55 ( -0.139, -0.301, 0.325) ( -0.139, -0.299, 0.327) ( 0.01, 0.06, 0.06) 250: bond ( 0.004, -0.058, -0.057) ( 0.004, -0.056, -0.056) ( 0.00, 0.01, 0.01) 250: angle ( -0.993, 1.847, -1.929) ( -0.992, 1.847, -1.929) ( 0.07, 0.01, 0.01) 250: strbnd ( -0.720, -1.271, 0.377) ( -0.720, -1.271, 0.377) ( 0.00, 0.00, 0.00) 250: torsion ( 0.101, 0.125, -0.120) ( 0.101, 0.125, -0.120) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.469, -0.945, 2.055) ( 1.469, -0.944, 2.055) ( 0.01, 0.01, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 56 ( -0.037, -0.300, -0.241) ( -0.036, -0.299, -0.238) ( 0.00, 0.04, 0.06) 250: bond ( 0.176, 1.777, -3.219) ( 0.177, 1.777, -3.216) ( 0.00, 0.04, 0.08) 250: angle ( -1.373, -1.962, -1.160) ( -1.373, -1.962, -1.159) ( 0.05, 0.02, 0.01) 250: strbnd ( -0.304, 0.067, 1.171) ( -0.304, 0.067, 1.171) ( 0.00, 0.00, 0.00) 250: torsion ( -1.378, 0.531, 0.218) ( -1.378, 0.532, 0.218) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.841, -0.714, 2.749) ( 2.842, -0.714, 2.749) ( 0.01, 0.00, 0.00) 248: bond ( 26.876, -35.755, 12.130) ( 26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) 248: angle ( 0.078, 0.012, 0.005) ( 0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) 248: strbnd ( 17.157, -20.001, 12.412) ( 17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) 248: torsion ( 0.014, -0.020, -0.017) ( 0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) 248: oop ( 0.002, -0.006, -0.006) ( 0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) 248: vdw ( 3.164, 3.556, 14.019) ( 3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 ( 52.205, -38.554, -47.306) ( 52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) 248: bond ( 35.751, -12.136, -26.884) ( 35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) 248: angle ( -0.014, -0.007, -0.081) ( -0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) 248: strbnd ( 20.000, -12.414, -17.160) ( 20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) 248: torsion ( 0.019, 0.017, -0.014) ( 0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, 0.005, -0.002) ( 0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( -3.556, -14.019, -3.165) ( -3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 14 (-23.913, 8.348, -75.934) (-23.905, 8.353, -75.928) ( 0.03, 0.06, 0.01) 248: bond ( -7.494, 14.575, -43.264) ( -7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) 248: angle ( -0.029, 0.011, 0.075) ( -0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( -7.698, 4.670, -27.652) ( -7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) 248: torsion ( -0.018, -0.031, 0.017) ( -0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, -0.012, 0.004) ( -0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) 248: vdw ( -8.667, -10.865, -5.113) ( -8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 15 ( 52.205, -38.554, 47.292) ( 52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) 248: bond ( 35.751, -12.136, 26.876) ( 35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) 248: angle ( -0.014, -0.007, 0.078) ( -0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) 248: strbnd ( 20.000, -12.414, 17.157) ( 20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) 248: torsion ( 0.019, 0.017, 0.014) ( 0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, 0.005, 0.002) ( 0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( -3.556, -14.019, 3.164) ( -3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 16 (-70.710, 37.607, -0.007) (-70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) 248: bond (-34.133, 31.159, -0.003) (-34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) 248: angle ( -0.024, 0.050, -0.002) ( -0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) 248: strbnd (-24.743, 15.275, -0.001) (-24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( 0.006, 0.020, -0.000) ( 0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( 0.005, 0.010, -0.000) ( 0.005, 0.011, -0.000) ( 0.00, 0.00, 0.00) 248: vdw (-11.821, -8.908, -0.000) (-11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 17 ( 38.542, -47.306, -52.215) ( 38.549, -47.297, -52.209) ( 0.02, 0.02, 0.01) 248: bond ( 12.130, -26.884, -35.755) ( 12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) 248: angle ( 0.005, -0.081, 0.012) ( 0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) 248: strbnd ( 12.412, -17.160, -20.001) ( 12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) 248: torsion ( -0.017, -0.014, -0.020) ( -0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, -0.002, -0.006) ( -0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) 251: torsion ( -0.466, -2.160, 2.319) ( -0.466, -2.160, 2.319) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -3.518, -1.505, 3.052) ( -3.518, -1.505, 3.052) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 7 ( 0.020, 0.062, -0.058) ( -0.071, 0.288, -0.172) ( 0.18, 1.40, 0.66) 251: bond ( 11.219, 18.634, 3.192) ( 11.222, 18.638, 3.196) ( 0.03, 0.02, 0.12) 251: angle ( -2.190, -11.744, 1.811) ( -2.188, -11.742, 1.813) ( 0.09, 0.02, 0.12) 251: strbnd ( -6.827, -7.330, -8.396) ( -6.828, -7.331, -8.397) ( 0.01, 0.01, 0.01) 251: torsion ( -2.070, 0.870, 0.194) ( -2.070, 0.870, 0.194) ( 0.00, 0.00, 0.00) 251: oop ( 1.043, -2.385, 1.346) ( 0.948, -2.164, 1.226) ( 9.15, 9.24, 8.89) 251: vdw ( -0.143, 1.896, 2.023) ( -0.143, 1.896, 2.023) ( 0.00, 0.00, 0.00) 251: electro ( -1.011, 0.120, -0.229) ( -1.011, 0.120, -0.229) ( 0.00, 0.00, 0.00) 251: 8 ( -0.037, -0.036, 0.030) ( -0.030, -0.029, 0.037) ( 0.03, 0.02, 0.02) 251: bond ( 31.436, -5.462, -8.582) ( 31.441, -5.456, -8.577) ( 0.02, 0.09, 0.06) 251: angle ( 24.318, 2.673, -13.460) ( 24.320, 2.675, -13.458) ( 0.01, 0.08, 0.02) 251: strbnd ( -3.349, 3.958, 4.185) ( -3.349, 3.958, 4.185) ( 0.01, 0.01, 0.01) 251: torsion ( 0.865, 0.668, -0.128) ( 0.865, 0.668, -0.128) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw (-15.296, -0.490, 6.181) (-15.295, -0.490, 6.182) ( 0.00, 0.00, 0.00) 251: electro (-38.012, -1.383, 11.833) (-38.012, -1.383, 11.833) ( 0.00, 0.01, 0.00) 251: 9 ( -0.084, 0.011, 0.103) ( 0.977, -2.037, 1.266) ( 8.96, 2.15, 12.00) 251: bond (-24.944, 7.709, 33.079) (-24.940, 7.712, 33.088) ( 0.01, 0.04, 0.03) 251: angle (-17.079, 0.187, 13.198) (-17.077, 0.188, 13.199) ( 0.01, 0.02, 0.01) 251: strbnd ( 11.466, -5.334, -19.281) ( 11.465, -5.335, -19.282) ( 0.01, 0.01, 0.01) 251: torsion ( 0.142, -0.694, -0.397) ( 0.142, -0.694, -0.396) ( 0.00, 0.00, 0.00) 251: oop ( -4.647, 9.685, -5.474) ( -3.590, 7.635, -4.320) (22.74, 21.18, 21.08) 251: vdw ( 6.485, -1.479, -2.117) ( 6.485, -1.479, -2.117) ( 0.00, 0.00, 0.00) 251: electro ( 28.493, -10.064, -18.905) ( 28.493, -10.064, -18.904) ( 0.00, 0.00, 0.00) 251: 10 ( 0.052, -0.027, -0.107) ( -0.475, 0.999, -0.671) ( 2.75, 2.73, 6.04) 251: bond ( 7.223, -4.901, -15.530) ( 7.224, -4.900, -15.524) ( 0.02, 0.01, 0.04) 251: angle ( -0.823, 0.087, -0.410) ( -0.822, 0.087, -0.410) ( 0.06, 0.00, 0.00) 251: strbnd ( -5.921, 2.262, 9.306) ( -5.920, 2.262, 9.306) ( 0.00, 0.00, 0.00) 251: torsion ( -0.293, 0.686, -0.353) ( -0.293, 0.686, -0.353) ( 0.00, 0.00, 0.00) 251: oop ( 1.878, -3.841, 2.086) ( 1.349, -2.816, 1.517) (28.20, 26.69, 27.32) 251: vdw ( 10.301, 3.828, 1.517) ( 10.301, 3.828, 1.517) ( 0.00, 0.00, 0.00) 251: electro (-12.313, 1.852, 3.276) (-12.313, 1.852, 3.276) ( 0.00, 0.00, 0.00) 251: 11 ( 0.001, -0.001, -0.007) ( -0.428, 0.808, -0.467) ( 0.06, 0.12, 0.34) 251: bond ( -5.364, -10.247, -12.843) ( -5.364, -10.244, -12.839) ( 0.01, 0.02, 0.03) 251: angle ( 17.615, 2.690, -9.506) ( 17.616, 2.690, -9.506) ( 0.00, 0.00, 0.00) 251: strbnd ( -0.975, 4.889, 8.707) ( -0.975, 4.889, 8.707) ( 0.01, 0.00, 0.00) 251: torsion ( 0.208, -0.464, 0.284) ( 0.208, -0.464, 0.284) ( 0.00, 0.00, 0.00) 251: oop ( 1.725, -3.462, 2.041) ( 1.294, -2.654, 1.578) (24.99, 23.32, 22.72) 251: vdw ( 20.549, 2.004, -4.094) ( 20.550, 2.004, -4.094) ( 0.00, 0.00, 0.00) 251: electro (-33.756, 4.588, 15.404) (-33.756, 4.588, 15.404) ( 0.00, 0.00, 0.00) 251: 12 ( -0.014, -0.020, -0.003) ( -0.011, -0.018, -0.003) ( 0.00, 0.00, 0.00) 16: OK 16: Testing gen3D(3): C1CC[C@H]2[C@@H](C1)CCCC2 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 57 ( 0.041, 0.148, -0.296) ( 0.041, 0.150, -0.294) ( 0.00, 0.03, 0.06) 250: bond ( -0.135, 2.007, 2.146) ( -0.135, 2.009, 2.147) ( 0.00, 0.08, 0.08) 250: angle ( 0.451, -0.692, 0.675) ( 0.452, -0.692, 0.675) ( 0.03, 0.02, 0.02) 250: strbnd ( -0.177, -0.030, -0.939) ( -0.177, -0.030, -0.939) ( 0.00, 0.00, 0.00) 250: torsion ( -1.075, -0.300, 0.213) ( -1.075, -0.300, 0.213) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.976, -0.838, -2.392) ( 0.976, -0.838, -2.392) ( 0.02, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 58 ( -0.254, 0.017, -0.064) ( -0.254, 0.019, -0.062) ( 0.02, 0.00, 0.02) 250: bond ( -0.040, -1.500, 1.928) ( -0.040, -1.499, 1.930) ( 0.00, 0.08, 0.11) 250: angle ( -1.136, 1.312, 0.995) ( -1.135, 1.312, 0.995) ( 0.05, 0.03, 0.02) 250: strbnd ( 0.280, -0.457, -0.574) ( 0.280, -0.457, -0.574) ( 0.00, 0.00, 0.00) 250: torsion ( 0.158, 0.214, 0.170) ( 0.158, 0.214, 0.170) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.484, 0.449, -2.583) ( 0.484, 0.449, -2.583) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 59 ( -0.039, 0.371, 0.524) ( -0.039, 0.373, 0.526) ( 0.00, 0.07, 0.11) 250: bond ( 0.250, 2.246, -2.453) ( 0.250, 2.247, -2.451) ( 0.00, 0.07, 0.07) 250: angle ( -0.227, 0.092, 0.062) ( -0.226, 0.092, 0.062) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.193, -0.135, 1.231) ( -0.193, -0.135, 1.231) ( 0.00, 0.00, 0.00) 250: torsion ( 0.564, 2.085, 1.969) ( 0.564, 2.085, 1.969) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.433, -3.917, -0.285) ( -0.433, -3.917, -0.285) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 60 ( -0.063, -0.072, 0.504) ( -0.062, -0.071, 0.506) ( 0.01, 0.01, 0.13) 250: bond ( 0.260, 1.745, 3.031) ( 0.260, 1.746, 3.033) ( 0.00, 0.05, 0.08) 250: angle ( 3.751, -1.603, 0.601) ( 3.752, -1.603, 0.601) ( 0.02, 0.02, 0.01) 250: strbnd ( -0.199, -0.015, -1.540) ( -0.199, -0.015, -1.540) ( 0.00, 0.00, 0.00) 250: torsion ( -1.382, 1.853, -0.948) ( -1.382, 1.853, -0.948) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.493, -2.052, -0.640) ( -2.493, -2.052, -0.640) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 61 ( -0.281, 0.189, -0.034) ( -0.280, 0.192, -0.033) ( 0.02, 0.06, 0.00) 250: bond ( 0.133, -2.004, 0.580) ( 0.133, -2.001, 0.581) ( 0.00, 0.15, 0.02) 250: angle ( 0.076, -0.444, -1.547) ( 0.077, -0.444, -1.546) ( 0.00, 0.00, 0.04) 250: strbnd ( -0.121, -0.013, 0.295) ( -0.121, -0.013, 0.295) ( 0.00, 0.00, 0.00) 250: torsion ( 0.940, 0.033, -0.103) ( 0.940, 0.033, -0.103) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.309, 2.616, 0.740) ( -1.309, 2.616, 0.740) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 62 ( -0.037, 0.359, 0.037) ( -0.037, 0.362, 0.038) ( 0.00, 0.10, 0.00) 250: bond ( -0.580, 1.889, -0.905) ( -0.580, 1.891, -0.905) ( 0.01, 0.13, 0.05) 250: angle ( -0.273, 0.763, 1.769) ( -0.273, 0.763, 1.769) ( 0.01, 0.01, 0.02) 248: vdw ( 14.019, -3.165, 3.556) ( 14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 18 (-47.306, 52.205, 38.542) (-47.297, 52.209, 38.549) ( 0.02, 0.01, 0.02) 248: bond (-26.884, 35.751, 12.130) (-26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) 248: angle ( -0.081, -0.014, 0.005) ( -0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) 248: strbnd (-17.160, 20.000, 12.412) (-17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) 248: torsion ( -0.014, 0.019, -0.017) ( -0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) 248: oop ( -0.002, 0.006, -0.006) ( -0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 248: vdw ( -3.165, -3.556, 14.019) ( -3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 19 (-23.913, 8.348, 75.919) (-23.905, 8.353, 75.928) ( 0.03, 0.06, 0.01) 248: bond ( -7.494, 14.575, 43.256) ( -7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) 248: angle ( -0.029, 0.011, -0.077) ( -0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( -7.698, 4.670, 27.650) ( -7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) 248: torsion ( -0.018, -0.031, -0.018) ( -0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, -0.012, -0.004) ( -0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) 248: vdw ( -8.667, -10.865, 5.113) ( -8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 20 ( 23.900, 8.348, -75.934) ( 23.905, 8.353, -75.928) ( 0.02, 0.06, 0.01) 248: bond ( 7.487, 14.575, -43.264) ( 7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) 248: angle ( 0.026, 0.011, 0.075) ( 0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( 7.696, 4.670, -27.652) ( 7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) 248: torsion ( 0.018, -0.031, 0.017) ( 0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, -0.012, 0.004) ( 0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 8.667, -10.865, -5.113) ( 8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 21 ( 38.542, 47.292, -52.215) ( 38.549, 47.297, -52.209) ( 0.02, 0.01, 0.01) 248: bond ( 12.130, 26.876, -35.755) ( 12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) 248: angle ( 0.005, 0.078, 0.012) ( 0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) 248: strbnd ( 12.412, 17.157, -20.001) ( 12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) 248: torsion ( -0.017, 0.014, -0.020) ( -0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, 0.002, -0.006) ( -0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 14.019, 3.164, 3.556) ( 14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 ( 37.607, -0.007, 70.694) ( 37.611, 0.000, 70.701) ( 0.01, 0.00, 0.01) 248: bond ( 31.159, -0.003, 34.123) ( 31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) 248: angle ( 0.050, -0.002, 0.021) ( 0.051, 0.000, 0.022) ( 0.00, 0.00, 0.00) 248: strbnd ( 15.275, -0.001, 24.741) ( 15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) 248: torsion ( 0.020, -0.000, -0.007) ( 0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) 248: oop ( 0.010, -0.000, -0.005) ( 0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( -8.908, -0.000, 11.821) ( -8.908, 0.000, 11.821) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( 52.205, 38.542, -47.306) ( 52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) 248: bond ( 35.751, 12.130, -26.884) ( 35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) 251: bond ( -2.108, -1.364, 0.667) ( -2.104, -1.362, 0.667) ( 0.15, 0.09, 0.02) 251: angle ( 1.431, -3.486, -2.605) ( 1.431, -3.486, -2.605) ( 0.00, 0.01, 0.01) 251: strbnd ( -0.286, -0.078, 0.143) ( -0.286, -0.077, 0.143) ( 0.00, 0.00, 0.00) 251: torsion ( 1.600, -1.233, 2.529) ( 1.600, -1.233, 2.529) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.031, -0.022, -0.112) ( -0.031, -0.022, -0.112) ( 0.00, 0.00, 0.00) 251: electro ( -0.620, 6.163, -0.625) ( -0.620, 6.163, -0.625) ( 0.00, 0.00, 0.00) 251: 13 ( -0.027, 0.011, -0.004) ( -0.024, 0.012, -0.004) ( 0.01, 0.00, 0.00) 251: bond ( 0.777, -0.529, 0.119) ( 0.779, -0.528, 0.119) ( 0.18, 0.06, 0.00) 251: angle ( -0.885, -1.096, 0.925) ( -0.884, -1.096, 0.926) ( 0.01, 0.03, 0.04) 251: strbnd ( -1.504, 0.684, -0.090) ( -1.504, 0.684, -0.090) ( 0.00, 0.00, 0.00) 251: torsion ( -0.038, -0.109, -0.234) ( -0.038, -0.109, -0.234) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.623, 1.061, -0.724) ( 1.623, 1.061, -0.724) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 14 ( -0.007, -0.027, -0.010) ( -0.006, -0.024, -0.009) ( 0.00, 0.01, 0.00) 251: bond ( 0.115, 1.126, 0.629) ( 0.115, 1.129, 0.630) ( 0.00, 0.23, 0.05) 251: angle ( -0.934, -0.881, 1.748) ( -0.934, -0.881, 1.748) ( 0.05, 0.01, 0.02) 251: strbnd ( -0.363, -1.245, -0.504) ( -0.363, -1.245, -0.504) ( 0.00, 0.00, 0.00) 251: torsion ( -0.233, 0.175, -0.272) ( -0.233, 0.175, -0.272) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.409, 0.798, -1.611) ( 1.409, 0.798, -1.611) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 15 ( -0.001, -0.003, -0.008) ( -0.000, -0.002, -0.004) ( 0.00, 0.00, 0.00) 251: bond ( -0.078, 0.087, -0.487) ( -0.077, 0.087, -0.484) ( 0.00, 0.00, 0.16) 251: angle ( -0.356, -1.049, -0.131) ( -0.355, -1.048, -0.131) ( 0.02, 0.04, 0.00) 251: strbnd ( -0.107, -0.325, 1.008) ( -0.107, -0.325, 1.008) ( 0.00, 0.00, 0.00) 251: torsion ( -0.227, 0.446, 0.116) ( -0.227, 0.446, 0.116) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.767, 0.838, -0.514) ( 0.767, 0.839, -0.514) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 16 ( -0.007, 0.000, 0.002) ( -0.004, 0.001, 0.003) ( 0.00, 0.00, 0.00) 251: bond ( 0.169, -0.061, 0.004) ( 0.172, -0.060, 0.004) ( 0.05, 0.00, 0.00) 251: angle ( 1.751, 5.151, 2.051) ( 1.751, 5.151, 2.052) ( 0.00, 0.01, 0.03) 251: strbnd ( -0.007, 0.573, -0.048) ( -0.007, 0.573, -0.048) ( 0.00, 0.00, 0.00) 251: torsion ( -0.110, -0.369, -0.744) ( -0.110, -0.369, -0.744) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -1.811, -5.293, -1.262) ( -1.811, -5.293, -1.262) ( 0.00, 0.00, 0.01) 251: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 17 ( -0.003, -0.013, 0.004) ( -0.001, -0.011, 0.005) ( 0.00, 0.00, 0.00) 251: bond ( 1.206, 1.529, -0.696) ( 1.207, 1.530, -0.695) ( 0.10, 0.12, 0.03) 251: angle ( -0.729, -0.235, -1.783) ( -0.729, -0.235, -1.782) ( 0.02, 0.01, 0.03) 251: strbnd ( -0.850, -0.116, 0.251) ( -0.850, -0.116, 0.251) ( 0.00, 0.00, 0.00) 251: torsion ( 0.296, 0.197, 0.948) ( 0.296, 0.197, 0.948) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: strbnd ( -0.325, 0.488, 0.279) ( -0.325, 0.488, 0.279) ( 0.00, 0.00, 0.00) 250: torsion ( 1.294, 0.792, 0.827) ( 1.294, 0.792, 0.827) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.153, -3.573, -1.933) ( -0.153, -3.573, -1.933) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 63 ( -0.297, 0.195, 0.097) ( -0.296, 0.196, 0.100) ( 0.03, 0.01, 0.03) 250: bond ( 0.610, 0.315, 1.633) ( 0.610, 0.315, 1.636) ( 0.02, 0.00, 0.18) 250: angle ( -1.418, 1.386, 0.261) ( -1.418, 1.387, 0.261) ( 0.03, 0.03, 0.00) 250: strbnd ( -0.282, 0.382, 0.365) ( -0.282, 0.382, 0.365) ( 0.00, 0.00, 0.00) 250: torsion ( 0.426, 0.990, -0.350) ( 0.426, 0.990, -0.350) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.367, -2.878, -1.812) ( 0.367, -2.878, -1.812) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 64 ( 5.704, -0.249, 0.138) ( 5.704, -0.244, 0.139) ( 0.00, 0.13, 0.01) 250: bond ( 0.052, 0.524, -0.141) ( 0.052, 0.529, -0.141) ( 0.00, 0.27, 0.01) 250: angle ( 0.150, -0.836, -3.088) ( 0.150, -0.836, -3.088) ( 0.00, 0.00, 0.02) 250: strbnd ( -0.049, -0.575, 0.050) ( -0.049, -0.575, 0.050) ( 0.00, 0.00, 0.00) 250: torsion ( 0.430, -0.034, 0.030) ( 0.430, -0.034, 0.030) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.052, 1.173, 1.899) ( 0.052, 1.173, 1.900) ( 0.00, 0.00, 0.00) 250: electro ( 5.069, -0.500, 1.387) ( 5.069, -0.500, 1.387) ( 0.00, 0.00, 0.00) 250: 65 ( -0.114, 0.570, -0.149) ( -0.109, 0.571, -0.148) ( 0.06, 0.02, 0.01) 250: bond (-17.085, -2.760, 0.383) (-17.080, -2.760, 0.384) ( 0.03, 0.01, 0.00) 250: angle ( 0.082, -0.169, 2.424) ( 0.082, -0.169, 2.425) ( 0.00, 0.00, 0.02) 250: strbnd ( 0.390, 0.135, -0.958) ( 0.390, 0.135, -0.958) ( 0.00, 0.00, 0.00) 250: torsion ( -0.084, 0.524, 0.039) ( -0.084, 0.524, 0.039) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.216, 1.133, 7.265) ( -1.216, 1.133, 7.265) ( 0.00, 0.00, 0.00) 250: electro ( 17.799, 1.709, -9.304) ( 17.799, 1.709, -9.304) ( 0.00, 0.00, 0.00) 250: ok 14 # gradients 250: ok 15 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 248: angle ( -0.014, 0.005, -0.081) ( -0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) 248: strbnd ( 20.000, 12.412, -17.160) ( 20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) 248: torsion ( 0.019, -0.017, -0.014) ( 0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, -0.006, -0.002) ( 0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( -3.556, 14.019, -3.165) ( -3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( -8.357, -75.934, 23.900) ( -8.353, -75.928, 23.905) ( 0.04, 0.01, 0.02) 248: bond (-14.578, -43.264, 7.487) (-14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) 248: angle ( -0.013, 0.075, 0.026) ( -0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( -4.671, -27.652, 7.696) ( -4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) 248: torsion ( 0.030, 0.017, 0.018) ( 0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.012, 0.004, 0.006) ( 0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 10.865, -5.113, 8.667) ( 10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 (-23.913, -8.357, -75.934) (-23.905, -8.353, -75.928) ( 0.03, 0.04, 0.01) 248: bond ( -7.494, -14.578, -43.264) ( -7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) 248: angle ( -0.029, -0.013, 0.075) ( -0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( -7.698, -4.671, -27.652) ( -7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) 248: torsion ( -0.018, 0.030, 0.017) ( -0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, 0.012, 0.004) ( -0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) 248: vdw ( -8.667, 10.865, -5.113) ( -8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 (-47.306, -52.215, 38.542) (-47.297, -52.209, 38.549) ( 0.02, 0.01, 0.02) 248: bond (-26.884, -35.755, 12.130) (-26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) 248: angle ( -0.081, 0.012, 0.005) ( -0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) 248: strbnd (-17.160, -20.001, 12.412) (-17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) 248: torsion ( -0.014, -0.020, -0.017) ( -0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) 248: oop ( -0.002, -0.006, -0.006) ( -0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) 248: vdw ( -3.165, 3.556, 14.019) ( -3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 27 ( 52.205, 38.542, 47.292) ( 52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) 248: bond ( 35.751, 12.130, 26.876) ( 35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) 248: angle ( -0.014, 0.005, 0.078) ( -0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) 248: strbnd ( 20.000, 12.412, 17.157) ( 20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) 248: torsion ( 0.019, -0.017, 0.014) ( 0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, -0.006, 0.002) ( 0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( -3.556, 14.019, 3.164) ( -3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 28 (-70.710, -37.613, -0.007) (-70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) 248: bond (-34.133, -31.161, -0.003) (-34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) 248: angle ( -0.024, -0.051, -0.002) ( -0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) 248: strbnd (-24.743, -15.277, -0.001) (-24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( 0.006, -0.022, -0.000) ( 0.006, -0.021, -0.000) ( 0.00, 0.00, 0.00) 248: oop ( 0.005, -0.010, -0.000) ( 0.005, -0.011, -0.000) ( 0.00, 0.00, 0.00) 248: vdw (-11.821, 8.908, -0.000) (-11.821, 8.908, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.074, -1.387, 1.283) ( 0.074, -1.387, 1.284) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 18 ( -0.002, -0.011, 0.015) ( -0.001, -0.009, 0.017) ( 0.00, 0.00, 0.00) 251: bond ( -0.434, -2.155, 1.394) ( -0.434, -2.153, 1.395) ( 0.00, 0.11, 0.07) 251: angle ( 1.665, -1.741, -2.169) ( 1.666, -1.741, -2.169) ( 0.03, 0.01, 0.02) 251: strbnd ( 0.479, 0.577, -0.839) ( 0.479, 0.577, -0.839) ( 0.00, 0.00, 0.00) 251: torsion ( 0.578, -0.321, -0.316) ( 0.578, -0.321, -0.316) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -2.290, 3.630, 1.944) ( -2.290, 3.630, 1.945) ( 0.00, 0.00, 0.01) 251: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 19 ( -0.048, -0.003, 0.010) ( -0.045, -0.002, 0.010) ( 0.02, 0.00, 0.00) 251: bond ( 3.011, -0.074, -0.795) ( 3.014, -0.074, -0.795) ( 0.10, 0.00, 0.02) 251: angle ( 0.861, 0.161, 3.246) ( 0.861, 0.162, 3.247) ( 0.00, 0.01, 0.02) 251: strbnd ( -1.180, -0.479, 0.265) ( -1.180, -0.479, 0.265) ( 0.00, 0.00, 0.00) 251: torsion ( -0.346, 0.357, -1.346) ( -0.346, 0.357, -1.346) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -2.394, 0.033, -1.359) ( -2.394, 0.033, -1.359) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 20 ( -0.003, -0.042, 0.032) ( -0.002, -0.039, 0.034) ( 0.00, 0.01, 0.00) 251: bond ( -0.042, 1.240, -0.654) ( -0.042, 1.243, -0.653) ( 0.00, 0.21, 0.05) 251: angle ( -0.781, -1.615, -3.020) ( -0.780, -1.614, -3.020) ( 0.04, 0.01, 0.02) 251: strbnd ( -0.130, 0.941, 1.010) ( -0.130, 0.941, 1.010) ( 0.00, 0.00, 0.00) 251: torsion ( 0.609, 0.345, 0.616) ( 0.609, 0.345, 0.616) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.342, -0.953, 2.080) ( 0.342, -0.953, 2.080) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 21 ( 0.012, 0.012, -0.003) ( 0.014, 0.013, -0.002) ( 0.00, 0.00, 0.00) 251: bond (-16.919, -7.195, -8.595) (-16.917, -7.195, -8.594) ( 0.02, 0.01, 0.01) 251: angle ( -8.625, 3.959, 13.661) ( -8.625, 3.959, 13.662) ( 0.00, 0.01, 0.00) 251: strbnd ( 0.614, -0.231, -0.297) ( 0.614, -0.231, -0.297) ( 0.00, 0.00, 0.00) 251: torsion ( -0.035, -0.717, 0.668) ( -0.035, -0.717, 0.668) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -6.207, 2.647, 6.206) ( -6.207, 2.647, 6.206) ( 0.00, 0.00, 0.00) 251: electro ( 31.183, 1.549, -11.648) ( 31.183, 1.549, -11.648) ( 0.00, 0.01, 0.00) 251: 22 ( 0.006, 0.001, -0.013) ( 0.008, 0.003, -0.011) ( 0.00, 0.00, 0.00) 251: bond ( -4.934, -3.520, 6.017) ( -4.932, -3.519, 6.019) ( 0.03, 0.02, 0.04) 251: angle ( -3.213, 0.593, -2.286) ( -3.213, 0.593, -2.286) ( 0.01, 0.03, 0.01) 251: strbnd ( 1.267, -0.292, -1.268) ( 1.267, -0.292, -1.268) ( 0.00, 0.00, 0.00) 251: torsion ( -0.847, 0.124, -0.622) ( -0.847, 0.124, -0.622) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.353, 0.460, 0.417) ( -0.353, 0.460, 0.417) ( 0.00, 0.00, 0.00) 251: electro ( 8.086, 2.636, -2.271) ( 8.086, 2.636, -2.271) ( 0.00, 0.00, 0.00) 251: 23 ( 0.007, 0.003, -0.009) ( 0.008, 0.006, -0.008) ( 0.00, 0.00, 0.00) 251: bond ( -1.822, 3.586, -1.944) ( -1.821, 3.589, -1.943) ( 0.04, 0.08, 0.04) 251: angle (-10.320, -4.719, 0.955) (-10.319, -4.719, 0.956) ( 0.01, 0.00, 0.04) 251: strbnd ( 0.722, -0.493, -0.668) ( 0.722, -0.493, -0.668) ( 0.00, 0.00, 0.00) 251: torsion ( 0.917, 0.500, 0.064) ( 0.917, 0.500, 0.064) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.240, 1.405, 1.413) ( -0.240, 1.405, 1.413) ( 0.00, 0.00, 0.00) 251: electro ( 10.749, -0.275, 0.171) ( 10.749, -0.275, 0.171) ( 0.00, 0.00, 0.00) 251: ok 4 # gradients 251: ok 5 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : fiybiy.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 250: 1 ( -1.689, 29.086, 12.210) ( -1.711, 29.002, 12.363) ( 1.27, 0.29, 1.25) 250: bond (-17.707, 8.335, 2.191) (-17.700, 8.340, 2.193) ( 0.04, 0.06, 0.09) 250: angle ( 17.323, 25.618, 18.944) ( 17.325, 25.620, 18.945) ( 0.01, 0.01, 0.00) 250: strbnd ( -1.493, -7.945, -5.133) ( -1.494, -7.946, -5.134) ( 0.06, 0.01, 0.00) 250: torsion ( 0.601, 2.014, -3.362) ( 0.601, 2.014, -3.362) ( 0.00, 0.01, 0.02) 250: oop ( 0.117, 0.376, -0.635) ( 0.088, 0.286, -0.485) ( 0.35, 3.38, 9.52) 250: vdw ( -0.601, -0.190, -0.199) ( -0.601, -0.190, -0.199) ( 0.00, 0.00, 0.00) 250: electro ( 0.071, 0.878, 0.403) ( 0.071, 0.878, 0.403) ( 0.00, 0.00, 0.00) 250: 2 (-43.130, -3.367, -5.439) (-43.097, -3.287, -5.559) ( 0.08, 2.36, 2.20) 250: bond (-26.717, -2.707, -7.585) (-26.711, -2.702, -7.583) ( 0.02, 0.19, 0.02) 250: angle (-14.462, -4.144, -5.035) (-14.460, -4.143, -5.035) ( 0.01, 0.04, 0.01) 250: strbnd ( 0.308, 7.811, 4.693) ( 0.308, 7.811, 4.693) ( 0.01, 0.01, 0.01) 250: torsion ( -0.735, -2.026, 3.413) ( -0.735, -2.026, 3.414) ( 0.00, 0.02, 0.03) 250: oop ( -0.154, -0.448, 0.744) ( -0.128, -0.375, 0.621) ( 0.40, 3.28, 9.11) 250: vdw ( -1.663, -1.307, -1.215) ( -1.663, -1.307, -1.215) ( 0.00, 0.00, 0.00) 250: electro ( 0.292, -0.546, -0.454) ( 0.292, -0.546, -0.454) ( 0.00, 0.00, 0.00) 250: 3 ( 26.796, 24.803, 13.755) ( 26.767, 24.702, 13.933) ( 0.11, 0.40, 1.30) 250: bond ( 32.244, 7.181, 11.384) ( 32.249, 7.186, 11.386) ( 0.02, 0.06, 0.02) 250: angle ( -9.397, 6.895, 4.311) ( -9.395, 6.897, 4.311) ( 0.02, 0.02, 0.02) 250: strbnd ( 5.047, 6.760, 5.135) ( 5.046, 6.759, 5.135) ( 0.01, 0.01, 0.00) 250: torsion ( 1.173, 3.527, -5.707) ( 1.173, 3.527, -5.706) ( 0.00, 0.01, 0.01) 250: oop ( 0.194, 0.561, -0.910) ( 0.158, 0.454, -0.735) ( 0.69, 5.96, 15.93) 250: vdw ( -2.822, 0.795, 0.719) ( -2.822, 0.795, 0.719) ( 0.00, 0.00, 0.00) 250: electro ( 0.358, -0.916, -1.176) ( 0.358, -0.916, -1.176) ( 0.00, 0.00, 0.00) 250: 4 ( 30.208, 3.073, 6.213) ( 30.219, 3.104, 6.463) ( 0.04, 1.02, 4.03) 250: bond ( 44.923, 3.054, 10.850) ( 44.929, 3.058, 10.852) ( 0.01, 0.15, 0.02) 250: angle (-11.137, 3.853, 1.631) (-11.135, 3.855, 1.632) ( 0.02, 0.05, 0.04) 250: strbnd ( -0.803, -4.122, -2.305) ( -0.804, -4.123, -2.306) ( 0.08, 0.01, 0.01) 250: torsion ( -0.049, -0.229, -1.535) ( -0.049, -0.229, -1.535) ( 0.00, 0.01, 0.05) 250: oop ( -0.023, -0.118, -0.821) ( -0.020, -0.093, -0.574) ( 0.01, 0.29, 20.32) 250: vdw ( -2.511, 0.309, -1.489) ( -2.511, 0.309, -1.489) ( 0.00, 0.00, 0.00) 250: electro ( -0.191, 0.327, -0.117) ( -0.191, 0.327, -0.117) ( 0.00, 0.00, 0.00) 250: 5 ( -7.948, -76.115, -41.479) ( -7.959, -76.157, -41.393) ( 0.13, 0.05, 0.21) 250: bond ( 8.045, -42.089, -24.804) ( 8.052, -42.083, -24.802) ( 0.09, 0.01, 0.01) 250: angle (-16.828, -30.092, -21.409) (-16.826, -30.090, -21.409) ( 0.01, 0.01, 0.00) 250: strbnd ( 5.512, -1.560, 0.571) ( 5.511, -1.560, 0.570) ( 0.02, 0.01, 0.01) 250: torsion ( -1.167, -3.866, 6.122) ( -1.167, -3.866, 6.123) ( 0.00, 0.01, 0.01) 250: oop ( 0.067, 0.201, -0.328) ( 0.049, 0.152, -0.246) ( 0.12, 0.98, 2.70) 250: vdw ( -3.591, 1.489, -1.515) ( -3.591, 1.489, -1.515) ( 0.00, 0.00, 0.00) 250: electro ( 0.014, -0.198, -0.115) ( 0.014, -0.198, -0.115) ( 0.00, 0.00, 0.00) 250: 6 (-30.115, -5.188, 10.096) (-30.111, -5.194, 9.573) ( 0.01, 0.12, 5.18) 250: bond (-46.066, -5.896, 0.687) (-46.059, -5.889, 0.688) ( 0.01, 0.11, 0.01) 250: angle ( 11.582, -5.904, 1.352) ( 11.584, -5.902, 1.352) ( 0.02, 0.04, 0.01) 250: strbnd ( 1.321, 5.298, 0.111) ( 1.319, 5.297, 0.111) ( 0.08, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 29 ( 23.900, -8.357, -75.934) ( 23.905, -8.353, -75.928) ( 0.02, 0.04, 0.01) 248: bond ( 7.487, -14.578, -43.264) ( 7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) 248: angle ( 0.026, -0.013, 0.075) ( 0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( 7.696, -4.671, -27.652) ( 7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) 248: torsion ( 0.018, 0.030, 0.017) ( 0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, 0.012, 0.004) ( 0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 8.667, 10.865, -5.113) ( 8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( 70.694, 37.607, -0.007) ( 70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) 248: bond ( 34.123, 31.159, -0.003) ( 34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) 248: angle ( 0.021, 0.050, -0.002) ( 0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) 248: strbnd ( 24.741, 15.275, -0.001) ( 24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.007, 0.020, -0.000) ( -0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.005, 0.010, -0.000) ( -0.005, 0.011, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 11.821, -8.908, -0.000) ( 11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 31 ( 37.607, -0.007, -70.710) ( 37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) 248: bond ( 31.159, -0.003, -34.133) ( 31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) 248: angle ( 0.050, -0.002, -0.024) ( 0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) 248: strbnd ( 15.275, -0.001, -24.743) ( 15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) 248: torsion ( 0.020, -0.000, 0.006) ( 0.021, -0.000, 0.006) ( 0.00, 0.00, 0.00) 248: oop ( 0.010, -0.000, 0.005) ( 0.011, -0.000, 0.005) ( 0.00, 0.00, 0.00) 248: vdw ( -8.908, -0.000, -11.821) ( -8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 32 ( -8.357, 75.919, 23.900) ( -8.353, 75.928, 23.905) ( 0.04, 0.01, 0.02) 248: bond (-14.578, 43.256, 7.487) (-14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) 248: angle ( -0.013, -0.077, 0.026) ( -0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( -4.671, 27.650, 7.696) ( -4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) 248: torsion ( 0.030, -0.018, 0.018) ( 0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.012, -0.004, 0.006) ( 0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 10.865, 5.113, 8.667) ( 10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 33 (-23.913, -8.357, 75.919) (-23.905, -8.353, 75.928) ( 0.03, 0.04, 0.01) 248: bond ( -7.494, -14.578, 43.256) ( -7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) 248: angle ( -0.029, -0.013, -0.077) ( -0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( -7.698, -4.671, 27.650) ( -7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) 248: torsion ( -0.018, 0.030, -0.018) ( -0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, 0.012, -0.004) ( -0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) 248: vdw ( -8.667, 10.865, 5.113) ( -8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 34 ( 70.694, -37.613, -0.007) ( 70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) 248: bond ( 34.123, -31.161, -0.003) ( 34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) 248: angle ( 0.021, -0.051, -0.002) ( 0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) 248: strbnd ( 24.741, -15.277, -0.001) ( 24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) 16: OK 16: Testing gen3D(3): C1CC[C@@H]2[C@H](C1)CCCC2 251: 1 ( -0.037, 0.000, -0.051) ( -0.039, 0.006, -0.047) ( 0.01, 0.00, 0.02) 251: bond ( 7.810, -1.840, 7.980) ( 7.815, -1.832, 7.984) ( 0.05, 0.48, 0.05) 251: angle ( -4.687, -2.600, -7.659) ( -4.685, -2.598, -7.656) ( 0.05, 0.09, 0.03) 251: strbnd ( 1.520, -7.648, 19.637) ( 1.519, -7.649, 19.636) ( 0.05, 0.01, 0.00) 251: torsion ( 0.281, -0.182, -0.226) ( 0.281, -0.182, -0.226) ( 0.00, 0.00, 0.00) 251: oop ( 0.047, 0.028, 0.008) ( 0.040, 0.024, 0.006) ( 0.04, 0.01, 0.00) 251: vdw ( -0.861, -7.381, 0.991) ( -0.861, -7.381, 0.991) ( 0.00, 0.00, 0.01) 251: electro ( -4.147, 19.624, -20.782) ( -4.147, 19.624, -20.782) ( 0.00, 0.00, 0.00) 251: 2 ( 0.015, -0.021, -0.013) ( 0.016, -0.015, -0.011) ( 0.00, 0.01, 0.00) 251: bond ( 0.188, -1.235, -0.576) ( 0.188, -1.229, -0.574) ( 0.00, 0.51, 0.08) 251: angle ( 2.833, -2.246, 5.734) ( 2.833, -2.246, 5.734) ( 0.02, 0.01, 0.01) 251: strbnd ( 0.058, -0.206, 0.531) ( 0.058, -0.206, 0.531) ( 0.00, 0.00, 0.00) 251: torsion ( -0.582, -0.145, 0.120) ( -0.582, -0.145, 0.120) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -2.490, -0.763, -6.600) ( -2.490, -0.763, -6.600) ( 0.00, 0.00, 0.00) 251: electro ( 0.009, 4.575, 0.778) ( 0.009, 4.575, 0.778) ( 0.00, 0.00, 0.00) 251: 3 ( -0.083, 0.019, -0.119) ( -0.123, 0.094, -0.069) ( 0.34, 0.14, 0.60) 251: bond ( -1.055, 0.134, -1.295) ( -1.051, 0.134, -1.289) ( 0.35, 0.00, 0.43) 251: angle ( -0.395, -0.549, 0.265) ( -0.395, -0.548, 0.265) ( 0.02, 0.03, 0.01) 251: strbnd ( -4.612, 1.446, -7.083) ( -4.612, 1.446, -7.083) ( 0.00, 0.00, 0.00) 251: torsion ( -0.187, 0.312, 0.185) ( -0.187, 0.312, 0.185) ( 0.00, 0.00, 0.00) 251: oop ( 0.225, -0.371, -0.222) ( 0.180, -0.296, -0.178) ( 1.01, 2.75, 0.99) 251: vdw ( -0.123, 0.138, -0.190) ( -0.123, 0.138, -0.190) ( 0.00, 0.00, 0.00) 251: electro ( 6.064, -1.092, 8.221) ( 6.064, -1.092, 8.221) ( 0.00, 0.00, 0.00) 251: 4 ( -0.072, -0.017, -0.030) ( -0.094, 0.028, -0.000) ( 0.16, 0.08, 0.09) 251: bond ( -0.836, -8.517, 13.382) ( -0.832, -8.516, 13.384) ( 0.33, 0.01, 0.02) 251: angle ( 7.130, 8.296, -11.537) ( 7.131, 8.297, -11.535) ( 0.00, 0.01, 0.01) 251: strbnd ( -2.982, -0.215, -2.921) ( -2.982, -0.215, -2.921) ( 0.00, 0.00, 0.01) 251: torsion ( 0.423, 0.846, -0.211) ( 0.423, 0.846, -0.211) ( 0.00, 0.01, 0.00) 251: oop ( 0.186, -0.302, -0.180) ( 0.159, -0.259, -0.154) ( 0.49, 1.29, 0.46) 251: vdw ( -2.535, 5.528, -3.997) ( -2.535, 5.528, -3.997) ( 0.00, 0.00, 0.00) 251: electro ( -1.458, -5.655, 5.433) ( -1.458, -5.655, 5.433) ( 0.00, 0.00, 0.00) 251: 5 ( 0.010, 0.036, -0.046) ( -0.018, 0.093, -0.011) ( 0.03, 0.20, 0.16) 251: bond ( -5.684, 0.935, 3.018) ( -5.681, 0.938, 3.021) ( 0.04, 0.31, 0.10) 251: angle ( 19.037, 0.921, 3.045) ( 19.039, 0.921, 3.046) ( 0.01, 0.05, 0.03) 251: strbnd ( -4.528, 0.738, 3.763) ( -4.528, 0.738, 3.763) ( 0.01, 0.01, 0.00) 251: torsion ( 0.060, 0.659, 0.624) ( 0.060, 0.659, 0.624) ( 0.00, 0.00, 0.00) 251: oop ( 0.189, -0.311, -0.184) ( 0.157, -0.258, -0.153) ( 0.60, 1.64, 0.57) 251: vdw (-16.349, -10.170, -11.577) (-16.349, -10.170, -11.576) ( 0.00, 0.00, 0.00) 251: electro ( 7.284, 7.264, 1.264) ( 7.284, 7.264, 1.264) ( 0.00, 0.00, 0.00) 251: 6 ( -0.067, 0.088, 0.083) ( -0.052, 0.101, 0.090) ( 0.10, 0.11, 0.06) 251: bond ( -0.701, -2.222, 11.603) ( -0.699, -2.218, 11.607) ( 0.11, 0.18, 0.03) 251: angle ( -0.364, -2.925, 13.817) ( -0.363, -2.923, 13.819) ( 0.02, 0.05, 0.01) 251: strbnd ( 0.639, 2.955, -12.934) ( 0.639, 2.955, -12.935) ( 0.00, 0.00, 0.00) 250: torsion ( 0.044, 1.140, 6.540) ( 0.044, 1.140, 6.541) ( 0.00, 0.01, 0.02) 250: oop ( -0.012, 0.131, 2.561) ( -0.015, 0.116, 2.037) ( 0.00, 0.19, 20.47) 250: vdw ( 2.802, 0.309, -0.945) ( 2.802, 0.309, -0.945) ( 0.00, 0.00, 0.00) 250: electro ( 0.213, -0.266, -0.210) ( 0.213, -0.266, -0.210) ( 0.00, 0.00, 0.00) 250: 7 ( 12.679, 86.994, -19.032) ( 12.700, 86.952, -19.301) ( 0.17, 0.05, 1.42) 250: bond ( -5.030, 48.598, -6.009) ( -5.023, 48.605, -6.009) ( 0.14, 0.01, 0.00) 250: angle ( 20.610, 38.351, -5.278) ( 20.612, 38.353, -5.277) ( 0.01, 0.01, 0.00) 250: strbnd ( -7.020, 1.621, -1.168) ( -7.021, 1.621, -1.168) ( 0.02, 0.02, 0.01) 250: torsion ( 0.098, -1.110, -6.501) ( 0.098, -1.110, -6.500) ( 0.00, 0.00, 0.01) 250: oop ( 0.002, 0.211, 1.179) ( 0.015, 0.160, 0.909) ( 0.00, 1.08, 22.95) 250: vdw ( 4.021, -0.905, -1.238) ( 4.021, -0.905, -1.238) ( 0.00, 0.00, 0.00) 250: electro ( -0.002, 0.227, -0.017) ( -0.002, 0.227, -0.017) ( 0.00, 0.00, 0.00) 250: 8 ( -0.374, -32.479, 6.496) ( -0.364, -32.472, 6.450) ( 0.39, 0.02, 0.71) 250: bond ( 17.320, -9.193, 0.193) ( 17.327, -9.187, 0.193) ( 0.04, 0.07, 0.00) 250: angle (-21.343, -31.556, 3.930) (-21.342, -31.553, 3.930) ( 0.01, 0.01, 0.00) 250: strbnd ( 3.117, 8.773, -0.540) ( 3.116, 8.771, -0.540) ( 0.03, 0.01, 0.00) 250: torsion ( 0.062, 0.254, 3.026) ( 0.062, 0.254, 3.027) ( 0.00, 0.00, 0.04) 250: oop ( -0.019, -0.027, -0.085) ( -0.016, -0.028, -0.132) ( 0.00, 0.00, 0.40) 250: vdw ( 0.599, 0.238, -0.003) ( 0.599, 0.238, -0.003) ( 0.00, 0.00, 0.00) 250: electro ( -0.111, -0.968, -0.025) ( -0.111, -0.968, -0.025) ( 0.00, 0.00, 0.00) 250: 9 ( 44.803, 3.914, 2.819) ( 44.806, 3.913, 2.731) ( 0.01, 0.03, 3.12) 250: bond ( 27.504, 4.642, -1.536) ( 27.511, 4.648, -1.536) ( 0.02, 0.14, 0.00) 250: angle ( 15.991, 5.308, -0.805) ( 15.993, 5.309, -0.804) ( 0.01, 0.04, 0.01) 250: strbnd ( -0.547, -8.870, 0.817) ( -0.547, -8.870, 0.817) ( 0.03, 0.01, 0.00) 250: torsion ( 0.167, 0.437, 4.249) ( 0.167, 0.437, 4.250) ( 0.00, 0.00, 0.03) 250: oop ( 0.027, 0.073, 0.647) ( 0.022, 0.064, 0.558) ( 0.01, 0.07, 5.77) 250: vdw ( 1.899, 1.622, -0.325) ( 1.899, 1.622, -0.325) ( 0.00, 0.00, 0.00) 250: electro ( -0.238, 0.703, -0.227) ( -0.238, 0.703, -0.227) ( 0.00, 0.00, 0.00) 250: 10 (-30.928, -25.769, -2.929) (-30.914, -25.703, -2.397) ( 0.04, 0.25, 18.16) 250: bond (-33.338, -10.219, 2.044) (-33.333, -10.213, 2.044) ( 0.02, 0.06, 0.00) 250: angle ( 5.728, -6.663, 4.844) ( 5.730, -6.662, 4.844) ( 0.04, 0.03, 0.01) 250: strbnd ( -5.454, -7.832, 0.921) ( -5.455, -7.833, 0.921) ( 0.01, 0.01, 0.00) 250: torsion ( -0.215, -0.970, -8.075) ( -0.215, -0.970, -8.074) ( 0.00, 0.00, 0.01) 250: oop ( -0.036, -0.302, -2.716) ( -0.029, -0.244, -2.185) ( 0.02, 1.75, 19.54) 250: vdw ( 2.593, -1.118, 0.786) ( 2.593, -1.118, 0.786) ( 0.00, 0.00, 0.00) 250: electro ( -0.206, 1.335, -0.734) ( -0.206, 1.335, -0.734) ( 0.00, 0.00, 0.00) 250: 11 (-26.673, -22.301, 4.179) (-26.670, -22.313, 4.011) ( 0.01, 0.05, 4.01) 250: bond ( -1.917, -0.727, -0.074) ( -1.913, -0.722, -0.070) ( 0.20, 0.32, 0.03) 250: angle (-29.136, -26.052, 2.735) (-29.134, -26.050, 2.736) ( 0.01, 0.01, 0.05) 250: strbnd ( 4.010, 7.688, -1.200) ( 4.009, 7.687, -1.200) ( 0.01, 0.02, 0.04) 250: torsion ( 0.015, 0.059, 0.642) ( 0.015, 0.059, 0.642) ( 0.00, 0.00, 0.01) 250: oop ( 0.009, 0.064, 0.656) ( 0.007, 0.046, 0.483) ( 0.00, 0.11, 11.35) 250: vdw ( 0.354, -2.969, 0.608) ( 0.354, -2.969, 0.608) ( 0.00, 0.00, 0.00) 250: electro ( -0.008, -0.365, 0.812) ( -0.008, -0.365, 0.812) ( 0.00, 0.00, 0.00) 250: 12 ( -2.353, 3.616, -2.204) ( -2.349, 3.623, -2.134) ( 0.16, 0.19, 3.21) 248: torsion ( -0.007, -0.022, -0.000) ( -0.006, -0.021, 0.000) ( 0.00, 0.00, 0.00) 248: oop ( -0.005, -0.010, -0.000) ( -0.005, -0.011, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 11.821, 8.908, -0.000) ( 11.821, 8.908, -0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 35 (-52.215, 38.542, -47.306) (-52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) 248: bond (-35.755, 12.130, -26.884) (-35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) 248: angle ( 0.012, 0.005, -0.081) ( 0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) 248: strbnd (-20.001, 12.412, -17.160) (-20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) 248: torsion ( -0.020, -0.017, -0.014) ( -0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, -0.006, -0.002) ( -0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 3.556, 14.019, -3.165) ( 3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 36 (-52.215, 38.542, 47.292) (-52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) 248: bond (-35.755, 12.130, 26.876) (-35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) 248: angle ( 0.012, 0.005, 0.078) ( 0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) 248: strbnd (-20.001, 12.412, 17.157) (-20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) 248: torsion ( -0.020, -0.017, 0.014) ( -0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, -0.006, 0.002) ( -0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 3.556, 14.019, 3.164) ( 3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 37 (-37.613, -0.007, 70.694) (-37.611, -0.000, 70.701) ( 0.01, 0.00, 0.01) 248: bond (-31.161, -0.003, 34.123) (-31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) 248: angle ( -0.051, -0.002, 0.021) ( -0.051, -0.000, 0.022) ( 0.00, 0.00, 0.00) 248: strbnd (-15.277, -0.001, 24.741) (-15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) 248: torsion ( -0.022, -0.000, -0.007) ( -0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) 248: oop ( -0.010, -0.000, -0.005) ( -0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 8.908, -0.000, 11.821) ( 8.908, -0.000, 11.821) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 38 (-52.215, -38.554, -47.306) (-52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) 248: bond (-35.755, -12.136, -26.884) (-35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) 248: angle ( 0.012, -0.007, -0.081) ( 0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) 248: strbnd (-20.001, -12.414, -17.160) (-20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) 248: torsion ( -0.020, 0.017, -0.014) ( -0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, 0.005, -0.002) ( -0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 3.556, -14.019, -3.165) ( 3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 39 (-52.215, -38.554, 47.292) (-52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) 248: bond (-35.755, -12.136, 26.876) (-35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) 248: angle ( 0.012, -0.007, 0.078) ( 0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) 248: strbnd (-20.001, -12.414, 17.157) (-20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) 248: torsion ( -0.020, 0.017, 0.014) ( -0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) 248: oop ( -0.006, 0.005, 0.002) ( -0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 3.556, -14.019, 3.164) ( 3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: bond ( -1.203, -0.681, 0.064) ( -1.200, -0.680, 0.064) ( 0.25, 0.07, 0.00) 250: angle ( -3.337, 5.858, -0.289) ( -3.337, 5.858, -0.289) ( 0.00, 0.01, 0.00) 250: strbnd ( 0.884, -1.534, 0.070) ( 0.884, -1.534, 0.070) ( 0.00, 0.00, 0.00) 250: torsion ( -0.026, -0.127, -1.856) ( -0.026, -0.127, -1.856) ( 0.00, 0.00, 0.02) 250: oop ( -0.003, -0.017, -0.242) ( -0.002, -0.012, -0.171) ( 0.00, 0.01, 1.70) 250: vdw ( 0.644, 0.265, -0.021) ( 0.644, 0.265, -0.021) ( 0.00, 0.00, 0.00) 250: electro ( 0.688, -0.147, 0.070) ( 0.688, -0.147, 0.070) ( 0.00, 0.00, 0.00) 250: 13 ( -2.636, -4.315, -0.527) ( -2.633, -4.310, -0.502) ( 0.12, 0.11, 1.28) 250: bond ( -1.376, 1.267, -0.103) ( -1.374, 1.269, -0.103) ( 0.15, 0.14, 0.00) 250: angle ( -4.815, -5.170, 0.545) ( -4.815, -5.170, 0.545) ( 0.01, 0.01, 0.00) 250: strbnd ( 1.880, 0.883, -0.174) ( 1.880, 0.883, -0.174) ( 0.00, 0.00, 0.00) 250: torsion ( -0.019, -0.089, -0.837) ( -0.019, -0.089, -0.837) ( 0.00, 0.00, 0.03) 250: oop ( -0.002, -0.010, -0.098) ( -0.002, -0.008, -0.074) ( 0.00, 0.00, 0.23) 250: vdw ( 1.159, -0.292, -0.017) ( 1.159, -0.292, -0.017) ( 0.00, 0.00, 0.00) 250: electro ( 0.537, -0.904, 0.158) ( 0.537, -0.904, 0.158) ( 0.00, 0.00, 0.00) 250: 14 ( 26.387, 19.947, 15.099) ( 26.412, 20.010, 15.009) ( 0.09, 0.32, 0.60) 250: bond ( 2.000, 0.807, 0.393) ( 2.004, 0.812, 0.397) ( 0.19, 0.36, 0.17) 250: angle ( 29.017, 24.625, 15.667) ( 29.019, 24.627, 15.669) ( 0.01, 0.01, 0.01) 250: strbnd ( -3.684, -7.464, -4.429) ( -3.685, -7.465, -4.430) ( 0.02, 0.01, 0.02) 250: torsion ( -0.089, -0.284, 0.463) ( -0.089, -0.284, 0.463) ( 0.00, 0.00, 0.01) 250: oop ( -0.074, -0.220, 0.362) ( -0.055, -0.162, 0.267) ( 0.14, 1.28, 3.46) 250: vdw ( -0.663, 2.502, 1.775) ( -0.663, 2.502, 1.775) ( 0.00, 0.00, 0.00) 250: electro ( -0.120, -0.020, 0.867) ( -0.120, -0.020, 0.867) ( 0.00, 0.00, 0.00) 250: 15 ( 2.734, -4.218, -1.241) ( 2.755, -4.158, -1.336) ( 0.79, 1.41, 7.69) 250: bond ( 1.169, 0.545, 0.557) ( 1.172, 0.545, 0.558) ( 0.23, 0.03, 0.03) 250: angle ( 3.953, -5.603, -2.827) ( 3.953, -5.602, -2.827) ( 0.00, 0.01, 0.00) 250: strbnd ( -0.998, 1.310, 0.666) ( -0.998, 1.310, 0.666) ( 0.00, 0.00, 0.00) 250: torsion ( -0.049, -0.169, 0.268) ( -0.049, -0.169, 0.269) ( 0.00, 0.00, 0.01) 250: oop ( -0.064, -0.204, 0.334) ( -0.045, -0.145, 0.237) ( 0.12, 1.19, 3.22) 250: vdw ( -0.604, -0.224, -0.242) ( -0.604, -0.224, -0.242) ( 0.00, 0.00, 0.00) 250: electro ( -0.672, 0.127, 0.003) ( -0.672, 0.127, 0.003) ( 0.00, 0.00, 0.00) 250: 16 ( 2.391, 3.742, 2.202) ( 2.389, 3.731, 2.224) ( 0.08, 0.30, 0.99) 250: bond ( 1.377, -1.119, -0.400) ( 1.379, -1.118, -0.400) ( 0.16, 0.13, 0.01) 250: angle ( 4.447, 4.280, 3.375) ( 4.447, 4.280, 3.375) ( 0.01, 0.01, 0.01) 250: strbnd ( -1.774, -0.686, -0.825) ( -1.774, -0.686, -0.825) ( 0.00, 0.00, 0.00) 250: torsion ( 0.054, 0.148, -0.229) ( 0.054, 0.148, -0.229) ( 0.00, 0.00, 0.01) 250: oop ( 0.018, 0.053, -0.087) ( 0.013, 0.040, -0.065) ( 0.01, 0.07, 0.18) 250: vdw ( -1.150, 0.297, -0.072) ( -1.149, 0.297, -0.072) ( 0.00, 0.00, 0.00) 250: electro ( -0.582, 0.770, 0.440) ( -0.582, 0.770, 0.440) ( 0.00, 0.00, 0.00) 250: 17 ( 12.700, 29.735, 18.160) ( 12.714, 29.776, 18.099) ( 0.11, 0.14, 0.34) 250: bond ( -3.169, 26.110, 15.008) ( -3.169, 26.113, 15.009) ( 0.01, 0.01, 0.01) 250: angle ( 14.067, 0.347, 2.366) ( 14.068, 0.347, 2.366) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.226, 2.694, 1.435) ( -0.226, 2.694, 1.435) ( 0.00, 0.00, 0.00) 250: torsion ( 0.187, 0.538, -0.897) ( 0.187, 0.538, -0.897) ( 0.00, 0.00, 0.01) 250: oop ( -0.055, -0.172, 0.287) ( -0.042, -0.134, 0.224) ( 0.07, 0.65, 1.81) 251: torsion ( 2.329, 1.562, 0.380) ( 2.330, 1.562, 0.380) ( 0.03, 0.02, 0.00) 251: oop ( -0.074, -0.043, -0.014) ( -0.062, -0.036, -0.012) ( 0.09, 0.03, 0.00) 251: vdw ( -1.895, 0.720, -12.746) ( -1.895, 0.720, -12.746) ( 0.00, 0.00, 0.00) 251: electro ( -0.002, 0.041, -0.023) ( -0.002, 0.041, -0.023) ( 0.00, 0.00, 0.00) 251: 7 ( 0.013, -0.054, 0.044) ( 0.021, -0.046, 0.052) ( 0.01, 0.04, 0.03) 251: bond ( -7.170, 10.526, 6.570) ( -7.169, 10.530, 6.576) ( 0.02, 0.04, 0.08) 251: angle ( 2.588, -3.055, -4.852) ( 2.588, -3.053, -4.850) ( 0.02, 0.04, 0.03) 251: strbnd ( -1.496, 3.392, -2.547) ( -1.496, 3.392, -2.547) ( 0.00, 0.00, 0.01) 251: torsion ( -1.418, -0.816, -0.200) ( -1.417, -0.816, -0.200) ( 0.07, 0.03, 0.00) 251: oop ( -0.027, -0.014, -0.002) ( -0.022, -0.012, -0.002) ( 0.01, 0.00, 0.00) 251: vdw ( 6.692, -9.975, -2.511) ( 6.692, -9.975, -2.511) ( 0.00, 0.00, 0.01) 251: electro ( 0.844, -0.112, 3.586) ( 0.844, -0.112, 3.586) ( 0.00, 0.00, 0.00) 251: 8 ( -0.029, 0.068, -0.054) ( -0.019, 0.078, -0.046) ( 0.03, 0.07, 0.04) 251: bond ( -5.733, 10.916, -5.111) ( -5.731, 10.920, -5.106) ( 0.03, 0.04, 0.10) 251: angle ( -0.069, 0.148, -0.147) ( -0.069, 0.149, -0.145) ( 0.00, 0.02, 0.02) 251: strbnd ( 0.254, -0.317, -0.321) ( 0.254, -0.317, -0.321) ( 0.00, 0.00, 0.01) 251: torsion ( -0.506, -0.295, -0.082) ( -0.505, -0.294, -0.082) ( 0.05, 0.01, 0.00) 251: oop ( -0.039, -0.023, -0.006) ( -0.033, -0.019, -0.005) ( 0.03, 0.01, 0.00) 251: vdw ( 5.846, -11.080, 5.290) ( 5.846, -11.080, 5.290) ( 0.00, 0.00, 0.00) 251: electro ( 0.218, 0.720, 0.323) ( 0.218, 0.720, 0.323) ( 0.00, 0.00, 0.00) 251: 9 ( -0.014, 0.016, -0.063) ( 0.004, 0.030, -0.053) ( 0.02, 0.02, 0.06) 251: bond ( 0.583, 2.170, -13.287) ( 0.585, 2.174, -13.282) ( 0.09, 0.18, 0.04) 251: angle ( 0.007, -0.113, 0.340) ( 0.007, -0.112, 0.341) ( 0.00, 0.01, 0.06) 251: strbnd ( 0.032, -0.099, 0.170) ( 0.032, -0.099, 0.170) ( 0.00, 0.00, 0.00) 251: torsion ( -0.193, -0.115, -0.023) ( -0.192, -0.114, -0.023) ( 0.02, 0.00, 0.00) 251: oop ( -0.086, -0.051, -0.013) ( -0.072, -0.043, -0.011) ( 0.13, 0.04, 0.00) 251: vdw ( -0.816, -2.222, 14.046) ( -0.816, -2.222, 14.046) ( 0.00, 0.00, 0.00) 251: electro ( 0.459, 0.446, -1.294) ( 0.459, 0.446, -1.294) ( 0.00, 0.00, 0.00) 251: 10 ( 0.012, -0.026, 0.043) ( 0.023, -0.017, 0.051) ( 0.01, 0.03, 0.03) 251: bond ( 6.512, -8.973, -7.628) ( 6.514, -8.969, -7.623) ( 0.03, 0.05, 0.07) 251: angle ( 0.058, -0.079, -0.055) ( 0.058, -0.078, -0.054) ( 0.00, 0.01, 0.01) 251: strbnd ( -0.185, 0.392, -0.179) ( -0.185, 0.392, -0.179) ( 0.00, 0.00, 0.00) 251: torsion ( -0.572, -0.345, -0.095) ( -0.571, -0.345, -0.095) ( 0.05, 0.01, 0.00) 251: oop ( -0.040, -0.024, -0.007) ( -0.032, -0.020, -0.005) ( 0.03, 0.01, 0.00) 251: vdw ( -6.571, 9.136, 7.766) ( -6.571, 9.136, 7.766) ( 0.00, 0.00, 0.00) 251: electro ( 0.809, -0.133, 0.241) ( 0.809, -0.133, 0.241) ( 0.00, 0.00, 0.00) 251: 11 ( 0.067, -0.113, -0.076) ( 0.083, -0.099, -0.068) ( 0.11, 0.16, 0.06) 251: bond ( 6.849, -12.437, 4.398) ( 6.851, -12.433, 4.404) ( 0.02, 0.03, 0.12) 251: angle ( -2.678, 5.816, -4.951) ( -2.677, 5.818, -4.949) ( 0.02, 0.02, 0.03) 251: strbnd ( 2.697, -3.157, -4.284) ( 2.697, -3.158, -4.284) ( 0.00, 0.00, 0.00) 251: torsion ( -1.703, -1.064, -0.247) ( -1.702, -1.063, -0.247) ( 0.06, 0.03, 0.00) 251: oop ( -0.078, -0.050, -0.010) ( -0.065, -0.042, -0.009) ( 0.10, 0.04, 0.00) 251: vdw ( -5.728, 10.270, 1.476) ( -5.728, 10.270, 1.476) ( 0.00, 0.00, 0.01) 251: electro ( 0.708, 0.510, 3.541) ( 0.708, 0.510, 3.542) ( 0.00, 0.00, 0.00) 251: 12 ( 0.104, -0.040, 0.163) ( 0.215, -0.206, 0.071) ( 1.16, 0.66, 1.49) 248: 40 ( 23.900, -8.357, 75.919) ( 23.905, -8.353, 75.928) ( 0.02, 0.04, 0.01) 248: bond ( 7.487, -14.578, 43.256) ( 7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) 248: angle ( 0.026, -0.013, -0.077) ( 0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( 7.696, -4.671, 27.650) ( 7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) 248: torsion ( 0.018, 0.030, -0.018) ( 0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, 0.012, -0.004) ( 0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 8.667, 10.865, 5.113) ( 8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 41 (-54.913, -35.524, -24.139) (-54.905, -35.518, -24.134) ( 0.02, 0.02, 0.02) 248: bond (-26.884, -35.755, -12.136) (-26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) 248: angle ( 8.310, 2.328, 1.428) ( 8.312, 2.330, 1.429) ( 0.02, 0.05, 0.09) 248: strbnd (-33.157, -3.794, -2.400) (-33.157, -3.793, -2.399) ( 0.00, 0.02, 0.04) 248: torsion ( -0.015, -1.854, 2.983) ( -0.015, -1.853, 2.983) ( 0.00, 0.03, 0.01) 248: oop ( -0.002, -0.006, 0.005) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 248: vdw ( -3.165, 3.556, -14.019) ( -3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 42 ( 3.504, 53.443, 17.121) ( 3.509, 53.448, 17.126) ( 0.15, 0.01, 0.02) 248: bond (-12.452, 26.530, 26.356) (-12.448, 26.533, 26.357) ( 0.04, 0.01, 0.01) 248: angle ( -9.977, -5.385, -2.072) ( -9.975, -5.383, -2.071) ( 0.02, 0.04, 0.05) 248: strbnd ( 29.601, 21.773, 10.437) ( 29.601, 21.772, 10.438) ( 0.00, 0.00, 0.00) 248: torsion ( 1.442, 1.853, -6.723) ( 1.442, 1.853, -6.722) ( 0.02, 0.02, 0.01) 248: oop ( 0.004, 0.006, -0.012) ( 0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -5.113, 8.667, -10.865) ( -5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 43 ( 47.292, -52.215, -38.554) ( 47.297, -52.209, -38.549) ( 0.01, 0.01, 0.01) 248: bond ( 26.876, -35.755, -12.136) ( 26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) 248: angle ( 0.078, 0.012, -0.007) ( 0.079, 0.013, -0.006) ( 0.01, 0.00, 0.00) 248: strbnd ( 17.157, -20.001, -12.414) ( 17.159, -20.000, -12.413) ( 0.01, 0.00, 0.01) 248: torsion ( 0.014, -0.020, 0.017) ( 0.014, -0.019, 0.017) ( 0.00, 0.00, 0.00) 248: oop ( 0.002, -0.006, 0.005) ( 0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 248: vdw ( 3.164, 3.556, -14.019) ( 3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 44 ( 8.348, 75.919, -23.913) ( 8.353, 75.928, -23.905) ( 0.06, 0.01, 0.03) 248: bond ( 14.575, 43.256, -7.494) ( 14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) 248: angle ( 0.011, -0.077, -0.029) ( 0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( 4.670, 27.650, -7.698) ( 4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) 248: torsion ( -0.031, -0.018, -0.018) ( -0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.012, -0.004, -0.006) ( -0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) 248: vdw (-10.865, 5.113, -8.667) (-10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 45 ( -8.357, 75.919, -23.913) ( -8.353, 75.928, -23.905) ( 0.04, 0.01, 0.03) 248: bond (-14.578, 43.256, -7.494) (-14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) 248: angle ( -0.013, -0.077, -0.029) ( -0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( -4.671, 27.650, -7.698) ( -4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) 248: torsion ( 0.030, -0.018, -0.018) ( 0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) 16: OK 16: Testing gen3D(3): C1CC[C@@H]2[C@@H](C1)CCCC2 251: bond ( 13.123, 9.974, -3.258) ( 13.130, 9.977, -3.250) ( 0.05, 0.02, 0.25) 251: angle (-14.649, 0.422, 3.858) (-14.647, 0.423, 3.860) ( 0.02, 0.06, 0.05) 251: strbnd ( 6.144, 3.136, 1.986) ( 6.144, 3.135, 1.985) ( 0.01, 0.02, 0.05) 251: torsion ( 0.114, -1.966, -1.386) ( 0.114, -1.966, -1.386) ( 0.00, 0.01, 0.00) 251: oop ( -0.600, 0.982, 0.585) ( -0.496, 0.813, 0.485) ( 6.21, 16.58, 5.91) 251: vdw ( -6.672, 1.688, -4.514) ( -6.672, 1.688, -4.514) ( 0.00, 0.00, 0.00) 251: electro ( 2.643, -14.275, 2.893) ( 2.643, -14.275, 2.893) ( 0.00, 0.00, 0.00) 251: 13 ( 0.040, -0.004, 0.029) ( 0.046, 0.002, 0.035) ( 0.02, 0.00, 0.02) 251: bond ( -2.991, 1.047, -11.722) ( -2.987, 1.051, -11.718) ( 0.13, 0.39, 0.04) 251: angle ( -2.018, 2.285, 8.597) ( -2.016, 2.287, 8.599) ( 0.11, 0.09, 0.02) 251: strbnd ( 2.619, -2.990, 4.758) ( 2.618, -2.991, 4.758) ( 0.04, 0.03, 0.02) 251: torsion ( -0.041, -0.092, 0.175) ( -0.041, -0.092, 0.175) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 14.014, 8.530, 0.129) ( 14.014, 8.530, 0.129) ( 0.00, 0.00, 0.00) 251: electro (-11.542, -8.783, -1.908) (-11.542, -8.783, -1.908) ( 0.00, 0.00, 0.00) 251: 14 ( 0.024, -0.010, 0.034) ( 0.029, -0.005, 0.040) ( 0.01, 0.00, 0.02) 251: bond ( -4.655, 3.822, -2.177) ( -4.651, 3.826, -2.172) ( 0.08, 0.10, 0.21) 251: angle ( -4.059, -1.702, -4.245) ( -4.057, -1.700, -4.243) ( 0.05, 0.12, 0.05) 251: strbnd ( 2.089, 1.563, 0.776) ( 2.088, 1.562, 0.776) ( 0.05, 0.07, 0.03) 251: torsion ( 0.938, 1.048, 1.864) ( 0.938, 1.048, 1.864) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 3.794, -3.935, 2.717) ( 3.794, -3.935, 2.717) ( 0.00, 0.00, 0.00) 251: electro ( 1.918, -0.806, 1.098) ( 1.918, -0.806, 1.098) ( 0.00, 0.00, 0.00) 251: 15 ( -0.042, -0.017, 0.014) ( -0.037, -0.011, 0.020) ( 0.02, 0.01, 0.01) 251: bond ( -6.167, -3.752, 0.389) ( -6.163, -3.748, 0.393) ( 0.07, 0.11, 0.18) 251: angle ( 3.378, 1.344, -4.652) ( 3.380, 1.345, -4.650) ( 0.06, 0.14, 0.04) 251: strbnd ( 0.915, 0.369, -0.380) ( 0.914, 0.369, -0.380) ( 0.08, 0.02, 0.02) 251: torsion ( 1.467, -0.659, 4.905) ( 1.467, -0.659, 4.905) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.366, 2.682, -0.248) ( 0.366, 2.682, -0.248) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 16 ( 0.001, -0.001, -0.009) ( -0.007, -0.004, -0.008) ( 0.00, 0.00, 0.00) 251: bond ( -1.392, 1.999, 1.715) ( -1.392, 2.000, 1.716) ( 0.06, 0.08, 0.07) 251: angle ( -0.390, 1.079, -1.575) ( -0.390, 1.079, -1.575) ( 0.00, 0.02, 0.03) 251: strbnd ( 0.199, -0.272, -0.384) ( 0.199, -0.272, -0.384) ( 0.00, 0.00, 0.00) 251: torsion ( 0.947, 0.545, 0.133) ( 0.948, 0.545, 0.133) ( 0.02, 0.00, 0.00) 251: oop ( 0.050, 0.029, 0.007) ( 0.041, 0.024, 0.006) ( 0.04, 0.01, 0.00) 251: vdw ( 1.566, -2.362, 2.661) ( 1.566, -2.362, 2.662) ( 0.00, 0.00, 0.00) 251: electro ( -0.979, -1.018, -2.566) ( -0.979, -1.018, -2.566) ( 0.00, 0.00, 0.00) 251: 17 ( 0.013, -0.037, 0.011) ( 0.006, -0.039, 0.010) ( 0.01, 0.01, 0.00) 251: bond ( -1.079, 2.138, -1.059) ( -1.078, 2.140, -1.059) ( 0.06, 0.12, 0.06) 251: angle ( 0.033, -0.019, -0.072) ( 0.033, -0.019, -0.072) ( 0.00, 0.00, 0.00) 251: strbnd ( 0.329, -0.679, 0.351) ( 0.329, -0.679, 0.351) ( 0.00, 0.00, 0.00) 251: torsion ( 0.254, 0.148, 0.041) ( 0.254, 0.148, 0.041) ( 0.01, 0.00, 0.00) 251: oop ( 0.051, 0.029, 0.008) ( 0.042, 0.025, 0.007) ( 0.04, 0.01, 0.00) 250: vdw ( -0.563, -0.467, -0.562) ( -0.563, -0.467, -0.562) ( 0.00, 0.00, 0.00) 250: electro ( 2.460, 0.686, 0.523) ( 2.460, 0.686, 0.523) ( 0.00, 0.00, 0.00) 250: 18 (-16.599, -32.980, 10.375) (-16.606, -32.943, 10.559) ( 0.04, 0.11, 1.78) 250: bond ( 1.321, -29.709, 5.246) ( 1.321, -29.705, 5.247) ( 0.01, 0.01, 0.01) 250: angle (-16.050, -0.489, 1.274) (-16.050, -0.489, 1.274) ( 0.01, 0.00, 0.00) 250: strbnd ( 0.072, -3.233, 0.861) ( 0.072, -3.233, 0.861) ( 0.00, 0.00, 0.00) 250: torsion ( -0.052, 0.751, 4.265) ( -0.052, 0.751, 4.266) ( 0.00, 0.00, 0.00) 250: oop ( 0.009, -0.150, -0.851) ( 0.001, -0.118, -0.667) ( 0.01, 0.48, 15.66) 250: vdw ( 0.603, 0.572, -0.221) ( 0.603, 0.572, -0.221) ( 0.00, 0.00, 0.00) 250: electro ( -2.501, -0.722, -0.200) ( -2.501, -0.722, -0.200) ( 0.00, 0.00, 0.00) 250: 19 ( -9.549, -16.055, -9.499) ( -9.547, -16.054, -9.498) ( 0.02, 0.01, 0.01) 250: bond ( 6.549, -6.489, -5.236) ( 6.550, -6.488, -5.235) ( 0.02, 0.02, 0.02) 250: angle (-15.891, -11.333, -5.837) (-15.890, -11.333, -5.837) ( 0.00, 0.00, 0.01) 250: strbnd ( -1.046, 0.503, 0.436) ( -1.046, 0.503, 0.436) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.839, 1.264, 1.139) ( 0.839, 1.264, 1.139) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( -6.872, -6.628, -8.449) ( -6.870, -6.627, -8.448) ( 0.02, 0.01, 0.02) 250: bond ( -7.287, 3.445, -8.054) ( -7.286, 3.445, -8.052) ( 0.02, 0.01, 0.02) 250: angle ( -1.156, -10.327, -3.372) ( -1.156, -10.326, -3.372) ( 0.02, 0.01, 0.01) 250: strbnd ( 1.415, -1.060, 1.430) ( 1.415, -1.060, 1.430) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.156, 1.313, 1.547) ( 0.156, 1.313, 1.547) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 21 ( -5.154, -11.419, -3.897) ( -5.153, -11.418, -3.895) ( 0.02, 0.01, 0.04) 250: bond ( -5.951, -7.142, 6.246) ( -5.950, -7.141, 6.247) ( 0.02, 0.02, 0.02) 250: angle ( -0.744, -6.990, -8.698) ( -0.743, -6.990, -8.698) ( 0.02, 0.00, 0.01) 250: strbnd ( 1.377, 1.441, -1.809) ( 1.377, 1.441, -1.809) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.163, 1.273, 0.365) ( 0.163, 1.273, 0.365) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 ( 6.707, 14.950, -4.095) ( 6.709, 14.951, -4.094) ( 0.04, 0.00, 0.03) 250: bond ( 10.180, 0.038, -5.182) ( 10.183, 0.038, -5.181) ( 0.02, 0.00, 0.01) 250: angle ( -0.643, 16.864, -1.139) ( -0.642, 16.864, -1.139) ( 0.01, 0.00, 0.03) 250: strbnd ( -2.565, 0.430, 1.327) ( -2.565, 0.430, 1.327) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.266, -2.382, 0.899) ( -0.266, -2.382, 0.899) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( 7.712, 7.044, 4.929) ( 7.712, 7.045, 4.931) ( 0.01, 0.01, 0.05) 250: bond ( 2.115, 4.636, 9.930) ( 2.115, 4.637, 9.932) ( 0.01, 0.01, 0.02) 250: angle ( 6.274, 3.725, -3.075) ( 6.274, 3.725, -3.075) ( 0.01, 0.01, 0.00) 250: strbnd ( -0.199, -0.342, -1.642) ( -0.199, -0.342, -1.642) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.477, -0.975, -0.284) ( -0.477, -0.975, -0.284) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( 10.798, 13.827, -7.791) ( 10.799, 13.829, -7.790) ( 0.01, 0.01, 0.02) 250: bond ( -5.076, 7.231, -5.839) ( -5.075, 7.232, -5.838) ( 0.01, 0.02, 0.02) 250: angle ( 15.920, 8.574, -3.218) ( 15.920, 8.575, -3.218) ( 0.00, 0.00, 0.01) 250: strbnd ( 0.876, -0.556, 0.755) ( 0.876, -0.556, 0.755) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.922, -1.422, 0.511) ( -0.922, -1.422, 0.511) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 16 # gradients 250: ok 17 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 248: oop ( 0.012, -0.004, -0.006) ( 0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 10.865, 5.113, -8.667) ( 10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 46 ( 8.348, -75.934, -23.913) ( 8.353, -75.928, -23.905) ( 0.06, 0.01, 0.03) 248: bond ( 14.575, -43.264, -7.494) ( 14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) 248: angle ( 0.011, 0.075, -0.029) ( 0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( 4.670, -27.652, -7.698) ( 4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) 248: torsion ( -0.031, 0.017, -0.018) ( -0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( -0.012, 0.004, -0.006) ( -0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) 248: vdw (-10.865, -5.113, -8.667) (-10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 47 (-38.554, -47.306, 52.205) (-38.549, -47.297, 52.209) ( 0.01, 0.02, 0.01) 248: bond (-12.136, -26.884, 35.751) (-12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) 248: angle ( -0.007, -0.081, -0.014) ( -0.006, -0.079, -0.013) ( 0.00, 0.01, 0.00) 248: strbnd (-12.414, -17.160, 20.000) (-12.413, -17.159, 20.000) ( 0.01, 0.01, 0.00) 248: torsion ( 0.017, -0.014, 0.019) ( 0.017, -0.014, 0.019) ( 0.00, 0.00, 0.00) 248: oop ( 0.005, -0.002, 0.006) ( 0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) 248: vdw (-14.019, -3.165, -3.556) (-14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 48 (-37.613, -0.007, -70.710) (-37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) 248: bond (-31.161, -0.003, -34.133) (-31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) 248: angle ( -0.051, -0.002, -0.024) ( -0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) 248: strbnd (-15.277, -0.001, -24.743) (-15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) 248: torsion ( -0.022, -0.000, 0.006) ( -0.021, 0.000, 0.006) ( 0.00, 0.00, 0.00) 248: oop ( -0.010, -0.000, 0.005) ( -0.011, 0.000, 0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 8.908, -0.000, -11.821) ( 8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 49 ( 23.900, 8.348, 75.919) ( 23.905, 8.353, 75.928) ( 0.02, 0.06, 0.01) 248: bond ( 7.487, 14.575, 43.256) ( 7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) 248: angle ( 0.026, 0.011, -0.077) ( 0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) 248: strbnd ( 7.696, 4.670, 27.650) ( 7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) 248: torsion ( 0.018, -0.031, -0.018) ( 0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.006, -0.012, -0.004) ( 0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 8.667, -10.865, 5.113) ( 8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 50 (-54.913, 35.514, -24.139) (-54.905, 35.518, -24.134) ( 0.02, 0.01, 0.02) 248: bond (-26.884, 35.751, -12.136) (-26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) 248: angle ( 8.310, -2.331, 1.428) ( 8.312, -2.330, 1.429) ( 0.02, 0.05, 0.09) 248: strbnd (-33.157, 3.792, -2.400) (-33.157, 3.793, -2.399) ( 0.00, 0.02, 0.04) 248: torsion ( -0.015, 1.852, 2.983) ( -0.015, 1.853, 2.983) ( 0.00, 0.03, 0.01) 248: oop ( -0.002, 0.006, 0.005) ( -0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) 248: vdw ( -3.165, -3.556, -14.019) ( -3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 51 ( -8.357, -75.934, -23.913) ( -8.353, -75.928, -23.905) ( 0.04, 0.01, 0.03) 248: bond (-14.578, -43.264, -7.494) (-14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) 28: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr 251: vdw ( 0.321, -0.617, 0.307) ( 0.321, -0.617, 0.307) ( 0.00, 0.00, 0.00) 251: electro ( 0.104, -1.037, 0.435) ( 0.104, -1.037, 0.435) ( 0.00, 0.00, 0.00) 251: 18 ( -0.002, -0.001, 0.010) ( -0.012, -0.006, 0.011) ( 0.00, 0.00, 0.00) 251: bond ( 0.172, 0.436, -2.694) ( 0.172, 0.436, -2.691) ( 0.00, 0.00, 0.13) 251: angle ( 0.012, 0.006, 0.002) ( 0.012, 0.006, 0.002) ( 0.00, 0.00, 0.00) 251: strbnd ( -0.076, -0.152, 0.941) ( -0.076, -0.152, 0.941) ( 0.00, 0.00, 0.00) 251: torsion ( 0.138, 0.082, 0.022) ( 0.138, 0.082, 0.022) ( 0.00, 0.00, 0.00) 251: oop ( 0.066, 0.040, 0.011) ( 0.055, 0.033, 0.009) ( 0.07, 0.03, 0.00) 251: vdw ( -0.039, -0.117, 0.755) ( -0.039, -0.117, 0.755) ( 0.00, 0.00, 0.00) 251: electro ( -0.275, -0.295, 0.974) ( -0.275, -0.295, 0.974) ( 0.00, 0.00, 0.00) 251: 19 ( -0.010, 0.002, 0.007) ( -0.018, -0.002, 0.007) ( 0.01, 0.00, 0.00) 251: bond ( 1.319, -1.740, -1.572) ( 1.320, -1.739, -1.570) ( 0.07, 0.09, 0.08) 251: angle ( -0.010, 0.055, -0.071) ( -0.010, 0.056, -0.070) ( 0.00, 0.00, 0.00) 251: strbnd ( -0.440, 0.556, 0.528) ( -0.440, 0.556, 0.528) ( 0.00, 0.00, 0.00) 251: torsion ( 0.286, 0.174, 0.048) ( 0.286, 0.174, 0.048) ( 0.01, 0.00, 0.00) 251: oop ( 0.057, 0.035, 0.009) ( 0.048, 0.029, 0.008) ( 0.05, 0.02, 0.00) 251: vdw ( -0.364, 0.499, 0.452) ( -0.364, 0.499, 0.452) ( 0.00, 0.00, 0.00) 251: electro ( -0.858, 0.422, 0.612) ( -0.858, 0.422, 0.612) ( 0.00, 0.00, 0.00) 251: 20 ( -0.011, 0.019, -0.003) ( -0.022, 0.014, -0.004) ( 0.01, 0.01, 0.00) 251: bond ( 1.065, -1.923, 0.931) ( 1.066, -1.921, 0.932) ( 0.07, 0.13, 0.05) 251: angle ( 0.816, -0.719, -2.417) ( 0.816, -0.719, -2.416) ( 0.01, 0.00, 0.02) 251: strbnd ( -0.179, 0.321, -0.263) ( -0.179, 0.321, -0.263) ( 0.00, 0.00, 0.00) 251: torsion ( 1.157, 0.723, 0.167) ( 1.157, 0.723, 0.167) ( 0.02, 0.01, 0.00) 251: oop ( 0.072, 0.045, 0.011) ( 0.060, 0.037, 0.009) ( 0.09, 0.03, 0.00) 251: vdw ( -1.141, 1.967, 4.393) ( -1.141, 1.967, 4.393) ( 0.00, 0.00, 0.00) 251: electro ( -1.800, -0.394, -2.826) ( -1.800, -0.394, -2.826) ( 0.00, 0.00, 0.00) 251: 21 ( -0.002, -0.005, -0.023) ( -0.001, -0.004, -0.021) ( 0.00, 0.00, 0.01) 251: bond ( 1.444, -1.170, -2.502) ( 1.445, -1.169, -2.500) ( 0.05, 0.04, 0.09) 251: angle ( -2.245, -3.938, 0.544) ( -2.244, -3.937, 0.544) ( 0.02, 0.01, 0.01) 251: strbnd ( -0.862, 0.401, -0.476) ( -0.862, 0.401, -0.476) ( 0.00, 0.00, 0.00) 251: torsion ( -1.116, -0.117, -0.590) ( -1.116, -0.117, -0.590) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.776, 4.819, 3.001) ( 2.776, 4.819, 3.001) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 22 ( -0.015, 0.012, -0.030) ( -0.014, 0.013, -0.028) ( 0.00, 0.00, 0.01) 251: bond ( 0.154, -0.044, 0.213) ( 0.155, -0.044, 0.215) ( 0.02, 0.00, 0.05) 251: angle ( -3.150, 0.346, 2.340) ( -3.150, 0.346, 2.340) ( 0.01, 0.02, 0.01) 251: strbnd ( -1.019, 0.402, -1.027) ( -1.019, 0.402, -1.027) ( 0.00, 0.00, 0.00) 251: torsion ( 1.025, -0.593, -0.859) ( 1.025, -0.593, -0.859) ( 0.00, 0.00, 0.00) 251: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.975, -0.099, -0.696) ( 2.975, -0.099, -0.696) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 23 ( -0.002, -0.007, -0.010) ( -0.000, -0.006, -0.007) ( 0.00, 0.00, 0.00) 251: bond ( -0.844, 0.674, 1.498) ( -0.843, 0.674, 1.500) ( 0.06, 0.03, 0.15) 16: OK 246/333 Test #16: test_gen3d_6 ........................................................................................ Passed 771.70 sec test 252 Start 252: origtest_ffmmff94_5 252: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffmmff94" "5" 252: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 252: Environment variables: 252: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 252: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 252: Test timeout computed to be: 1500 252: # Testing MMFF94 Force Field... 252: ok 1 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: 1 ( 75.919, 23.900, -8.357) ( 75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) 250: bond ( 43.256, 7.487, -14.578) ( 43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) 250: angle ( -0.077, 0.026, -0.013) ( -0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) 250: strbnd ( 27.650, 7.696, -4.671) ( 27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) 250: torsion ( -0.018, 0.018, 0.030) ( -0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) 250: oop ( -0.004, 0.006, 0.012) ( -0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( 5.113, 8.667, 10.865) ( 5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 2 ( -0.007, 70.694, -37.613) ( 0.000, 70.701, -37.611) ( 0.00, 0.01, 0.01) 250: bond ( -0.003, 34.123, -31.161) ( 0.000, 34.128, -31.160) ( 0.00, 0.01, 0.00) 250: angle ( -0.002, 0.021, -0.051) ( 0.000, 0.022, -0.051) ( 0.00, 0.00, 0.00) 250: strbnd ( -0.001, 24.741, -15.277) ( -0.000, 24.742, -15.276) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.007, -0.022) ( 0.000, -0.006, -0.021) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.005, -0.010) ( 0.000, -0.005, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, 11.821, 8.908) ( 0.000, 11.821, 8.908) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( -0.007, -70.710, -37.613) ( -0.000, -70.701, -37.611) ( 0.00, 0.01, 0.01) 250: bond ( -0.003, -34.133, -31.161) ( 0.000, -34.128, -31.160) ( 0.00, 0.01, 0.00) 250: angle ( -0.002, -0.024, -0.051) ( 0.000, -0.022, -0.051) ( 0.00, 0.00, 0.00) 250: strbnd ( -0.001, -24.743, -15.277) ( 0.000, -24.742, -15.276) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, 0.006, -0.022) ( 0.000, 0.006, -0.021) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.005, -0.010) ( 0.000, 0.005, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, -11.821, 8.908) ( -0.000, -11.821, 8.908) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 4 ( 75.919, -23.913, -8.357) ( 75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) 250: bond ( 43.256, -7.494, -14.578) ( 43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) 250: angle ( -0.077, -0.029, -0.013) ( -0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) 250: strbnd ( 27.650, -7.698, -4.671) ( 27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) 250: torsion ( -0.018, -0.018, 0.030) ( -0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) 250: oop ( -0.004, -0.006, 0.012) ( -0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( 5.113, -8.667, 10.865) ( 5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 (-38.554, 47.292, -52.215) (-38.549, 47.297, -52.209) ( 0.01, 0.01, 0.01) 250: bond (-12.136, 26.876, -35.755) (-12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) 250: angle ( -0.007, 0.078, 0.012) ( -0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) 250: strbnd (-12.414, 17.157, -20.001) (-12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) 250: torsion ( 0.017, 0.014, -0.020) ( 0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) 250: oop ( 0.005, 0.002, -0.006) ( 0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) 250: vdw (-14.019, 3.164, 3.556) (-14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 6 (-38.554, -47.306, -52.215) (-38.549, -47.297, -52.209) ( 0.01, 0.02, 0.01) 250: bond (-12.136, -26.884, -35.755) (-12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) 250: angle ( -0.007, -0.081, 0.012) ( -0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) 250: strbnd (-12.414, -17.160, -20.001) (-12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) 248: angle ( -0.013, 0.075, -0.029) ( -0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) 248: strbnd ( -4.671, -27.652, -7.698) ( -4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) 248: torsion ( 0.030, 0.017, -0.018) ( 0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) 248: oop ( 0.012, 0.004, -0.006) ( 0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 10.865, -5.113, -8.667) ( 10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 52 ( 37.554, -49.775, 56.098) ( 37.561, -49.767, 56.102) ( 0.02, 0.02, 0.01) 248: bond ( 12.130, -26.884, 35.751) ( 12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) 248: angle ( 1.671, 3.010, 0.624) ( 1.672, 3.012, 0.625) ( 0.08, 0.05, 0.07) 248: strbnd ( 11.182, -22.719, 19.528) ( 11.183, -22.718, 19.529) ( 0.01, 0.00, 0.00) 248: torsion ( -1.441, -0.016, 3.746) ( -1.441, -0.015, 3.746) ( 0.03, 0.00, 0.02) 248: oop ( -0.006, -0.002, 0.006) ( -0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 14.019, -3.165, -3.556) ( 14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 53 ( 57.517, 33.960, 18.680) ( 57.526, 33.965, 18.684) ( 0.02, 0.02, 0.02) 248: bond ( 43.256, 7.487, 14.575) ( 43.260, 7.491, 14.577) ( 0.01, 0.04, 0.01) 248: angle ( -5.272, -6.052, -3.749) ( -5.270, -6.051, -3.748) ( 0.03, 0.03, 0.03) 248: strbnd ( 14.441, 25.672, 15.790) ( 14.443, 25.673, 15.791) ( 0.01, 0.00, 0.00) 248: torsion ( -0.018, -1.820, 2.940) ( -0.018, -1.820, 2.940) ( 0.00, 0.02, 0.02) 248: oop ( -0.004, 0.006, -0.012) ( -0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( 5.113, 8.667, -10.865) ( 5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 54 (-52.445, 20.194, 0.196) (-52.439, 20.201, 0.199) ( 0.01, 0.03, 0.06) 248: bond (-30.817, 15.080, 19.379) (-30.813, 15.086, 19.380) ( 0.01, 0.03, 0.00) 248: angle ( 5.186, 6.102, 3.821) ( 5.188, 6.103, 3.822) ( 0.04, 0.03, 0.02) 248: strbnd (-26.815, -14.634, -11.154) (-26.815, -14.635, -11.154) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, 1.831, -2.952) ( 0.001, 1.831, -2.951) ( 0.00, 0.01, 0.02) 248: oop ( -0.000, -0.005, 0.010) ( -0.000, -0.005, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, 11.821, -8.908) ( 0.000, 11.821, -8.908) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 55 ( 37.554, 49.762, 56.098) ( 37.561, 49.767, 56.102) ( 0.02, 0.01, 0.01) 248: bond ( 12.130, 26.876, 35.751) ( 12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) 248: angle ( 1.671, -3.013, 0.624) ( 1.672, -3.012, 0.625) ( 0.08, 0.05, 0.07) 248: strbnd ( 11.182, 22.717, 19.528) ( 11.183, 22.718, 19.529) ( 0.01, 0.00, 0.00) 248: torsion ( -1.441, 0.015, 3.746) ( -1.441, 0.015, 3.746) ( 0.03, 0.00, 0.02) 248: oop ( -0.006, 0.002, 0.006) ( -0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 14.019, 3.164, -3.556) ( 14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 56 (-38.554, 47.292, 52.205) (-38.549, 47.297, 52.209) ( 0.01, 0.01, 0.01) 248: bond (-12.136, 26.876, 35.751) (-12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) 248: angle ( -0.007, 0.078, -0.014) ( -0.006, 0.079, -0.013) ( 0.00, 0.01, 0.00) 248: strbnd (-12.414, 17.157, 20.000) (-12.413, 17.159, 20.000) ( 0.01, 0.01, 0.00) 248: torsion ( 0.017, 0.014, 0.019) ( 0.017, 0.014, 0.019) ( 0.00, 0.00, 0.00) 248: oop ( 0.005, 0.002, 0.006) ( 0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) 248: vdw (-14.019, 3.164, -3.556) (-14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) 251: angle ( 0.780, 0.980, -0.002) ( 0.780, 0.980, -0.002) ( 0.03, 0.05, 0.00) 251: strbnd ( -0.246, 0.126, -0.182) ( -0.246, 0.126, -0.182) ( 0.00, 0.00, 0.00) 251: torsion ( -1.955, -0.263, -0.980) ( -1.955, -0.263, -0.980) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.263, -1.523, -0.342) ( 2.263, -1.523, -0.342) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 24 ( 0.008, -0.004, -0.001) ( 0.009, -0.001, -0.001) ( 0.00, 0.00, 0.00) 251: bond ( 0.400, -1.579, 0.234) ( 0.400, -1.576, 0.235) ( 0.01, 0.20, 0.00) 251: angle ( -0.974, 0.080, 2.199) ( -0.974, 0.080, 2.199) ( 0.05, 0.00, 0.02) 251: strbnd ( -0.565, 0.621, -0.074) ( -0.565, 0.621, -0.074) ( 0.00, 0.00, 0.00) 251: torsion ( -0.236, -0.429, -2.483) ( -0.236, -0.429, -2.483) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.383, 1.303, 0.122) ( 1.383, 1.303, 0.122) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 25 ( -0.003, 0.003, 0.000) ( -0.001, 0.003, 0.003) ( 0.00, 0.00, 0.00) 251: bond ( -0.527, 0.046, -0.630) ( -0.526, 0.046, -0.628) ( 0.07, 0.00, 0.13) 251: angle ( -0.726, -0.901, 0.541) ( -0.725, -0.901, 0.541) ( 0.02, 0.04, 0.01) 251: strbnd ( -0.277, -0.238, 0.153) ( -0.277, -0.238, 0.153) ( 0.00, 0.00, 0.00) 251: torsion ( 0.187, -0.339, -0.181) ( 0.187, -0.338, -0.181) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.340, 1.434, 0.118) ( 1.340, 1.434, 0.118) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 26 ( 0.006, -0.002, -0.020) ( 0.007, -0.001, -0.018) ( 0.00, 0.00, 0.01) 251: bond ( -0.838, 0.546, 1.494) ( -0.837, 0.547, 1.496) ( 0.06, 0.02, 0.16) 251: angle ( -0.275, -2.955, 0.926) ( -0.274, -2.954, 0.926) ( 0.01, 0.02, 0.01) 251: strbnd ( -0.022, -0.439, -0.536) ( -0.022, -0.439, -0.536) ( 0.00, 0.00, 0.00) 251: torsion ( -1.106, 1.318, -1.100) ( -1.106, 1.318, -1.100) ( 0.00, 0.00, 0.00) 251: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.246, 1.528, -0.804) ( 2.246, 1.528, -0.804) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: ok 6 # gradients 251: ok 7 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : fizgok.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 57 ( 47.292, 52.205, -38.554) ( 47.297, 52.209, -38.549) ( 0.01, 0.01, 0.01) 248: bond ( 26.876, 35.751, -12.136) ( 26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) 248: angle ( 0.078, -0.014, -0.007) ( 0.079, -0.013, -0.006) ( 0.01, 0.00, 0.00) 248: strbnd ( 17.157, 20.000, -12.414) ( 17.159, 20.000, -12.413) ( 0.01, 0.00, 0.01) 248: torsion ( 0.014, 0.019, 0.017) ( 0.014, 0.019, 0.017) ( 0.00, 0.00, 0.00) 248: oop ( 0.002, 0.006, 0.005) ( 0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) 248: vdw ( 3.164, -3.556, -14.019) ( 3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 58 ( 3.504, -53.454, 17.121) ( 3.509, -53.448, 17.126) ( 0.15, 0.01, 0.02) 248: bond (-12.452, -26.537, 26.356) (-12.448, -26.533, 26.357) ( 0.04, 0.01, 0.01) 248: angle ( -9.977, 5.381, -2.072) ( -9.975, 5.383, -2.071) ( 0.02, 0.04, 0.05) 248: strbnd ( 29.601, -21.772, 10.437) ( 29.601, -21.772, 10.438) ( 0.00, 0.00, 0.00) 248: torsion ( 1.442, -1.853, -6.723) ( 1.442, -1.853, -6.722) ( 0.02, 0.02, 0.01) 248: oop ( 0.004, -0.006, -0.012) ( 0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -5.113, -8.667, -10.865) ( -5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 59 ( 57.517, -33.972, 18.680) ( 57.526, -33.965, 18.684) ( 0.02, 0.02, 0.02) 248: bond ( 43.256, -7.494, 14.575) ( 43.260, -7.491, 14.577) ( 0.01, 0.04, 0.01) 248: angle ( -5.272, 6.049, -3.749) ( -5.270, 6.051, -3.748) ( 0.03, 0.03, 0.03) 248: strbnd ( 14.441, -25.674, 15.790) ( 14.443, -25.673, 15.791) ( 0.01, 0.00, 0.00) 248: torsion ( -0.018, 1.819, 2.940) ( -0.018, 1.820, 2.940) ( 0.00, 0.02, 0.02) 248: oop ( -0.004, -0.006, -0.012) ( -0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( 5.113, -8.667, -10.865) ( 5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 60 (-52.445, -20.208, 0.196) (-52.439, -20.201, 0.199) ( 0.01, 0.04, 0.06) 248: bond (-30.817, -15.091, 19.379) (-30.813, -15.086, 19.380) ( 0.01, 0.03, 0.00) 248: angle ( 5.186, -6.105, 3.821) ( 5.188, -6.103, 3.822) ( 0.04, 0.03, 0.02) 248: strbnd (-26.815, 14.635, -11.154) (-26.815, 14.635, -11.154) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, -1.831, -2.952) ( 0.001, -1.831, -2.951) ( 0.00, 0.01, 0.02) 248: oop ( -0.000, 0.005, 0.010) ( 0.000, 0.005, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.000, -11.821, -8.908) ( -0.000, -11.821, -8.908) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 18 # gradients 248: ok 19 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 252: 1 ( -2.053, 0.415, -0.337) ( -2.105, 0.368, -0.075) ( 2.53, 1.96, 8.81) 252: bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) 252: angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) 252: strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) 252: torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) 252: oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) 252: vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) 252: electro ( 0.486, 0.087, 0.038) ( 0.486, 0.087, 0.038) ( 0.00, 0.00, 0.00) 252: 2 ( 0.088, 0.178, 0.659) ( 0.225, 0.295, 0.137) ( 1.20, 2.08, 34.38) 252: bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) 252: angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) 252: strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) 252: torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) 252: oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) 252: vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) 252: electro ( 0.052, -0.254, -0.057) ( 0.052, -0.254, -0.057) ( 0.00, 0.00, 0.00) 252: 3 ( 0.944, 1.074, 0.464) ( 0.859, 1.006, 0.824) ( 8.03, 6.34, 16.68) 252: bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) 252: angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) 252: strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) 252: torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) 252: oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) 252: vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) 252: electro ( -0.569, 0.038, -0.166) ( -0.569, 0.038, -0.166) ( 0.00, 0.00, 0.00) 252: 4 ( 0.427, -1.622, -0.238) ( 0.436, -1.613, -0.247) ( 0.36, 0.57, 0.21) 252: bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) 252: angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) 252: strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) 252: torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) 252: oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) 252: vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) 252: electro ( 0.349, 0.071, -0.029) ( 0.349, 0.071, -0.029) ( 0.00, 0.00, 0.00) 252: 5 ( -6.203, 2.397, 1.174) ( -6.193, 2.403, 1.165) ( 0.15, 0.28, 0.83) 252: bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) 252: angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) 252: strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) 252: torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) 252: oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) 252: vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) 252: electro ( -0.343, 0.567, -0.136) ( -0.343, 0.567, -0.136) ( 0.00, 0.00, 0.00) 252: 6 ( 1.625, -1.131, -0.206) ( 1.645, -1.109, -0.266) ( 1.28, 1.91, 1.23) 252: bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) 252: angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) 252: strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) 250: torsion ( 0.017, -0.014, -0.020) ( 0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) 250: oop ( 0.005, -0.002, -0.006) ( 0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) 250: vdw (-14.019, -3.165, 3.556) (-14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 7 (-75.934, 23.900, -8.357) (-75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) 250: bond (-43.264, 7.487, -14.578) (-43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) 250: angle ( 0.075, 0.026, -0.013) ( 0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) 250: strbnd (-27.652, 7.696, -4.671) (-27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) 250: torsion ( 0.017, 0.018, 0.030) ( 0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) 250: oop ( 0.004, 0.006, 0.012) ( 0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -5.113, 8.667, 10.865) ( -5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 8 (-75.934, -23.913, -8.357) (-75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) 250: bond (-43.264, -7.494, -14.578) (-43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) 250: angle ( 0.075, -0.029, -0.013) ( 0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) 250: strbnd (-27.652, -7.698, -4.671) (-27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) 250: torsion ( 0.017, -0.018, 0.030) ( 0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) 250: oop ( 0.004, -0.006, 0.012) ( 0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -5.113, -8.667, 10.865) ( -5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 9 ( 47.292, 52.205, 38.542) ( 47.297, 52.209, 38.549) ( 0.01, 0.01, 0.02) 250: bond ( 26.876, 35.751, 12.130) ( 26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) 250: angle ( 0.078, -0.014, 0.005) ( 0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) 250: strbnd ( 17.157, 20.000, 12.412) ( 17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) 250: torsion ( 0.014, 0.019, -0.017) ( 0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) 250: oop ( 0.002, 0.006, -0.006) ( 0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 250: vdw ( 3.164, -3.556, 14.019) ( 3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 10 ( 8.348, 75.919, 23.900) ( 8.353, 75.928, 23.905) ( 0.06, 0.01, 0.02) 250: bond ( 14.575, 43.256, 7.487) ( 14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) 250: angle ( 0.011, -0.077, 0.026) ( 0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( 4.670, 27.650, 7.696) ( 4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) 250: torsion ( -0.031, -0.018, 0.018) ( -0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.012, -0.004, 0.006) ( -0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) 250: vdw (-10.865, 5.113, 8.667) (-10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 11 ( 8.348, -75.934, 23.900) ( 8.353, -75.928, 23.905) ( 0.06, 0.01, 0.02) 250: bond ( 14.575, -43.264, 7.487) ( 14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) 250: angle ( 0.011, 0.075, 0.026) ( 0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( 4.670, -27.652, 7.696) ( 4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) 250: torsion ( -0.031, 0.017, 0.018) ( -0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.012, 0.004, 0.006) ( -0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) 250: vdw (-10.865, -5.113, 8.667) (-10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 12 ( 47.292, -52.215, 38.542) ( 47.297, -52.209, 38.549) ( 0.01, 0.01, 0.02) 251: 1 ( 0.075, 0.147, -0.085) ( 0.082, 0.159, -0.080) ( 0.05, 0.19, 0.04) 251: bond ( -7.838, -3.903, -3.643) ( -7.834, -3.894, -3.639) ( 0.06, 0.21, 0.11) 251: angle ( 7.377, -14.044, 12.273) ( 7.380, -14.042, 12.275) ( 0.04, 0.02, 0.02) 251: strbnd ( 0.657, 1.642, -0.343) ( 0.656, 1.641, -0.344) ( 0.08, 0.06, 0.04) 251: torsion ( -0.045, 0.673, -0.372) ( -0.045, 0.673, -0.371) ( 0.00, 0.01, 0.00) 251: oop ( -0.007, -0.027, 0.009) ( -0.007, -0.024, 0.008) ( 0.00, 0.01, 0.00) 251: vdw ( -0.525, -6.965, 3.135) ( -0.525, -6.965, 3.135) ( 0.00, 0.00, 0.00) 251: electro ( 0.455, 22.771, -11.143) ( 0.455, 22.771, -11.143) ( 0.00, 0.00, 0.00) 251: 2 ( 1.636, -0.294, 0.523) ( 1.645, -0.288, 0.526) ( 0.60, 0.19, 0.15) 251: bond (-11.204, 8.407, 18.715) (-11.196, 8.408, 18.718) ( 0.07, 0.01, 0.02) 251: angle ( 0.078, 5.582, 5.314) ( 0.080, 5.582, 5.316) ( 0.01, 0.01, 0.04) 251: strbnd ( 14.683, -10.263, -21.918) ( 14.682, -10.263, -21.919) ( 0.01, 0.00, 0.00) 251: torsion ( 0.150, 0.067, -0.035) ( 0.150, 0.067, -0.035) ( 0.00, 0.00, 0.00) 251: oop ( -0.011, -0.041, 0.013) ( -0.010, -0.036, 0.012) ( 0.00, 0.02, 0.00) 251: vdw ( -1.009, -4.181, -1.167) ( -1.009, -4.181, -1.167) ( 0.00, 0.00, 0.00) 251: electro ( -1.053, 0.135, -0.399) ( -1.053, 0.135, -0.399) ( 0.00, 0.00, 0.00) 251: 3 ( -1.196, -0.099, -1.352) ( -1.194, -0.124, -1.338) ( 0.11, 0.25, 1.02) 251: bond ( -4.431, 5.571, 14.123) ( -4.424, 5.572, 14.127) ( 0.17, 0.01, 0.03) 251: angle ( 2.807, -2.317, -5.897) ( 2.808, -2.317, -5.895) ( 0.05, 0.01, 0.04) 251: strbnd ( -0.396, -3.222, -10.930) ( -0.396, -3.222, -10.931) ( 0.03, 0.00, 0.01) 251: torsion ( 0.009, 0.024, -0.016) ( 0.009, 0.024, -0.016) ( 0.00, 0.00, 0.00) 251: oop ( 0.040, 0.151, -0.046) ( 0.033, 0.124, -0.038) ( 0.03, 0.41, 0.04) 251: vdw ( -1.180, -0.564, -1.315) ( -1.180, -0.564, -1.315) ( 0.00, 0.00, 0.00) 251: electro ( 1.956, 0.259, 2.729) ( 1.956, 0.259, 2.729) ( 0.00, 0.00, 0.00) 251: 4 ( -0.453, 0.371, 0.817) ( -0.453, 0.347, 0.833) ( 0.03, 0.90, 1.31) 251: bond ( 11.836, -5.927, -8.661) ( 11.841, -5.926, -8.655) ( 0.04, 0.01, 0.08) 251: angle ( -4.489, 2.870, 4.414) ( -4.487, 2.870, 4.415) ( 0.05, 0.01, 0.03) 251: strbnd ( -9.187, 3.979, 4.504) ( -9.187, 3.979, 4.504) ( 0.01, 0.00, 0.01) 251: torsion ( -0.003, 0.015, 0.000) ( -0.003, 0.016, 0.000) ( 0.00, 0.00, 0.00) 251: oop ( 0.040, 0.146, -0.047) ( 0.033, 0.121, -0.038) ( 0.03, 0.38, 0.04) 251: vdw ( -1.795, -0.128, -0.448) ( -1.795, -0.128, -0.448) ( 0.00, 0.00, 0.00) 251: electro ( 3.145, -0.584, 1.055) ( 3.145, -0.584, 1.055) ( 0.00, 0.00, 0.00) 251: 5 ( -0.041, 0.004, 0.038) ( -0.035, 0.010, 0.045) ( 0.02, 0.00, 0.03) 251: bond ( 13.675, -9.287, -16.484) ( 13.679, -9.286, -16.477) ( 0.03, 0.01, 0.04) 251: angle ( 6.589, 0.956, -3.854) ( 6.590, 0.957, -3.852) ( 0.03, 0.06, 0.04) 251: strbnd (-16.570, 11.056, 19.409) (-16.571, 11.055, 19.409) ( 0.01, 0.00, 0.00) 251: torsion ( 0.066, 0.138, 0.084) ( 0.066, 0.138, 0.084) ( 0.00, 0.01, 0.00) 251: oop ( -0.010, -0.039, 0.012) ( -0.009, -0.035, 0.011) ( 0.00, 0.02, 0.00) 251: vdw ( -3.074, -2.716, 1.743) ( -3.074, -2.716, 1.743) ( 0.00, 0.00, 0.00) 251: electro ( -0.716, -0.103, -0.873) ( -0.716, -0.103, -0.873) ( 0.00, 0.00, 0.00) 251: 6 ( 0.013, -0.004, -0.008) ( 0.016, 0.001, -0.008) ( 0.00, 0.00, 0.00) 251: bond ( 11.948, -5.575, -8.525) ( 11.950, -5.574, -8.524) ( 0.01, 0.01, 0.01) 251: angle ( -0.801, -0.056, -1.086) ( -0.801, -0.057, -1.085) ( 0.01, 0.00, 0.03) 251: strbnd (-17.035, 8.265, 13.244) (-17.035, 8.265, 13.244) ( 0.00, 0.00, 0.00) 248: 1 ( 47.614, 10.906, 0.039) ( 47.621, 10.915, 0.093) ( 0.02, 0.08, 0.21) 248: bond ( 30.636, -6.297, 0.167) ( 30.642, -6.289, 0.167) ( 0.02, 0.13, 0.00) 248: angle ( 32.862, 34.136, 0.480) ( 32.865, 34.139, 0.480) ( 0.01, 0.01, 0.00) 248: strbnd (-13.324, -8.673, -0.104) (-13.325, -8.674, -0.104) ( 0.01, 0.01, 0.00) 248: torsion ( 0.006, 0.007, -0.513) ( 0.006, 0.007, -0.512) ( 0.00, 0.00, 0.06) 248: oop ( 0.002, 0.002, -0.095) ( 0.001, 0.002, -0.042) ( 0.00, 0.00, 0.50) 248: vdw ( -4.980, -11.257, 0.121) ( -4.980, -11.256, 0.121) ( 0.00, 0.00, 0.00) 248: electro ( 2.412, 2.988, -0.017) ( 2.412, 2.988, -0.017) ( 0.00, 0.00, 0.00) 248: 2 (-60.262, -26.974, -2.058) (-60.252, -26.966, -1.947) ( 0.02, 0.03, 5.40) 248: bond (-30.553, -9.880, 0.169) (-30.547, -9.873, 0.169) ( 0.02, 0.07, 0.00) 248: angle (-46.521, -10.271, 0.396) (-46.518, -10.269, 0.396) ( 0.01, 0.02, 0.00) 248: strbnd ( 17.496, -2.306, -0.133) ( 17.495, -2.306, -0.133) ( 0.00, 0.03, 0.00) 248: torsion ( -0.025, 0.014, -1.717) ( -0.025, 0.014, -1.715) ( 0.00, 0.00, 0.08) 248: oop ( -0.004, 0.004, -0.489) ( -0.003, 0.003, -0.380) ( 0.00, 0.00, 5.38) 248: vdw ( 1.588, -12.705, -0.305) ( 1.588, -12.704, -0.305) ( 0.01, 0.00, 0.00) 248: electro ( -2.243, 8.169, 0.021) ( -2.243, 8.169, 0.021) ( 0.00, 0.00, 0.00) 248: 3 ( 23.930, -14.242, 1.480) ( 23.937, -14.234, 1.356) ( 0.03, 0.06, 8.43) 248: bond ( 39.764, 9.492, -0.196) ( 39.769, 9.499, -0.196) ( 0.01, 0.07, 0.00) 248: angle ( -9.543, -33.981, 0.308) ( -9.540, -33.979, 0.308) ( 0.03, 0.01, 0.01) 248: strbnd ( -7.639, 9.515, -0.055) ( -7.639, 9.513, -0.055) ( 0.00, 0.01, 0.00) 248: torsion ( 0.011, 0.725, 0.814) ( 0.011, 0.725, 0.815) ( 0.00, 0.00, 0.09) 248: oop ( 0.005, 0.000, 0.631) ( 0.004, 0.000, 0.505) ( 0.00, 0.00, 7.96) 248: vdw ( 9.366, 0.886, 0.003) ( 9.367, 0.886, 0.003) ( 0.00, 0.00, 0.00) 248: electro ( -8.034, -0.879, -0.025) ( -8.034, -0.879, -0.025) ( 0.00, 0.00, 0.00) 248: 4 ( 0.145, -4.796, -0.990) ( 0.155, -4.783, -0.870) ( 0.15, 0.26, 11.92) 248: bond (-10.729, -14.628, 0.267) (-10.721, -14.617, 0.267) ( 0.08, 0.07, 0.01) 248: angle ( 32.474, 51.618, -0.713) ( 32.476, 51.622, -0.713) ( 0.01, 0.01, 0.01) 248: strbnd (-21.280, -41.834, 0.455) (-21.281, -41.837, 0.455) ( 0.01, 0.01, 0.00) 248: torsion ( -0.002, -0.000, 0.339) ( -0.002, -0.000, 0.341) ( 0.00, 0.00, 0.04) 248: oop ( -0.004, -0.005, -0.706) ( -0.003, -0.004, -0.587) ( 0.00, 0.00, 8.43) 248: vdw ( 7.224, 10.517, -0.632) ( 7.224, 10.517, -0.632) ( 0.00, 0.00, 0.00) 248: electro ( -7.539, -10.463, -0.002) ( -7.539, -10.463, -0.002) ( 0.00, 0.00, 0.00) 248: 5 ( 32.855, 54.085, -1.765) ( 32.859, 54.093, -1.793) ( 0.01, 0.01, 1.56) 248: bond ( 14.954, 25.801, -0.346) ( 14.956, 25.809, -0.346) ( 0.02, 0.03, 0.00) 248: angle ( -0.954, 0.553, 0.090) ( -0.953, 0.554, 0.090) ( 0.07, 0.01, 0.00) 248: strbnd ( 15.993, 27.797, -0.361) ( 15.993, 27.797, -0.362) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, 0.000, 0.051) ( 0.001, 0.000, 0.051) ( 0.00, 0.00, 0.00) 248: oop ( 0.001, 0.002, 0.182) ( 0.001, 0.001, 0.155) ( 0.00, 0.00, 0.50) 248: vdw ( 7.016, 4.718, -1.422) ( 7.016, 4.718, -1.422) ( 0.00, 0.00, 0.00) 248: electro ( -4.154, -4.786, 0.041) ( -4.154, -4.786, 0.041) ( 0.00, 0.00, 0.00) 248: 6 ( -0.168, 8.955, 0.093) ( -0.160, 8.963, -0.035) ( 0.14, 0.09, 1.18) 248: bond (-14.177, 30.083, -0.172) (-14.170, 30.088, -0.172) ( 0.05, 0.02, 0.00) 248: angle ( 8.442, -39.763, 0.869) ( 8.444, -39.760, 0.869) ( 0.03, 0.01, 0.03) 248: strbnd ( 11.495, 9.907, -0.096) ( 11.495, 9.907, -0.096) ( 0.00, 0.00, 0.00) 252: torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) 252: oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) 252: vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) 252: electro ( -0.144, 0.140, 0.062) ( -0.144, 0.140, 0.062) ( 0.00, 0.00, 0.00) 252: 7 ( -1.018, -0.292, -0.300) ( -1.008, -0.282, -0.315) ( 0.96, 0.31, 0.44) 252: bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) 252: angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) 252: strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) 252: torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) 252: oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) 252: vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) 252: electro ( 0.448, -0.945, -0.018) ( 0.448, -0.945, -0.018) ( 0.00, 0.00, 0.00) 252: 8 ( -1.004, 2.236, 0.069) ( -1.034, 2.210, 0.203) ( 3.05, 1.13, 0.92) 252: bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) 252: angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) 252: strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) 252: torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) 252: oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) 252: vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) 252: electro ( 0.013, -0.285, 0.000) ( 0.013, -0.285, 0.000) ( 0.00, 0.00, 0.00) 252: 9 ( 0.351, -0.939, 0.203) ( 0.357, -0.933, 0.209) ( 0.20, 0.53, 0.11) 252: bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) 252: angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) 252: strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) 252: torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) 252: electro ( 0.040, -0.039, -0.079) ( 0.040, -0.039, -0.079) ( 0.00, 0.00, 0.00) 252: 10 ( 0.625, -1.053, -0.035) ( 0.652, -1.028, -0.117) ( 1.68, 2.30, 0.29) 252: bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) 252: angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) 252: strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) 252: torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) 252: oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) 252: vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) 252: electro ( -0.080, -0.003, -0.041) ( -0.080, -0.003, -0.041) ( 0.00, 0.00, 0.00) 252: 11 ( -0.026, -0.445, -0.490) ( -0.012, -0.431, -0.525) ( 0.04, 0.66, 1.67) 252: bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) 252: angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) 252: strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) 252: torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) 252: oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) 252: vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) 252: electro ( 0.189, 0.026, 0.145) ( 0.189, 0.026, 0.145) ( 0.00, 0.00, 0.00) 252: 12 ( 0.717, -9.657, 1.652) ( 0.730, -9.654, 1.624) ( 0.90, 0.03, 1.69) 250: bond ( 26.876, -35.755, 12.130) ( 26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) 250: angle ( 0.078, 0.012, 0.005) ( 0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) 250: strbnd ( 17.157, -20.001, 12.412) ( 17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) 250: torsion ( 0.014, -0.020, -0.017) ( 0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) 250: oop ( 0.002, -0.006, -0.006) ( 0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) 250: vdw ( 3.164, 3.556, 14.019) ( 3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 ( 52.205, -38.554, -47.306) ( 52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) 250: bond ( 35.751, -12.136, -26.884) ( 35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) 250: angle ( -0.014, -0.007, -0.081) ( -0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) 250: strbnd ( 20.000, -12.414, -17.160) ( 20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) 250: torsion ( 0.019, 0.017, -0.014) ( 0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, 0.005, -0.002) ( 0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( -3.556, -14.019, -3.165) ( -3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 14 (-23.913, 8.348, -75.934) (-23.905, 8.353, -75.928) ( 0.03, 0.06, 0.01) 250: bond ( -7.494, 14.575, -43.264) ( -7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) 250: angle ( -0.029, 0.011, 0.075) ( -0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( -7.698, 4.670, -27.652) ( -7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) 250: torsion ( -0.018, -0.031, 0.017) ( -0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, -0.012, 0.004) ( -0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) 250: vdw ( -8.667, -10.865, -5.113) ( -8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 15 ( 52.205, -38.554, 47.292) ( 52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) 250: bond ( 35.751, -12.136, 26.876) ( 35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) 250: angle ( -0.014, -0.007, 0.078) ( -0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) 250: strbnd ( 20.000, -12.414, 17.157) ( 20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) 250: torsion ( 0.019, 0.017, 0.014) ( 0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, 0.005, 0.002) ( 0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( -3.556, -14.019, 3.164) ( -3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 16 (-70.710, 37.607, -0.007) (-70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) 250: bond (-34.133, 31.159, -0.003) (-34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) 250: angle ( -0.024, 0.050, -0.002) ( -0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) 250: strbnd (-24.743, 15.275, -0.001) (-24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( 0.006, 0.020, -0.000) ( 0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( 0.005, 0.010, -0.000) ( 0.005, 0.011, -0.000) ( 0.00, 0.00, 0.00) 250: vdw (-11.821, -8.908, -0.000) (-11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 17 ( 38.542, -47.306, -52.215) ( 38.549, -47.297, -52.209) ( 0.02, 0.02, 0.01) 250: bond ( 12.130, -26.884, -35.755) ( 12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) 250: angle ( 0.005, -0.081, 0.012) ( 0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) 250: strbnd ( 12.412, -17.160, -20.001) ( 12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) 250: torsion ( -0.017, -0.014, -0.020) ( -0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, -0.002, -0.006) ( -0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) 29: 135 251: torsion ( -0.113, -0.440, 0.129) ( -0.113, -0.440, 0.129) ( 0.00, 0.01, 0.00) 251: oop ( -0.004, -0.017, 0.005) ( -0.003, -0.013, 0.004) ( 0.00, 0.01, 0.00) 251: vdw ( 5.058, -1.595, -0.879) ( 5.058, -1.595, -0.879) ( 0.00, 0.00, 0.00) 251: electro ( 0.961, -0.585, -2.896) ( 0.961, -0.585, -2.896) ( 0.00, 0.00, 0.00) 251: 7 ( 0.004, -0.006, -0.007) ( 0.009, 0.011, -0.010) ( 0.00, 0.01, 0.00) 251: bond ( -1.576, -0.689, -3.698) ( -1.575, -0.689, -3.696) ( 0.02, 0.00, 0.06) 251: angle ( -1.762, 0.781, 0.606) ( -1.762, 0.781, 0.606) ( 0.02, 0.00, 0.00) 251: strbnd ( 3.973, 2.058, 10.392) ( 3.974, 2.058, 10.392) ( 0.00, 0.00, 0.00) 251: torsion ( 0.002, 0.010, -0.003) ( 0.002, 0.010, -0.003) ( 0.00, 0.00, 0.00) 251: oop ( -0.021, -0.079, 0.024) ( -0.017, -0.062, 0.019) ( 0.01, 0.13, 0.01) 251: vdw ( -0.489, -2.014, -7.035) ( -0.489, -2.014, -7.035) ( 0.01, 0.00, 0.00) 251: electro ( -0.123, -0.073, -0.293) ( -0.123, -0.073, -0.293) ( 0.00, 0.00, 0.00) 251: 8 ( -0.014, 0.006, 0.005) ( -0.006, 0.023, 0.000) ( 0.01, 0.01, 0.00) 251: bond ( -3.952, 0.990, -0.369) ( -3.949, 0.990, -0.369) ( 0.06, 0.01, 0.00) 251: angle ( 0.055, -0.510, -1.957) ( 0.055, -0.510, -1.957) ( 0.00, 0.00, 0.02) 251: strbnd ( 10.930, -2.876, 0.597) ( 10.930, -2.875, 0.597) ( 0.00, 0.00, 0.00) 251: torsion ( 0.004, 0.013, -0.005) ( 0.004, 0.013, -0.005) ( 0.00, 0.00, 0.00) 251: oop ( -0.022, -0.078, 0.025) ( -0.017, -0.061, 0.019) ( 0.01, 0.13, 0.01) 251: vdw ( -6.710, 2.400, 1.731) ( -6.710, 2.400, 1.731) ( 0.00, 0.00, 0.01) 251: electro ( -0.319, 0.065, -0.017) ( -0.319, 0.065, -0.017) ( 0.00, 0.00, 0.00) 251: 9 ( 0.001, -0.005, -0.013) ( 0.003, 0.000, -0.012) ( 0.00, 0.00, 0.00) 251: bond ( -4.048, 5.770, 13.996) ( -4.048, 5.770, 13.999) ( 0.00, 0.01, 0.02) 251: angle ( -1.241, 0.257, -0.465) ( -1.241, 0.257, -0.465) ( 0.03, 0.00, 0.00) 251: strbnd ( 6.786, -8.639, -20.325) ( 6.786, -8.639, -20.325) ( 0.00, 0.00, 0.00) 251: torsion ( -0.124, -0.435, 0.144) ( -0.124, -0.435, 0.144) ( 0.00, 0.01, 0.00) 251: oop ( -0.005, -0.018, 0.006) ( -0.004, -0.013, 0.004) ( 0.00, 0.01, 0.00) 251: vdw ( 0.799, 1.425, 5.120) ( 0.799, 1.425, 5.120) ( 0.01, 0.00, 0.00) 251: electro ( -2.167, 1.634, 1.511) ( -2.167, 1.634, 1.511) ( 0.00, 0.00, 0.00) 251: 10 ( -0.041, -0.122, 0.031) ( -0.038, -0.116, 0.034) ( 0.01, 0.07, 0.01) 251: bond ( -3.216, -14.697, 5.117) ( -3.214, -14.692, 5.118) ( 0.06, 0.04, 0.02) 251: angle ( -7.773, 6.823, -8.945) ( -7.771, 6.824, -8.944) ( 0.02, 0.01, 0.01) 251: strbnd ( 6.282, 1.107, 3.899) ( 6.282, 1.107, 3.898) ( 0.01, 0.00, 0.01) 251: torsion ( 0.055, -0.068, 0.073) ( 0.055, -0.068, 0.073) ( 0.00, 0.00, 0.00) 251: oop ( 0.002, -0.001, -0.002) ( 0.001, -0.001, -0.002) ( 0.00, 0.00, 0.00) 251: vdw ( 2.079, 0.861, 1.042) ( 2.079, 0.861, 1.042) ( 0.00, 0.00, 0.00) 251: electro ( 2.530, 5.853, -1.152) ( 2.530, 5.853, -1.152) ( 0.00, 0.00, 0.00) 251: 11 ( -0.148, 0.096, -0.138) ( -0.138, 0.102, -0.133) ( 0.15, 0.06, 0.07) 251: bond ( -2.324, 11.771, -7.579) ( -2.317, 11.777, -7.575) ( 0.31, 0.05, 0.07) 251: angle ( -3.241, -6.144, 0.794) ( -3.239, -6.142, 0.795) ( 0.06, 0.04, 0.10) 251: strbnd ( 3.432, 4.890, -0.026) ( 3.432, 4.889, -0.026) ( 0.02, 0.02, 0.00) 251: torsion ( -0.002, 0.001, 0.002) ( -0.002, 0.001, 0.002) ( 0.00, 0.00, 0.00) 251: oop ( -0.006, 0.004, 0.007) ( -0.005, 0.003, 0.007) ( 0.00, 0.00, 0.00) 251: vdw ( 1.330, -2.187, 2.045) ( 1.330, -2.187, 2.045) ( 0.00, 0.01, 0.00) 251: electro ( 0.662, -8.239, 4.619) ( 0.662, -8.239, 4.619) ( 0.00, 0.00, 0.00) 251: 12 ( 0.104, -0.045, 0.088) ( 0.109, -0.043, 0.092) ( 0.05, 0.01, 0.04) 248: torsion ( -0.428, -0.249, -1.278) ( -0.428, -0.249, -1.277) ( 0.00, 0.00, 0.07) 248: oop ( -0.000, 0.003, 0.773) ( -0.000, 0.003, 0.645) ( 0.00, 0.00, 9.94) 248: vdw ( -6.893, 11.755, 0.015) ( -6.893, 11.755, 0.015) ( 0.00, 0.00, 0.00) 248: electro ( 1.393, -2.782, -0.018) ( 1.393, -2.782, -0.018) ( 0.00, 0.00, 0.00) 248: 7 ( -6.398, -0.930, -0.886) ( -6.384, -0.921, -0.765) ( 0.22, 0.80, 10.80) 248: bond ( 14.169, 8.086, 0.243) ( 14.182, 8.092, 0.243) ( 0.09, 0.08, 0.01) 248: angle (-42.998, -14.458, -0.436) (-42.996, -14.456, -0.436) ( 0.01, 0.02, 0.01) 248: strbnd ( 11.153, 0.471, 0.082) ( 11.151, 0.470, 0.082) ( 0.01, 0.04, 0.00) 248: torsion ( -0.004, -0.002, 0.375) ( -0.004, -0.002, 0.376) ( 0.00, 0.00, 0.03) 248: oop ( 0.003, -0.000, -0.845) ( 0.003, -0.000, -0.724) ( 0.00, 0.00, 10.22) 248: vdw ( -7.050, -0.891, -0.311) ( -7.050, -0.891, -0.311) ( 0.00, 0.01, 0.00) 248: electro ( 18.330, 5.865, 0.006) ( 18.330, 5.865, 0.006) ( 0.00, 0.00, 0.00) 248: 8 (-50.729, -2.197, -0.507) (-50.718, -2.195, -0.575) ( 0.02, 0.05, 3.43) 248: bond (-33.079, 0.439, -0.219) (-33.068, 0.439, -0.220) ( 0.03, 0.01, 0.00) 248: angle ( 0.010, 0.811, 0.102) ( 0.010, 0.812, 0.102) ( 0.00, 0.09, 0.00) 248: strbnd (-14.392, -0.434, -0.079) (-14.392, -0.434, -0.079) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, -0.000, -0.096) ( 0.001, -0.000, -0.096) ( 0.00, 0.00, 0.00) 248: oop ( -0.002, -0.000, 0.361) ( -0.002, -0.000, 0.293) ( 0.00, 0.00, 2.44) 248: vdw ( -5.725, -2.617, -0.509) ( -5.725, -2.617, -0.509) ( 0.00, 0.01, 0.00) 248: electro ( 2.458, -0.395, -0.067) ( 2.458, -0.395, -0.067) ( 0.00, 0.00, 0.00) 248: 9 (-32.034, -12.171, -0.517) (-32.026, -12.162, -0.554) ( 0.03, 0.07, 1.89) 248: bond (-31.682, -14.421, -0.455) (-31.675, -14.415, -0.455) ( 0.02, 0.04, 0.00) 248: angle ( 5.174, 7.290, 0.065) ( 5.177, 7.293, 0.066) ( 0.05, 0.03, 0.00) 248: strbnd ( -6.582, -2.350, -0.240) ( -6.583, -2.351, -0.240) ( 0.02, 0.05, 0.00) 248: torsion ( 0.000, 0.005, -0.080) ( 0.000, 0.005, -0.079) ( 0.00, 0.00, 0.01) 248: oop ( -0.001, -0.003, 0.207) ( -0.000, -0.002, 0.169) ( 0.00, 0.00, 0.78) 248: vdw ( 1.438, -3.381, -0.019) ( 1.438, -3.381, -0.019) ( 0.00, 0.00, 0.00) 248: electro ( -0.381, 0.689, 0.005) ( -0.381, 0.689, 0.005) ( 0.00, 0.00, 0.00) 248: 10 (-11.709, -23.421, -0.019) (-11.704, -23.415, -0.082) ( 0.04, 0.03, 0.12) 248: bond (-32.483, -35.767, -0.526) (-32.480, -35.763, -0.526) ( 0.01, 0.01, 0.01) 248: angle ( 26.625, 6.434, -0.197) ( 26.627, 6.434, -0.197) ( 0.01, 0.01, 0.00) 248: strbnd ( -1.629, 3.816, 0.065) ( -1.629, 3.816, 0.065) ( 0.01, 0.01, 0.00) 248: torsion ( 0.008, -0.005, 0.486) ( 0.008, -0.005, 0.486) ( 0.00, 0.00, 0.02) 248: oop ( 0.002, -0.005, 0.355) ( 0.001, -0.005, 0.291) ( 0.00, 0.00, 2.26) 248: vdw ( -3.198, -3.532, -0.228) ( -3.198, -3.531, -0.228) ( 0.00, 0.00, 0.00) 248: electro ( -1.035, 5.639, 0.027) ( -1.035, 5.639, 0.027) ( 0.00, 0.00, 0.00) 248: 11 ( 35.827, 8.607, -0.338) ( 35.834, 8.614, -0.245) ( 0.02, 0.08, 3.13) 248: bond ( 44.495, 11.383, 0.093) ( 44.502, 11.390, 0.093) ( 0.01, 0.06, 0.00) 248: angle ( -0.477, -4.825, -0.116) ( -0.475, -4.823, -0.116) ( 0.09, 0.05, 0.00) 248: strbnd (-12.211, 2.309, 0.059) (-12.213, 2.308, 0.059) ( 0.02, 0.02, 0.00) 248: torsion ( -0.001, -0.001, 0.053) ( -0.001, -0.001, 0.054) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.010, -0.488) ( -0.000, 0.008, -0.397) ( 0.00, 0.00, 4.49) 248: vdw ( 4.096, -0.193, 0.062) ( 4.096, -0.193, 0.062) ( 0.00, 0.00, 0.00) 248: electro ( -0.073, -0.076, -0.001) ( -0.073, -0.076, -0.001) ( 0.00, 0.00, 0.00) 248: 12 ( 16.696, 4.159, 1.198) ( 16.701, 4.165, 1.188) ( 0.03, 0.16, 0.77) 252: bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) 252: angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) 252: strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) 252: torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) 252: oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) 252: vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) 252: electro ( 0.012, -0.260, 0.065) ( 0.012, -0.260, 0.065) ( 0.00, 0.00, 0.00) 252: 13 ( 2.460, -6.087, 1.095) ( 2.467, -6.080, 1.098) ( 0.27, 0.12, 0.31) 252: bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) 252: angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) 252: strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) 252: torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) 252: oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) 252: electro ( 0.099, 0.153, -0.002) ( 0.099, 0.153, -0.002) ( 0.00, 0.00, 0.00) 252: 14 ( -0.730, -2.358, 0.160) ( -0.723, -2.352, 0.165) ( 0.49, 0.28, 0.07) 252: bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) 252: angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) 252: strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) 252: torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) 252: oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) 252: vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) 252: electro ( -0.202, 0.073, -0.025) ( -0.202, 0.073, -0.025) ( 0.00, 0.00, 0.00) 252: 15 ( 2.261, -0.162, 0.226) ( 2.268, -0.156, 0.225) ( 0.30, 0.10, 0.02) 252: bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) 252: angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) 252: strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) 252: torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) 252: oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 252: vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) 252: electro ( 0.256, -0.023, 0.038) ( 0.256, -0.023, 0.038) ( 0.00, 0.00, 0.00) 252: 16 ( 12.486, 1.008, 1.043) ( 12.490, 1.019, 1.066) ( 0.04, 1.05, 2.16) 252: bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) 252: angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) 252: strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) 252: torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) 252: oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) 252: vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) 252: electro ( -0.038, 0.307, -0.033) ( -0.038, 0.307, -0.033) ( 0.00, 0.00, 0.00) 252: 17 (-13.149, 41.872, -7.596) (-13.137, 41.873, -7.641) ( 0.08, 0.00, 0.59) 252: bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) 252: angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) 252: strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) 252: torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) 252: oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) 250: vdw ( 14.019, -3.165, 3.556) ( 14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 18 (-47.306, 52.205, 38.542) (-47.297, 52.209, 38.549) ( 0.02, 0.01, 0.02) 250: bond (-26.884, 35.751, 12.130) (-26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) 250: angle ( -0.081, -0.014, 0.005) ( -0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) 250: strbnd (-17.160, 20.000, 12.412) (-17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) 250: torsion ( -0.014, 0.019, -0.017) ( -0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) 250: oop ( -0.002, 0.006, -0.006) ( -0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 250: vdw ( -3.165, -3.556, 14.019) ( -3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 19 (-23.913, 8.348, 75.919) (-23.905, 8.353, 75.928) ( 0.03, 0.06, 0.01) 250: bond ( -7.494, 14.575, 43.256) ( -7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) 250: angle ( -0.029, 0.011, -0.077) ( -0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( -7.698, 4.670, 27.650) ( -7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) 250: torsion ( -0.018, -0.031, -0.018) ( -0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, -0.012, -0.004) ( -0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) 250: vdw ( -8.667, -10.865, 5.113) ( -8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( 23.900, 8.348, -75.934) ( 23.905, 8.353, -75.928) ( 0.02, 0.06, 0.01) 250: bond ( 7.487, 14.575, -43.264) ( 7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) 250: angle ( 0.026, 0.011, 0.075) ( 0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( 7.696, 4.670, -27.652) ( 7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) 250: torsion ( 0.018, -0.031, 0.017) ( 0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, -0.012, 0.004) ( 0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 8.667, -10.865, -5.113) ( 8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 21 ( 38.542, 47.292, -52.215) ( 38.549, 47.297, -52.209) ( 0.02, 0.01, 0.01) 250: bond ( 12.130, 26.876, -35.755) ( 12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) 250: angle ( 0.005, 0.078, 0.012) ( 0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) 250: strbnd ( 12.412, 17.157, -20.001) ( 12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) 250: torsion ( -0.017, 0.014, -0.020) ( -0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, 0.002, -0.006) ( -0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 14.019, 3.164, 3.556) ( 14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 ( 37.607, -0.007, 70.694) ( 37.611, 0.000, 70.701) ( 0.01, 0.00, 0.01) 250: bond ( 31.159, -0.003, 34.123) ( 31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) 250: angle ( 0.050, -0.002, 0.021) ( 0.051, 0.000, 0.022) ( 0.00, 0.00, 0.00) 250: strbnd ( 15.275, -0.001, 24.741) ( 15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) 250: torsion ( 0.020, -0.000, -0.007) ( 0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) 250: oop ( 0.010, -0.000, -0.005) ( 0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( -8.908, -0.000, 11.821) ( -8.908, 0.000, 11.821) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( 52.205, 38.542, -47.306) ( 52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) 250: bond ( 35.751, 12.130, -26.884) ( 35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) 251: bond ( 2.062, -0.697, 1.813) ( 2.066, -0.696, 1.817) ( 0.24, 0.04, 0.21) 251: angle ( 4.094, 8.524, -1.388) ( 4.094, 8.525, -1.388) ( 0.00, 0.01, 0.00) 251: strbnd ( -2.194, 1.376, -2.250) ( -2.194, 1.376, -2.250) ( 0.00, 0.01, 0.00) 251: torsion ( 0.001, -0.001, -0.001) ( 0.001, -0.001, -0.001) ( 0.00, 0.00, 0.00) 251: oop ( 0.002, -0.002, -0.003) ( 0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00) 251: vdw ( -4.811, 4.186, -5.523) ( -4.811, 4.186, -5.523) ( 0.00, 0.01, 0.00) 251: electro ( 0.951, -13.432, 7.439) ( 0.951, -13.432, 7.439) ( 0.00, 0.00, 0.00) 251: 13 ( 0.019, -0.062, 0.035) ( 0.022, -0.057, 0.038) ( 0.01, 0.03, 0.01) 251: bond ( -0.415, 6.996, -3.819) ( -0.413, 7.000, -3.818) ( 0.10, 0.06, 0.03) 251: angle ( 8.099, 0.357, 5.569) ( 8.100, 0.358, 5.570) ( 0.01, 0.02, 0.02) 251: strbnd ( -1.445, -0.164, -0.943) ( -1.445, -0.164, -0.943) ( 0.01, 0.00, 0.00) 251: torsion ( 0.096, 0.027, 0.051) ( 0.096, 0.027, 0.051) ( 0.00, 0.00, 0.00) 251: oop ( 0.002, -0.001, -0.003) ( 0.001, -0.001, -0.002) ( 0.00, 0.00, 0.00) 251: vdw ( -1.982, -2.198, -0.300) ( -1.982, -2.198, -0.300) ( 0.00, 0.00, 0.00) 251: electro ( -4.335, -5.079, -0.519) ( -4.335, -5.079, -0.519) ( 0.00, 0.00, 0.00) 251: 14 ( 0.006, 0.040, -0.035) ( 0.012, 0.045, -0.029) ( 0.00, 0.02, 0.02) 251: bond ( 2.536, -3.983, 3.794) ( 2.540, -3.979, 3.799) ( 0.17, 0.11, 0.12) 251: angle ( -4.065, 3.789, -4.804) ( -4.063, 3.791, -4.803) ( 0.05, 0.05, 0.04) 251: strbnd ( -0.833, 0.598, -0.890) ( -0.834, 0.596, -0.891) ( 0.05, 0.09, 0.05) 251: torsion ( -0.191, -0.892, 0.315) ( -0.191, -0.892, 0.315) ( 0.00, 0.01, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 6.216, 6.029, 1.376) ( 6.216, 6.029, 1.376) ( 0.00, 0.00, 0.00) 251: electro ( -3.657, -5.500, 0.174) ( -3.657, -5.500, 0.174) ( 0.00, 0.00, 0.00) 251: 15 ( -0.047, -0.022, 0.038) ( -0.042, -0.016, 0.044) ( 0.03, 0.01, 0.02) 251: bond ( -2.867, -2.743, -0.596) ( -2.863, -2.738, -0.591) ( 0.15, 0.16, 0.26) 251: angle ( 3.517, -2.080, 3.550) ( 3.519, -2.078, 3.552) ( 0.05, 0.09, 0.05) 251: strbnd ( 0.684, 0.667, 0.147) ( 0.683, 0.666, 0.146) ( 0.06, 0.04, 0.01) 251: torsion ( -1.441, 4.053, -3.064) ( -1.441, 4.053, -3.064) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.060, 0.081, 0.002) ( 0.060, 0.081, 0.002) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 16 ( -0.011, -0.078, 0.040) ( -0.010, -0.073, 0.042) ( 0.00, 0.05, 0.01) 251: bond ( -0.642, 8.502, -4.741) ( -0.642, 8.508, -4.739) ( 0.00, 0.07, 0.04) 251: angle ( -2.615, -0.955, -1.361) ( -2.614, -0.955, -1.360) ( 0.03, 0.02, 0.04) 251: strbnd ( 0.050, -9.018, 4.574) ( 0.050, -9.018, 4.574) ( 0.00, 0.00, 0.00) 251: torsion ( -0.000, 0.000, 0.000) ( -0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.486, -1.486, 1.804) ( 1.486, -1.486, 1.804) ( 0.00, 0.00, 0.00) 251: electro ( 1.710, 2.879, -0.236) ( 1.710, 2.879, -0.236) ( 0.00, 0.00, 0.00) 251: 17 ( -0.005, 0.002, -0.011) ( -0.004, 0.003, -0.007) ( 0.00, 0.00, 0.00) 251: bond ( -0.079, 0.242, 1.908) ( -0.079, 0.242, 1.911) ( 0.00, 0.00, 0.17) 251: angle ( -1.927, -2.302, 0.212) ( -1.927, -2.301, 0.212) ( 0.03, 0.03, 0.00) 251: strbnd ( 0.174, -0.470, 0.195) ( 0.174, -0.470, 0.195) ( 0.00, 0.00, 0.00) 251: torsion ( 0.269, -0.028, 0.015) ( 0.269, -0.028, 0.015) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: bond ( 20.776, 7.319, 0.909) ( 20.781, 7.324, 0.914) ( 0.02, 0.06, 0.43) 248: angle (-13.754, -4.812, -0.102) (-13.752, -4.809, -0.101) ( 0.01, 0.04, 0.02) 248: strbnd ( 12.427, 3.908, 0.157) ( 12.424, 3.908, 0.156) ( 0.02, 0.02, 0.01) 248: torsion ( -0.002, -0.005, 0.222) ( -0.002, -0.005, 0.222) ( 0.00, 0.00, 0.00) 248: oop ( -0.001, -0.001, 0.057) ( -0.000, -0.001, 0.042) ( 0.00, 0.00, 0.09) 248: vdw ( -1.953, -4.180, -0.065) ( -1.953, -4.180, -0.065) ( 0.00, 0.00, 0.00) 248: electro ( -0.796, 1.928, 0.020) ( -0.796, 1.928, 0.020) ( 0.00, 0.00, 0.00) 248: 13 (-13.757, -4.403, 1.127) (-13.752, -4.397, 1.147) ( 0.04, 0.15, 1.78) 248: bond (-22.923, -0.335, 0.145) (-22.919, -0.330, 0.150) ( 0.02, 0.16, 0.07) 248: angle ( 7.410, 2.850, -0.382) ( 7.411, 2.852, -0.380) ( 0.03, 0.07, 0.06) 248: strbnd ( 0.558, -0.831, -0.003) ( 0.557, -0.831, -0.003) ( 0.07, 0.03, 0.00) 248: torsion ( 0.051, -3.726, 1.437) ( 0.051, -3.726, 1.438) ( 0.00, 0.00, 0.01) 248: oop ( -0.001, -0.000, -0.079) ( -0.001, -0.000, -0.065) ( 0.00, 0.00, 0.11) 248: vdw ( 6.098, -3.967, 0.005) ( 6.098, -3.967, 0.005) ( 0.00, 0.00, 0.00) 248: electro ( -4.950, 1.606, 0.003) ( -4.950, 1.606, 0.003) ( 0.00, 0.00, 0.00) 248: 14 ( 9.355, -11.349, 3.836) ( 9.361, -11.344, 3.856) ( 0.06, 0.05, 0.53) 248: bond ( 11.197, -20.692, -0.065) ( 11.201, -20.688, -0.061) ( 0.04, 0.02, 0.03) 248: angle ( -3.458, 7.005, -0.620) ( -3.456, 7.007, -0.619) ( 0.06, 0.03, 0.09) 248: strbnd ( 0.022, 0.227, 0.010) ( 0.021, 0.226, 0.009) ( 0.00, 0.02, 0.00) 248: torsion ( 2.182, 1.253, 4.593) ( 2.182, 1.253, 4.593) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.001, -0.092) ( 0.000, -0.001, -0.078) ( 0.00, 0.00, 0.13) 248: vdw ( -4.679, 7.355, -0.008) ( -4.679, 7.355, -0.008) ( 0.00, 0.00, 0.00) 248: electro ( 4.091, -6.495, 0.019) ( 4.091, -6.495, 0.019) ( 0.00, 0.00, 0.00) 248: 15 ( -0.465, 5.538, 0.483) ( -0.465, 5.543, 0.432) ( 0.04, 0.09, 2.45) 248: bond ( -0.036, 7.926, 0.175) ( -0.036, 7.930, 0.175) ( 0.00, 0.05, 0.00) 248: angle ( -5.802, -0.026, -0.014) ( -5.802, -0.026, -0.014) ( 0.01, 0.00, 0.00) 248: strbnd ( 3.604, -0.129, -0.013) ( 3.604, -0.129, -0.013) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, -0.003, 0.136) ( 0.001, -0.003, 0.136) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.005, 0.223) ( 0.000, -0.004, 0.172) ( 0.00, 0.00, 1.13) 248: vdw ( 1.248, -1.217, -0.011) ( 1.248, -1.217, -0.011) ( 0.00, 0.00, 0.00) 248: electro ( 0.520, -1.008, -0.012) ( 0.520, -1.008, -0.012) ( 0.00, 0.00, 0.00) 248: 16 ( 3.795, -2.075, -0.170) ( 3.796, -2.072, -0.169) ( 0.02, 0.17, 0.01) 248: bond ( -0.033, -1.994, -0.084) ( -0.033, -1.991, -0.084) ( 0.00, 0.17, 0.00) 248: angle ( 5.569, -0.090, -0.056) ( 5.570, -0.090, -0.056) ( 0.01, 0.00, 0.00) 248: strbnd ( 2.049, 1.116, 0.067) ( 2.049, 1.116, 0.067) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, 0.000, -0.009) ( 0.000, 0.000, -0.009) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.791, -1.108, -0.087) ( -3.791, -1.108, -0.087) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 17 ( 3.734, 1.697, 3.317) ( 3.735, 1.697, 3.320) ( 0.03, 0.05, 0.08) 248: bond ( -0.653, 0.424, 1.150) ( -0.653, 0.424, 1.152) ( 0.05, 0.01, 0.21) 248: angle ( 4.116, 2.173, 1.530) ( 4.116, 2.174, 1.530) ( 0.01, 0.02, 0.01) 248: strbnd ( 2.185, 0.599, -0.219) ( 2.185, 0.599, -0.219) ( 0.00, 0.00, 0.00) 248: torsion ( 0.003, -0.008, 0.004) ( 0.003, -0.008, 0.004) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) 252: electro ( -0.100, -0.286, -0.023) ( -0.100, -0.286, -0.023) ( 0.00, 0.00, 0.00) 252: 18 ( 44.495, -1.551, 2.301) ( 44.490, -1.525, 2.423) ( 0.01, 1.69, 5.31) 252: bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) 252: angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) 252: strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) 252: torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) 252: oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) 252: vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) 252: electro ( -0.078, 0.101, -0.023) ( -0.078, 0.101, -0.023) ( 0.00, 0.00, 0.00) 252: 19 ( 69.047, 18.195, -0.422) ( 69.073, 18.159, -0.719) ( 0.04, 0.20, 12.52) 252: bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) 252: angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) 252: strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) 252: torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) 252: oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) 252: vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) 252: electro ( -0.186, -0.044, 0.051) ( -0.186, -0.044, 0.051) ( 0.00, 0.00, 0.00) 252: 20 (-66.666, 1.027, -3.814) (-66.673, 1.059, -3.645) ( 0.01, 3.11, 4.42) 252: bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) 252: angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) 252: strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) 252: torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) 252: oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) 252: vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) 252: electro ( 0.371, -0.228, 0.325) ( 0.371, -0.228, 0.325) ( 0.00, 0.00, 0.00) 252: 21 (-41.992, -33.111, 1.581) (-41.994, -33.087, 1.701) ( 0.00, 0.07, 7.60) 252: bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) 252: angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) 252: strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) 252: torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) 252: oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) 252: vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) 252: electro ( -1.339, -0.127, 0.128) ( -1.339, -0.127, 0.128) ( 0.00, 0.00, 0.00) 252: 22 (-10.516, 3.652, -0.202) (-10.513, 3.656, -0.202) ( 0.02, 0.11, 0.01) 252: bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) 252: angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) 252: strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) 252: torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) 252: electro ( 2.494, -0.076, -0.023) ( 2.494, -0.076, -0.023) ( 0.00, 0.00, 0.00) 252: 23 ( 1.691, 0.137, 0.101) ( 1.691, 0.137, 0.111) ( 0.01, 0.00, 0.10) 252: bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) 250: angle ( -0.014, 0.005, -0.081) ( -0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) 250: strbnd ( 20.000, 12.412, -17.160) ( 20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) 250: torsion ( 0.019, -0.017, -0.014) ( 0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, -0.006, -0.002) ( 0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( -3.556, 14.019, -3.165) ( -3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( -8.357, -75.934, 23.900) ( -8.353, -75.928, 23.905) ( 0.04, 0.01, 0.02) 250: bond (-14.578, -43.264, 7.487) (-14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) 250: angle ( -0.013, 0.075, 0.026) ( -0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( -4.671, -27.652, 7.696) ( -4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) 250: torsion ( 0.030, 0.017, 0.018) ( 0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.012, 0.004, 0.006) ( 0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 10.865, -5.113, 8.667) ( 10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 (-23.913, -8.357, -75.934) (-23.905, -8.353, -75.928) ( 0.03, 0.04, 0.01) 250: bond ( -7.494, -14.578, -43.264) ( -7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) 250: angle ( -0.029, -0.013, 0.075) ( -0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( -7.698, -4.671, -27.652) ( -7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) 250: torsion ( -0.018, 0.030, 0.017) ( -0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, 0.012, 0.004) ( -0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) 250: vdw ( -8.667, 10.865, -5.113) ( -8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 (-47.306, -52.215, 38.542) (-47.297, -52.209, 38.549) ( 0.02, 0.01, 0.02) 250: bond (-26.884, -35.755, 12.130) (-26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) 250: angle ( -0.081, 0.012, 0.005) ( -0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) 250: strbnd (-17.160, -20.001, 12.412) (-17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) 250: torsion ( -0.014, -0.020, -0.017) ( -0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) 250: oop ( -0.002, -0.006, -0.006) ( -0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) 250: vdw ( -3.165, 3.556, 14.019) ( -3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 27 ( 52.205, 38.542, 47.292) ( 52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) 250: bond ( 35.751, 12.130, 26.876) ( 35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) 250: angle ( -0.014, 0.005, 0.078) ( -0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) 250: strbnd ( 20.000, 12.412, 17.157) ( 20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) 250: torsion ( 0.019, -0.017, 0.014) ( 0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, -0.006, 0.002) ( 0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( -3.556, 14.019, 3.164) ( -3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 28 (-70.710, -37.613, -0.007) (-70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) 250: bond (-34.133, -31.161, -0.003) (-34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) 250: angle ( -0.024, -0.051, -0.002) ( -0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) 250: strbnd (-24.743, -15.277, -0.001) (-24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( 0.006, -0.022, -0.000) ( 0.006, -0.021, -0.000) ( 0.00, 0.00, 0.00) 250: oop ( 0.005, -0.010, -0.000) ( 0.005, -0.011, -0.000) ( 0.00, 0.00, 0.00) 250: vdw (-11.821, 8.908, -0.000) (-11.821, 8.908, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.559, 2.559, -2.340) ( 1.559, 2.559, -2.340) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 18 ( -0.013, 0.008, -0.002) ( -0.010, 0.010, -0.001) ( 0.00, 0.00, 0.00) 251: bond ( 1.600, -0.952, -0.465) ( 1.603, -0.952, -0.465) ( 0.15, 0.08, 0.01) 251: angle ( -1.585, -2.541, -0.266) ( -1.585, -2.540, -0.265) ( 0.01, 0.02, 0.01) 251: strbnd ( 0.041, -0.375, 0.383) ( 0.041, -0.375, 0.383) ( 0.00, 0.00, 0.00) 251: torsion ( 0.115, 0.081, 0.231) ( 0.115, 0.081, 0.231) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.184, 3.795, 0.115) ( -0.184, 3.795, 0.115) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 19 ( -0.003, 0.007, -0.003) ( -0.003, 0.010, -0.002) ( 0.00, 0.00, 0.00) 251: bond ( -0.011, -0.341, 0.161) ( -0.011, -0.338, 0.162) ( 0.00, 0.09, 0.01) 251: angle ( -0.425, -0.104, -0.247) ( -0.425, -0.104, -0.246) ( 0.02, 0.00, 0.01) 251: strbnd ( -0.183, -0.109, -0.074) ( -0.183, -0.109, -0.074) ( 0.00, 0.00, 0.00) 251: torsion ( -0.000, 0.000, 0.000) ( -0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.617, 0.560, 0.156) ( 0.617, 0.560, 0.156) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 20 ( 0.031, -0.017, -0.014) ( 0.033, -0.015, -0.014) ( 0.01, 0.00, 0.00) 251: bond ( -1.142, 0.665, 0.296) ( -1.140, 0.665, 0.296) ( 0.21, 0.05, 0.00) 251: angle ( -0.598, 0.006, -2.313) ( -0.598, 0.007, -2.313) ( 0.01, 0.00, 0.02) 251: strbnd ( 0.341, -0.436, -0.190) ( 0.341, -0.436, -0.190) ( 0.00, 0.00, 0.00) 251: torsion ( -0.100, -1.141, 2.178) ( -0.100, -1.141, 2.178) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.529, 0.890, 0.014) ( 1.529, 0.890, 0.014) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 21 ( 0.003, 0.010, -0.024) ( 0.003, 0.010, -0.020) ( 0.00, 0.00, 0.01) 251: bond ( 0.025, -0.167, -1.404) ( 0.025, -0.167, -1.400) ( 0.00, 0.00, 0.24) 251: angle ( -2.115, 1.092, -0.168) ( -2.114, 1.093, -0.168) ( 0.03, 0.04, 0.00) 251: strbnd ( -0.186, -0.062, 0.552) ( -0.186, -0.062, 0.552) ( 0.00, 0.00, 0.00) 251: torsion ( 1.253, -2.101, 0.273) ( 1.253, -2.101, 0.273) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.026, 1.247, 0.724) ( 1.026, 1.247, 0.724) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: ok 8 # gradients 251: ok 9 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : semdix.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 248: vdw ( -1.916, -1.492, 0.852) ( -1.916, -1.492, 0.852) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 18 ( 3.357, 1.877, -3.735) ( 3.358, 1.877, -3.733) ( 0.04, 0.05, 0.07) 248: bond ( -0.951, 0.766, -1.640) ( -0.950, 0.766, -1.638) ( 0.07, 0.04, 0.14) 248: angle ( 4.217, 2.283, -1.378) ( 4.217, 2.284, -1.377) ( 0.01, 0.02, 0.01) 248: strbnd ( 2.195, 0.574, 0.319) ( 2.195, 0.574, 0.319) ( 0.00, 0.00, 0.00) 248: torsion ( -0.003, 0.007, 0.005) ( -0.003, 0.007, 0.005) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.102, -1.754, -1.042) ( -2.101, -1.754, -1.042) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 19 ( -0.948, 1.749, -2.994) ( -0.947, 1.750, -2.991) ( 0.08, 0.04, 0.10) 248: bond ( 0.687, 0.547, -1.969) ( 0.688, 0.547, -1.967) ( 0.02, 0.01, 0.15) 248: angle ( -2.117, 0.190, -0.687) ( -2.116, 0.190, -0.687) ( 0.02, 0.01, 0.01) 248: strbnd ( -1.351, -0.031, 0.069) ( -1.351, -0.031, 0.069) ( 0.00, 0.00, 0.00) 248: torsion ( -0.009, 1.344, 0.371) ( -0.009, 1.344, 0.371) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.840, -0.300, -0.777) ( 1.840, -0.300, -0.777) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 20 ( 3.214, -1.427, 1.320) ( 3.215, -1.424, 1.320) ( 0.03, 0.21, 0.05) 248: bond ( 0.757, -1.956, 0.504) ( 0.757, -1.953, 0.504) ( 0.03, 0.15, 0.01) 248: angle ( -2.944, -1.085, 0.217) ( -2.943, -1.085, 0.218) ( 0.02, 0.01, 0.01) 248: strbnd ( -1.362, 0.055, -0.006) ( -1.362, 0.055, -0.006) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, -0.023, -0.087) ( -0.001, -0.023, -0.087) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 6.765, 1.580, 0.691) ( 6.765, 1.580, 0.691) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 21 ( 1.311, 2.298, 1.796) ( 1.312, 2.300, 1.798) ( 0.07, 0.08, 0.10) 248: bond ( 0.773, 1.536, 1.536) ( 0.773, 1.538, 1.538) ( 0.03, 0.10, 0.10) 248: angle ( -2.380, 0.642, 0.554) ( -2.380, 0.642, 0.554) ( 0.02, 0.02, 0.01) 248: strbnd ( -1.349, -0.045, -0.017) ( -1.349, -0.045, -0.017) ( 0.00, 0.00, 0.00) 248: torsion ( -0.034, 1.670, -1.653) ( -0.034, 1.670, -1.653) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.301, -1.506, 1.375) ( 4.301, -1.506, 1.375) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 ( -2.919, 0.875, 1.448) ( -2.916, 0.876, 1.450) ( 0.08, 0.06, 0.11) 248: bond ( -1.870, -0.110, 1.417) ( -1.868, -0.110, 1.418) ( 0.12, 0.00, 0.09) 248: angle ( 0.520, -2.593, 0.484) ( 0.520, -2.593, 0.484) ( 0.01, 0.02, 0.01) 248: strbnd ( 0.654, -1.205, 0.011) ( 0.654, -1.205, 0.011) ( 0.00, 0.00, 0.00) 248: torsion ( -1.476, -0.834, -2.010) ( -1.476, -0.834, -2.010) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.746, 5.617, 1.547) ( -0.746, 5.617, 1.547) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( -2.177, 4.626, 0.844) ( -2.175, 4.628, 0.845) ( 0.08, 0.05, 0.06) 248: bond ( 1.483, 1.776, 0.765) ( 1.485, 1.778, 0.766) ( 0.09, 0.10, 0.03) 252: angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) 252: strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) 252: torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) 252: oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) 252: vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) 252: electro ( -0.200, -0.165, -0.054) ( -0.200, -0.165, -0.054) ( 0.00, 0.00, 0.00) 252: 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) 252: bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) 252: angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) 252: strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) 252: torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) 252: bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) 252: angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) 252: strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) 252: torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) 252: bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) 252: angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) 252: strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) 252: torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) 252: bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) 252: angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) 252: strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) 252: torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) 252: bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) 252: angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) 252: strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) 252: torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 29 ( 23.900, -8.357, -75.934) ( 23.905, -8.353, -75.928) ( 0.02, 0.04, 0.01) 250: bond ( 7.487, -14.578, -43.264) ( 7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) 250: angle ( 0.026, -0.013, 0.075) ( 0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( 7.696, -4.671, -27.652) ( 7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) 250: torsion ( 0.018, 0.030, 0.017) ( 0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, 0.012, 0.004) ( 0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 8.667, 10.865, -5.113) ( 8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( 70.694, 37.607, -0.007) ( 70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) 250: bond ( 34.123, 31.159, -0.003) ( 34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) 250: angle ( 0.021, 0.050, -0.002) ( 0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) 250: strbnd ( 24.741, 15.275, -0.001) ( 24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( -0.007, 0.020, -0.000) ( -0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.005, 0.010, -0.000) ( -0.005, 0.011, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 11.821, -8.908, -0.000) ( 11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 31 ( 37.607, -0.007, -70.710) ( 37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) 250: bond ( 31.159, -0.003, -34.133) ( 31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) 250: angle ( 0.050, -0.002, -0.024) ( 0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) 250: strbnd ( 15.275, -0.001, -24.743) ( 15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) 250: torsion ( 0.020, -0.000, 0.006) ( 0.021, -0.000, 0.006) ( 0.00, 0.00, 0.00) 250: oop ( 0.010, -0.000, 0.005) ( 0.011, -0.000, 0.005) ( 0.00, 0.00, 0.00) 250: vdw ( -8.908, -0.000, -11.821) ( -8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 32 ( -8.357, 75.919, 23.900) ( -8.353, 75.928, 23.905) ( 0.04, 0.01, 0.02) 250: bond (-14.578, 43.256, 7.487) (-14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) 250: angle ( -0.013, -0.077, 0.026) ( -0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( -4.671, 27.650, 7.696) ( -4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) 250: torsion ( 0.030, -0.018, 0.018) ( 0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.012, -0.004, 0.006) ( 0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 10.865, 5.113, 8.667) ( 10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 33 (-23.913, -8.357, 75.919) (-23.905, -8.353, 75.928) ( 0.03, 0.04, 0.01) 250: bond ( -7.494, -14.578, 43.256) ( -7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) 250: angle ( -0.029, -0.013, -0.077) ( -0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( -7.698, -4.671, 27.650) ( -7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) 250: torsion ( -0.018, 0.030, -0.018) ( -0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, 0.012, -0.004) ( -0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) 250: vdw ( -8.667, 10.865, 5.113) ( -8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 34 ( 70.694, -37.613, -0.007) ( 70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) 250: bond ( 34.123, -31.161, -0.003) ( 34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) 250: angle ( 0.021, -0.051, -0.002) ( 0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) 250: strbnd ( 24.741, -15.277, -0.001) ( 24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) 248: angle ( 2.624, -2.307, 0.268) ( 2.625, -2.307, 0.268) ( 0.01, 0.01, 0.01) 248: strbnd ( 0.634, -1.241, -0.006) ( 0.634, -1.242, -0.006) ( 0.00, 0.00, 0.00) 248: torsion ( 0.519, 0.264, -1.620) ( 0.519, 0.264, -1.620) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -7.437, 6.134, 1.436) ( -7.437, 6.134, 1.436) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( -0.385, -1.508, -3.050) ( -0.385, -1.508, -3.047) ( 0.03, 0.04, 0.10) 248: bond ( -0.615, 0.404, -1.895) ( -0.615, 0.404, -1.892) ( 0.02, 0.01, 0.16) 248: angle ( 0.873, -1.806, -0.669) ( 0.873, -1.806, -0.669) ( 0.04, 0.03, 0.01) 248: strbnd ( 0.665, -1.206, 0.041) ( 0.665, -1.206, 0.041) ( 0.00, 0.00, 0.00) 248: torsion ( -0.796, -0.434, 0.166) ( -0.796, -0.434, 0.166) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.512, 1.534, -0.692) ( -0.512, 1.534, -0.692) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 20 # gradients 248: ok 21 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 251: 1 ( -0.039, -0.073, 0.047) ( -0.036, -0.064, 0.051) ( 0.01, 0.06, 0.02) 251: bond ( -7.512, 1.783, -2.223) ( -7.509, 1.791, -2.220) ( 0.04, 0.44, 0.14) 251: angle ( 9.520, 8.593, 6.171) ( 9.521, 8.594, 6.173) ( 0.01, 0.01, 0.03) 251: strbnd (-12.566, 3.932, -2.829) (-12.567, 3.932, -2.830) ( 0.00, 0.01, 0.02) 251: torsion ( 0.272, 0.999, -0.774) ( 0.272, 0.999, -0.774) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 8.163, -13.337, -0.869) ( 8.163, -13.337, -0.869) ( 0.00, 0.00, 0.00) 251: electro ( 2.084, -2.043, 0.571) ( 2.084, -2.043, 0.571) ( 0.00, 0.00, 0.00) 251: 2 ( -0.001, -0.011, 0.004) ( 0.000, -0.009, 0.007) ( 0.00, 0.00, 0.00) 251: bond ( 0.455, 0.358, -0.667) ( 0.457, 0.359, -0.665) ( 0.05, 0.03, 0.16) 251: angle ( 4.611, -3.755, 1.139) ( 4.612, -3.754, 1.139) ( 0.01, 0.02, 0.02) 251: strbnd ( -0.238, 1.721, 0.675) ( -0.238, 1.720, 0.675) ( 0.00, 0.00, 0.01) 251: torsion ( 0.420, -0.286, 0.134) ( 0.420, -0.286, 0.134) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 3.879, -9.651, 0.860) ( 3.879, -9.651, 0.860) ( 0.00, 0.00, 0.00) 251: electro ( -9.129, 11.602, -2.137) ( -9.129, 11.602, -2.137) ( 0.00, 0.00, 0.00) 251: 3 ( 0.003, -0.013, 0.006) ( 0.004, -0.007, 0.006) ( 0.00, 0.01, 0.00) 251: bond ( 0.045, -0.386, -0.051) ( 0.045, -0.380, -0.051) ( 0.00, 0.23, 0.00) 251: angle ( -3.619, -0.541, 0.864) ( -3.619, -0.541, 0.864) ( 0.02, 0.00, 0.03) 251: strbnd ( -0.660, 0.252, -0.120) ( -0.660, 0.252, -0.120) ( 0.00, 0.00, 0.00) 251: torsion ( -0.212, -0.151, 0.948) ( -0.212, -0.151, 0.948) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.344, -0.504, 0.445) ( 1.344, -0.504, 0.445) ( 0.00, 0.00, 0.00) 251: electro ( 3.105, 1.317, -2.081) ( 3.105, 1.317, -2.081) ( 0.00, 0.00, 0.00) 251: 4 ( 0.044, 0.056, -0.067) ( 0.045, 0.058, -0.063) ( 0.01, 0.01, 0.02) 251: bond ( -0.400, -0.524, 0.650) ( -0.398, -0.522, 0.653) ( 0.04, 0.10, 0.20) 251: angle ( -5.854, 2.869, -1.277) ( -5.853, 2.870, -1.277) ( 0.01, 0.01, 0.01) 251: strbnd ( -1.135, -0.538, 0.610) ( -1.135, -0.538, 0.610) ( 0.01, 0.01, 0.01) 251: torsion ( 0.032, -0.698, -0.538) ( 0.032, -0.698, -0.538) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 10.552, -8.215, 3.363) ( 10.552, -8.215, 3.363) ( 0.00, 0.00, 0.00) 251: electro ( -3.151, 7.161, -2.875) ( -3.151, 7.161, -2.875) ( 0.00, 0.00, 0.00) 251: 5 ( -0.016, -0.032, -0.036) ( -0.011, -0.028, -0.031) ( 0.01, 0.02, 0.02) 251: bond ( 8.665, -5.869, -2.407) ( 8.668, -5.866, -2.405) ( 0.03, 0.04, 0.11) 251: angle ( 14.891, -11.135, -0.108) ( 14.893, -11.133, -0.105) ( 0.02, 0.02, 0.03) 251: strbnd ( -4.622, 7.292, -0.077) ( -4.623, 7.291, -0.078) ( 0.02, 0.01, 0.01) 251: torsion ( 0.115, -0.478, 0.649) ( 0.115, -0.478, 0.649) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.615, -0.366, 0.687) ( 0.615, -0.366, 0.687) ( 0.00, 0.00, 0.00) 251: electro (-19.678, 10.524, 1.221) (-19.678, 10.524, 1.221) ( 0.00, 0.00, 0.00) 251: 6 ( -0.030, 0.012, 0.002) ( -0.026, 0.016, 0.008) ( 0.01, 0.01, 0.00) 251: bond ( -5.107, 28.856, -3.817) ( -5.104, 28.859, -3.812) ( 0.06, 0.01, 0.13) 251: angle (-16.294, -14.070, -0.576) (-16.291, -14.068, -0.574) ( 0.02, 0.02, 0.12) 251: strbnd ( 14.404, -7.085, 3.027) ( 14.402, -7.086, 3.026) ( 0.01, 0.01, 0.02) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) 252: bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) 252: angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) 252: strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) 252: torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) 252: bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) 252: angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) 252: strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) 252: torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) 252: bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) 252: angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) 252: strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) 252: torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) 252: bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) 252: angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) 252: strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) 252: torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) 252: bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) 252: angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) 252: strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) 252: torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) 252: bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) 252: angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) 250: torsion ( -0.007, -0.022, -0.000) ( -0.006, -0.021, 0.000) ( 0.00, 0.00, 0.00) 250: oop ( -0.005, -0.010, -0.000) ( -0.005, -0.011, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 11.821, 8.908, -0.000) ( 11.821, 8.908, -0.000) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 35 (-52.215, 38.542, -47.306) (-52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) 250: bond (-35.755, 12.130, -26.884) (-35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) 250: angle ( 0.012, 0.005, -0.081) ( 0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) 250: strbnd (-20.001, 12.412, -17.160) (-20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) 250: torsion ( -0.020, -0.017, -0.014) ( -0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, -0.006, -0.002) ( -0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 3.556, 14.019, -3.165) ( 3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 36 (-52.215, 38.542, 47.292) (-52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) 250: bond (-35.755, 12.130, 26.876) (-35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) 250: angle ( 0.012, 0.005, 0.078) ( 0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) 250: strbnd (-20.001, 12.412, 17.157) (-20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) 250: torsion ( -0.020, -0.017, 0.014) ( -0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, -0.006, 0.002) ( -0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 3.556, 14.019, 3.164) ( 3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 37 (-37.613, -0.007, 70.694) (-37.611, -0.000, 70.701) ( 0.01, 0.00, 0.01) 250: bond (-31.161, -0.003, 34.123) (-31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) 250: angle ( -0.051, -0.002, 0.021) ( -0.051, -0.000, 0.022) ( 0.00, 0.00, 0.00) 250: strbnd (-15.277, -0.001, 24.741) (-15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) 250: torsion ( -0.022, -0.000, -0.007) ( -0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) 250: oop ( -0.010, -0.000, -0.005) ( -0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 8.908, -0.000, 11.821) ( 8.908, -0.000, 11.821) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 38 (-52.215, -38.554, -47.306) (-52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) 250: bond (-35.755, -12.136, -26.884) (-35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) 250: angle ( 0.012, -0.007, -0.081) ( 0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) 250: strbnd (-20.001, -12.414, -17.160) (-20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) 250: torsion ( -0.020, 0.017, -0.014) ( -0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, 0.005, -0.002) ( -0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 3.556, -14.019, -3.165) ( 3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 39 (-52.215, -38.554, 47.292) (-52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) 250: bond (-35.755, -12.136, 26.876) (-35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) 250: angle ( 0.012, -0.007, 0.078) ( 0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) 250: strbnd (-20.001, -12.414, 17.157) (-20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) 250: torsion ( -0.020, 0.017, 0.014) ( -0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) 250: oop ( -0.006, 0.005, 0.002) ( -0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 3.556, -14.019, 3.164) ( 3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 1 ( 0.967, 0.259, -0.197) ( 0.972, 0.264, -0.191) ( 0.49, 0.14, 0.12) 248: bond ( 0.905, 2.623, 8.120) ( 0.909, 2.627, 8.124) ( 0.37, 0.15, 0.05) 248: angle ( 7.385, 0.772, -9.892) ( 7.388, 0.774, -9.889) ( 0.03, 0.16, 0.02) 248: strbnd ( 0.181, 1.490, -0.840) ( 0.180, 1.489, -0.841) ( 0.02, 0.06, 0.05) 248: torsion ( -3.658, -1.057, 2.616) ( -3.658, -1.057, 2.616) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.221, -3.068, -0.045) ( -3.221, -3.068, -0.045) ( 0.00, 0.00, 0.00) 248: electro ( -0.625, -0.501, -0.156) ( -0.625, -0.501, -0.156) ( 0.00, 0.00, 0.00) 248: 2 ( 0.736, 0.034, 0.004) ( 0.742, 0.039, 0.010) ( 0.41, 0.02, 0.00) 248: bond ( 11.123, -1.351, -2.048) ( 11.127, -1.347, -2.044) ( 0.04, 0.29, 0.21) 248: angle ( -8.045, 1.278, 9.737) ( -8.043, 1.280, 9.739) ( 0.03, 0.16, 0.02) 248: strbnd ( 0.965, -2.280, 1.631) ( 0.965, -2.281, 1.630) ( 0.07, 0.04, 0.02) 248: torsion ( 4.294, 0.736, -3.479) ( 4.294, 0.736, -3.478) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -7.601, 1.652, -5.836) ( -7.601, 1.652, -5.836) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( 0.562, 0.076, -0.092) ( 0.566, 0.081, -0.087) ( 0.27, 0.04, 0.05) 248: bond ( 6.097, -9.677, 17.390) ( 6.101, -9.673, 17.394) ( 0.06, 0.04, 0.02) 248: angle ( -1.378, 4.252, -13.110) ( -1.376, 4.254, -13.108) ( 0.15, 0.05, 0.02) 248: strbnd ( 0.257, 0.181, -0.552) ( 0.256, 0.180, -0.552) ( 0.03, 0.01, 0.03) 248: torsion ( -0.355, 2.764, 0.802) ( -0.355, 2.764, 0.802) ( 0.00, 0.00, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.059, 2.557, -4.623) ( -4.059, 2.557, -4.623) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 4 ( 1.701, 0.453, 0.308) ( 1.706, 0.472, 0.382) ( 0.30, 0.89, 2.27) 248: bond ( 8.642, 10.885, -8.146) ( 8.646, 10.889, -8.142) ( 0.04, 0.04, 0.05) 248: angle ( -7.598, -8.113, 12.883) ( -7.596, -8.111, 12.884) ( 0.03, 0.02, 0.01) 248: strbnd ( -1.384, 1.903, -1.050) ( -1.385, 1.903, -1.050) ( 0.08, 0.03, 0.05) 248: torsion ( 3.685, 2.177, -4.847) ( 3.685, 2.177, -4.846) ( 0.00, 0.00, 0.00) 248: oop ( -0.002, -0.088, -0.446) ( -0.002, -0.075, -0.377) ( 0.00, 0.12, 3.03) 248: vdw ( -1.895, -6.707, 1.430) ( -1.894, -6.706, 1.430) ( 0.00, 0.00, 0.00) 248: electro ( 0.253, 0.395, 0.484) ( 0.253, 0.395, 0.484) ( 0.00, 0.00, 0.00) 248: 5 ( -7.881, 4.561, -0.394) ( -7.870, 4.527, -0.600) ( 0.14, 0.76, 8.12) 248: bond (-12.705, 14.137, -1.636) (-12.697, 14.141, -1.636) ( 0.06, 0.03, 0.02) 248: angle ( 1.253, 3.126, -9.477) ( 1.254, 3.128, -9.476) ( 0.12, 0.05, 0.01) 248: strbnd ( 1.419, -3.117, 0.027) ( 1.419, -3.117, 0.027) ( 0.04, 0.02, 0.00) 248: torsion ( -0.255, 1.581, 7.797) ( -0.255, 1.581, 7.798) ( 0.00, 0.00, 0.01) 248: oop ( -0.011, 0.244, 1.272) ( -0.008, 0.203, 1.063) ( 0.00, 0.98, 16.38) 248: vdw ( 0.999, -11.742, 1.783) ( 0.999, -11.742, 1.783) ( 0.02, 0.00, 0.00) 248: electro ( 1.419, 0.332, -0.159) ( 1.419, 0.332, -0.159) ( 0.00, 0.00, 0.00) 248: 6 ( 8.807, -4.640, 1.194) ( 8.816, -4.626, 1.216) ( 0.11, 0.29, 1.77) 248: bond ( 3.884, 4.853, -0.204) ( 3.892, 4.858, -0.204) ( 0.19, 0.11, 0.01) 248: angle ( 1.621, -0.921, 2.154) ( 1.622, -0.919, 2.155) ( 0.08, 0.16, 0.02) 248: strbnd ( -1.690, 1.656, -0.349) ( -1.691, 1.655, -0.349) ( 0.04, 0.03, 0.00) 251: torsion ( 0.382, -0.345, 0.073) ( 0.382, -0.345, 0.073) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 6.585, -7.344, 1.295) ( 6.585, -7.344, 1.295) ( 0.00, 0.00, 0.01) 251: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 7 ( -0.008, 0.056, 0.024) ( -0.002, 0.062, 0.028) ( 0.00, 0.03, 0.01) 251: bond (-17.495, -2.527, 22.456) (-17.491, -2.523, 22.459) ( 0.02, 0.17, 0.01) 251: angle ( 6.906, 4.793, -20.315) ( 6.908, 4.795, -20.313) ( 0.03, 0.05, 0.01) 251: strbnd ( -0.312, 0.860, -1.629) ( -0.313, 0.860, -1.630) ( 0.02, 0.06, 0.07) 251: torsion ( 0.078, 0.540, 0.603) ( 0.078, 0.540, 0.603) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.365, 6.410, -7.993) ( 0.365, 6.411, -7.993) ( 0.01, 0.00, 0.00) 251: electro ( 10.449, -10.021, 6.902) ( 10.449, -10.021, 6.902) ( 0.00, 0.00, 0.00) 251: 8 ( -0.016, 0.021, 0.017) ( -0.011, 0.026, 0.023) ( 0.01, 0.01, 0.01) 251: bond ( 5.818, -7.958, 2.136) ( 5.822, -7.954, 2.140) ( 0.08, 0.05, 0.20) 251: angle ( -9.508, 5.167, 2.401) ( -9.507, 5.169, 2.402) ( 0.02, 0.04, 0.07) 251: strbnd ( -1.075, -2.063, 3.999) ( -1.075, -2.064, 3.999) ( 0.05, 0.04, 0.01) 251: torsion ( 1.216, 0.373, -0.759) ( 1.216, 0.373, -0.759) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 3.533, 4.502, -7.760) ( 3.533, 4.502, -7.760) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 9 ( -0.034, 0.039, 0.014) ( -0.028, 0.044, 0.018) ( 0.02, 0.02, 0.01) 251: bond (-10.691, -17.476, -11.199) (-10.687, -17.472, -11.195) ( 0.04, 0.02, 0.03) 251: angle ( 6.844, 25.523, 4.420) ( 6.847, 25.525, 4.423) ( 0.03, 0.01, 0.05) 251: strbnd ( -0.703, -2.771, 2.914) ( -0.704, -2.772, 2.913) ( 0.03, 0.03, 0.04) 251: torsion ( -1.271, 0.298, -0.007) ( -1.271, 0.298, -0.007) ( 0.01, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.611, 6.133, 7.845) ( -0.611, 6.133, 7.845) ( 0.01, 0.00, 0.00) 251: electro ( 6.398, -11.668, -3.961) ( 6.398, -11.668, -3.961) ( 0.00, 0.00, 0.00) 251: 10 ( -0.043, 0.023, -0.058) ( -0.037, 0.029, -0.053) ( 0.03, 0.01, 0.03) 251: bond ( 2.273, 4.210, -7.157) ( 2.278, 4.215, -7.153) ( 0.20, 0.11, 0.06) 251: angle ( -4.782, -9.381, 5.110) ( -4.780, -9.380, 5.112) ( 0.04, 0.02, 0.04) 251: strbnd ( -0.590, -1.767, -5.703) ( -0.590, -1.768, -5.704) ( 0.03, 0.02, 0.02) 251: torsion ( 0.624, 0.972, 0.410) ( 0.624, 0.972, 0.410) ( 0.00, 0.01, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.432, 5.989, 7.283) ( 2.432, 5.989, 7.283) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 11 ( 0.006, -0.014, 0.008) ( 0.010, -0.008, 0.014) ( 0.00, 0.01, 0.00) 251: bond ( 18.679, -2.807, -6.521) ( 18.682, -2.803, -6.517) ( 0.02, 0.16, 0.07) 251: angle (-21.205, 14.183, 9.289) (-21.203, 14.185, 9.291) ( 0.01, 0.01, 0.02) 251: strbnd ( 1.878, -2.321, -3.338) ( 1.877, -2.322, -3.338) ( 0.08, 0.02, 0.02) 251: torsion ( 0.229, -0.649, -0.324) ( 0.229, -0.649, -0.324) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -9.496, -1.546, -1.456) ( -9.496, -1.546, -1.456) ( 0.00, 0.01, 0.01) 251: electro ( 9.922, -6.874, 2.359) ( 9.922, -6.874, 2.359) ( 0.00, 0.00, 0.00) 251: 12 ( -0.001, 0.032, 0.005) ( 0.005, 0.038, 0.010) ( 0.00, 0.02, 0.00) 252: torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 35 ( 1.245, -1.321, 0.243) ( 1.246, -1.318, 0.245) ( 0.14, 0.22, 0.04) 252: bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) 252: angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) 252: strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) 252: torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) 252: electro ( 0.168, 0.031, 0.005) ( 0.168, 0.031, 0.005) ( 0.00, 0.00, 0.00) 252: 36 ( -2.391, 0.421, -0.415) ( -2.388, 0.421, -0.415) ( 0.15, 0.03, 0.01) 252: bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) 252: angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) 252: strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) 252: torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) 252: electro ( 0.194, -0.038, 0.022) ( 0.194, -0.038, 0.022) ( 0.00, 0.00, 0.00) 252: 37 ( -1.434, 2.065, -0.475) ( -1.433, 2.068, -0.473) ( 0.07, 0.16, 0.09) 252: bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) 252: angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) 252: strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) 252: vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) 252: electro ( -0.004, -0.149, 0.017) ( -0.004, -0.149, 0.017) ( 0.00, 0.00, 0.00) 252: 38 ( 1.261, -0.145, 0.322) ( 1.263, -0.142, 0.326) ( 0.13, 0.04, 0.10) 252: bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) 252: angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) 252: strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) 252: torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) 252: oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) 252: electro ( -0.324, 0.454, -0.114) ( -0.324, 0.454, -0.114) ( 0.00, 0.00, 0.00) 252: 39 ( 8.893, -15.193, 1.966) ( 8.900, -15.196, 1.907) ( 0.09, 0.02, 2.99) 252: bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) 252: angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) 252: strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) 252: torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) 252: oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) 252: vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) 252: electro ( -1.565, 0.871, -0.073) ( -1.565, 0.871, -0.073) ( 0.00, 0.00, 0.00) 252: ok 2 # gradients 252: ok 3 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: 40 ( 23.900, -8.357, 75.919) ( 23.905, -8.353, 75.928) ( 0.02, 0.04, 0.01) 250: bond ( 7.487, -14.578, 43.256) ( 7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) 250: angle ( 0.026, -0.013, -0.077) ( 0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( 7.696, -4.671, 27.650) ( 7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) 250: torsion ( 0.018, 0.030, -0.018) ( 0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, 0.012, -0.004) ( 0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 8.667, 10.865, 5.113) ( 8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 41 (-54.913, -35.524, -24.139) (-54.905, -35.518, -24.134) ( 0.02, 0.02, 0.02) 250: bond (-26.884, -35.755, -12.136) (-26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) 250: angle ( 8.310, 2.328, 1.428) ( 8.312, 2.330, 1.429) ( 0.02, 0.05, 0.09) 250: strbnd (-33.157, -3.794, -2.400) (-33.157, -3.793, -2.399) ( 0.00, 0.02, 0.04) 250: torsion ( -0.015, -1.854, 2.983) ( -0.015, -1.853, 2.983) ( 0.00, 0.03, 0.01) 250: oop ( -0.002, -0.006, 0.005) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 250: vdw ( -3.165, 3.556, -14.019) ( -3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 42 ( 3.504, 53.443, 17.121) ( 3.509, 53.448, 17.126) ( 0.15, 0.01, 0.02) 250: bond (-12.452, 26.530, 26.356) (-12.448, 26.533, 26.357) ( 0.04, 0.01, 0.01) 250: angle ( -9.977, -5.385, -2.072) ( -9.975, -5.383, -2.071) ( 0.02, 0.04, 0.05) 250: strbnd ( 29.601, 21.773, 10.437) ( 29.601, 21.772, 10.438) ( 0.00, 0.00, 0.00) 250: torsion ( 1.442, 1.853, -6.723) ( 1.442, 1.853, -6.722) ( 0.02, 0.02, 0.01) 250: oop ( 0.004, 0.006, -0.012) ( 0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -5.113, 8.667, -10.865) ( -5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 43 ( 47.292, -52.215, -38.554) ( 47.297, -52.209, -38.549) ( 0.01, 0.01, 0.01) 250: bond ( 26.876, -35.755, -12.136) ( 26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) 250: angle ( 0.078, 0.012, -0.007) ( 0.079, 0.013, -0.006) ( 0.01, 0.00, 0.00) 250: strbnd ( 17.157, -20.001, -12.414) ( 17.159, -20.000, -12.413) ( 0.01, 0.00, 0.01) 250: torsion ( 0.014, -0.020, 0.017) ( 0.014, -0.019, 0.017) ( 0.00, 0.00, 0.00) 250: oop ( 0.002, -0.006, 0.005) ( 0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 250: vdw ( 3.164, 3.556, -14.019) ( 3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 44 ( 8.348, 75.919, -23.913) ( 8.353, 75.928, -23.905) ( 0.06, 0.01, 0.03) 250: bond ( 14.575, 43.256, -7.494) ( 14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) 250: angle ( 0.011, -0.077, -0.029) ( 0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( 4.670, 27.650, -7.698) ( 4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) 250: torsion ( -0.031, -0.018, -0.018) ( -0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.012, -0.004, -0.006) ( -0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) 250: vdw (-10.865, 5.113, -8.667) (-10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 45 ( -8.357, 75.919, -23.913) ( -8.353, 75.928, -23.905) ( 0.04, 0.01, 0.03) 250: bond (-14.578, 43.256, -7.494) (-14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) 250: angle ( -0.013, -0.077, -0.029) ( -0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( -4.671, 27.650, -7.698) ( -4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) 250: torsion ( 0.030, -0.018, -0.018) ( 0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) 251: bond ( 1.992, 4.956, 6.984) ( 1.996, 4.961, 6.989) ( 0.21, 0.09, 0.06) 251: angle ( 3.962, -6.006, -8.362) ( 3.964, -6.004, -8.360) ( 0.04, 0.03, 0.02) 251: strbnd ( 4.498, 2.135, 1.871) ( 4.497, 2.135, 1.870) ( 0.01, 0.03, 0.04) 251: torsion ( -1.062, 0.377, 0.291) ( -1.062, 0.377, 0.291) ( 0.01, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -9.391, -1.430, -0.779) ( -9.391, -1.430, -0.779) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 13 ( 0.009, 0.002, 0.000) ( 0.010, 0.004, 0.003) ( 0.00, 0.00, 0.00) 251: bond ( 0.237, 0.694, 1.067) ( 0.237, 0.695, 1.069) ( 0.00, 0.07, 0.22) 251: angle ( -2.166, 2.271, -0.996) ( -2.166, 2.271, -0.996) ( 0.03, 0.02, 0.02) 251: strbnd ( -0.528, 2.326, -1.506) ( -0.528, 2.326, -1.506) ( 0.00, 0.00, 0.00) 251: torsion ( -0.333, 0.625, -0.333) ( -0.333, 0.625, -0.333) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.799, -5.914, 1.768) ( 2.799, -5.914, 1.768) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 14 ( 0.001, -0.041, -0.025) ( 0.002, -0.038, -0.023) ( 0.00, 0.01, 0.00) 251: bond ( 0.121, 0.978, 0.855) ( 0.121, 0.980, 0.856) ( 0.00, 0.19, 0.12) 251: angle ( -0.835, -2.814, 3.339) ( -0.835, -2.814, 3.339) ( 0.04, 0.01, 0.01) 251: strbnd ( -1.501, -1.444, 1.827) ( -1.501, -1.444, 1.827) ( 0.00, 0.00, 0.00) 251: torsion ( -0.525, 0.316, -0.288) ( -0.525, 0.316, -0.288) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.741, 2.922, -5.758) ( 2.741, 2.922, -5.758) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 15 ( -0.009, -0.007, -0.008) ( -0.006, -0.006, -0.008) ( 0.00, 0.00, 0.00) 251: bond ( 2.025, 0.488, 0.203) ( 2.028, 0.489, 0.203) ( 0.16, 0.01, 0.00) 251: angle ( 0.918, -6.276, 5.935) ( 0.918, -6.276, 5.935) ( 0.00, 0.01, 0.01) 251: strbnd ( 0.315, -0.157, 2.848) ( 0.315, -0.157, 2.848) ( 0.00, 0.00, 0.00) 251: torsion ( 0.156, -0.632, -0.038) ( 0.156, -0.632, -0.038) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -3.424, 6.571, -8.956) ( -3.423, 6.571, -8.956) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 16 ( 0.004, -0.019, -0.010) ( 0.005, -0.017, -0.009) ( 0.00, 0.00, 0.00) 251: bond ( -0.003, -0.033, -0.027) ( -0.003, -0.031, -0.026) ( 0.00, 0.01, 0.00) 251: angle ( 0.672, -2.508, 2.974) ( 0.672, -2.507, 2.974) ( 0.03, 0.01, 0.01) 251: strbnd ( 0.326, -0.072, 0.486) ( 0.326, -0.072, 0.486) ( 0.00, 0.00, 0.00) 251: torsion ( -0.349, -0.122, 0.183) ( -0.349, -0.122, 0.183) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.641, 2.715, -3.627) ( -0.641, 2.716, -3.627) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 17 ( -0.002, -0.006, -0.010) ( -0.001, -0.005, -0.007) ( 0.00, 0.00, 0.00) 251: bond ( -0.770, -0.513, 1.530) ( -0.769, -0.513, 1.533) ( 0.05, 0.01, 0.16) 251: angle ( 0.484, -0.101, 0.210) ( 0.485, -0.100, 0.210) ( 0.02, 0.00, 0.00) 251: strbnd ( 0.903, -0.019, -1.089) ( 0.903, -0.019, -1.089) ( 0.00, 0.00, 0.00) 251: torsion ( -0.167, -0.152, -0.135) ( -0.167, -0.152, -0.135) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.062, -0.722, -2.668) ( -0.062, -0.722, -2.667) ( 0.00, 0.00, 0.04) 248: oop ( -0.011, -0.030, -0.074) ( -0.010, -0.023, -0.055) ( 0.00, 0.02, 0.14) 248: vdw ( 4.938, -9.590, 2.718) ( 4.938, -9.589, 2.718) ( 0.00, 0.00, 0.00) 248: electro ( 0.127, 0.114, -0.383) ( 0.127, 0.114, -0.383) ( 0.00, 0.00, 0.00) 248: 7 ( -0.810, 0.444, -0.283) ( -0.806, 0.452, -0.254) ( 0.32, 0.37, 0.83) 248: bond (-11.282, 11.208, 0.541) (-11.278, 11.212, 0.545) ( 0.04, 0.03, 0.24) 248: angle ( 9.286, -4.053, -3.402) ( 9.288, -4.051, -3.400) ( 0.02, 0.05, 0.04) 248: strbnd ( 0.811, -0.072, -0.853) ( 0.810, -0.073, -0.854) ( 0.06, 0.01, 0.03) 248: torsion ( -1.331, -0.869, 0.696) ( -1.331, -0.869, 0.696) ( 0.00, 0.00, 0.02) 248: oop ( 0.009, -0.020, -0.131) ( 0.007, -0.017, -0.108) ( 0.00, 0.01, 0.31) 248: vdw ( 0.881, -5.592, 2.703) ( 0.881, -5.592, 2.703) ( 0.01, 0.00, 0.00) 248: electro ( 0.815, -0.158, 0.163) ( 0.815, -0.158, 0.163) ( 0.00, 0.00, 0.00) 248: 8 ( 0.736, 0.178, 0.067) ( 0.740, 0.183, 0.072) ( 0.35, 0.09, 0.04) 248: bond ( -1.261, -2.729, -19.147) ( -1.258, -2.725, -19.143) ( 0.27, 0.13, 0.02) 248: angle ( -9.942, 7.503, 26.405) ( -9.940, 7.505, 26.407) ( 0.02, 0.03, 0.01) 248: strbnd ( 4.138, 2.113, 0.872) ( 4.137, 2.112, 0.871) ( 0.02, 0.04, 0.03) 248: torsion ( 2.267, -2.809, -7.166) ( 2.267, -2.809, -7.166) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 5.533, -3.900, -0.897) ( 5.533, -3.899, -0.897) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 9 ( 0.364, 0.232, -0.008) ( 0.369, 0.237, -0.002) ( 0.20, 0.11, 0.00) 248: bond ( -6.983, 11.163, 5.799) ( -6.980, 11.166, 5.803) ( 0.06, 0.03, 0.07) 248: angle ( 6.589, 0.564, -10.864) ( 6.592, 0.566, -10.862) ( 0.04, 0.12, 0.02) 248: strbnd ( -4.331, -9.696, 0.323) ( -4.332, -9.697, 0.323) ( 0.02, 0.01, 0.01) 248: torsion ( 0.192, 1.536, 1.287) ( 0.192, 1.536, 1.287) ( 0.00, 0.00, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.897, -3.334, 3.446) ( 4.897, -3.334, 3.447) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 10 ( 0.279, 0.320, 0.215) ( 0.284, 0.326, 0.221) ( 0.13, 0.18, 0.13) 248: bond ( 3.926, 16.947, -8.842) ( 3.929, 16.951, -8.838) ( 0.09, 0.02, 0.05) 248: angle ( -6.642, -8.727, 8.491) ( -6.640, -8.725, 8.493) ( 0.03, 0.02, 0.02) 248: strbnd ( -1.913, -4.925, 2.830) ( -1.914, -4.925, 2.830) ( 0.05, 0.01, 0.02) 248: torsion ( -1.013, -0.173, -1.195) ( -1.013, -0.173, -1.195) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 5.922, -2.802, -1.070) ( 5.922, -2.802, -1.070) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 11 ( 0.045, 0.535, 0.496) ( 0.051, 0.539, 0.502) ( 0.03, 0.24, 0.29) 248: bond (-22.008, -2.471, -8.891) (-22.004, -2.468, -8.886) ( 0.02, 0.14, 0.05) 248: angle ( 15.128, 5.024, 5.636) ( 15.130, 5.026, 5.638) ( 0.01, 0.04, 0.03) 248: strbnd ( 6.334, 1.549, 3.089) ( 6.333, 1.548, 3.089) ( 0.01, 0.06, 0.02) 248: torsion ( -1.616, 1.448, 1.166) ( -1.616, 1.448, 1.166) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.209, -5.015, -0.504) ( 2.209, -5.015, -0.504) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 12 ( 0.018, -0.028, -0.133) ( 0.022, -0.023, -0.128) ( 0.01, 0.01, 0.07) 252: 1 ( 1.985, 1.075, 0.562) ( 1.994, 1.082, 0.564) ( 0.43, 0.62, 0.10) 252: bond ( 5.237, 0.172, 1.390) ( 5.245, 0.178, 1.391) ( 0.15, 0.09, 0.04) 252: angle ( -3.469, 1.277, -0.875) ( -3.468, 1.279, -0.875) ( 0.03, 0.14, 0.01) 252: strbnd ( 1.478, 0.534, 0.407) ( 1.477, 0.533, 0.407) ( 0.04, 0.03, 0.00) 252: torsion ( -0.001, -0.000, 0.002) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.604, -0.435, -0.173) ( -0.604, -0.435, -0.173) ( 0.00, 0.00, 0.00) 252: electro ( -0.656, -0.472, -0.188) ( -0.656, -0.472, -0.188) ( 0.00, 0.00, 0.00) 252: 2 ( -0.035, 0.614, -0.000) ( -0.026, 0.621, 0.002) ( 0.03, 0.42, 0.00) 252: bond ( -4.097, 4.193, -0.946) ( -4.089, 4.199, -0.946) ( 0.20, 0.13, 0.06) 252: angle ( 6.070, -3.235, 1.494) ( 6.071, -3.233, 1.494) ( 0.02, 0.06, 0.02) 252: strbnd ( -2.009, -0.344, -0.542) ( -2.010, -0.344, -0.542) ( 0.03, 0.02, 0.00) 252: torsion ( 0.001, 0.000, -0.005) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( 0.889, 0.122, 0.242) ( 0.890, 0.124, 0.242) ( 0.13, 0.03, 0.01) 252: bond ( 1.119, 1.704, 0.350) ( 1.120, 1.706, 0.350) ( 0.10, 0.15, 0.00) 252: angle ( 1.146, -0.809, 0.277) ( 1.146, -0.809, 0.277) ( 0.03, 0.02, 0.00) 252: strbnd ( -0.382, -0.759, -0.125) ( -0.382, -0.759, -0.125) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, -0.000, 0.003) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.717, -0.020, -0.190) ( -0.717, -0.020, -0.190) ( 0.00, 0.00, 0.00) 252: electro ( -0.275, 0.006, -0.072) ( -0.275, 0.006, -0.072) ( 0.00, 0.00, 0.00) 252: 4 ( 0.533, -0.554, 0.119) ( 0.534, -0.551, 0.119) ( 0.07, 0.16, 0.00) 252: bond ( 1.259, -2.407, 0.256) ( 1.260, -2.404, 0.256) ( 0.06, 0.12, 0.00) 252: angle ( 2.423, 1.342, 0.683) ( 2.423, 1.343, 0.683) ( 0.02, 0.01, 0.00) 252: strbnd ( -0.083, 0.405, -0.009) ( -0.083, 0.405, -0.009) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, 0.000, -0.004) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.868, -0.122, -0.761) ( -2.868, -0.122, -0.761) ( 0.00, 0.00, 0.00) 252: electro ( -0.198, 0.228, -0.045) ( -0.198, 0.228, -0.045) ( 0.00, 0.00, 0.00) 252: 5 ( -1.377, -1.164, -0.402) ( -1.376, -1.161, -0.402) ( 0.09, 0.26, 0.01) 252: bond ( -0.396, 0.799, -0.079) ( -0.395, 0.802, -0.079) ( 0.03, 0.24, 0.00) 252: angle ( -2.535, -1.318, -0.711) ( -2.535, -1.318, -0.711) ( 0.02, 0.01, 0.00) 252: strbnd ( 0.514, -0.809, 0.110) ( 0.514, -0.809, 0.110) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, 0.000, -0.002) ( 0.000, 0.000, -0.002) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.567, -0.187, 0.144) ( 0.567, -0.187, 0.144) ( 0.00, 0.00, 0.00) 252: electro ( 0.472, 0.351, 0.136) ( 0.472, 0.351, 0.136) ( 0.00, 0.00, 0.00) 252: 6 ( -2.292, -0.999, -0.620) ( -2.286, -0.988, -0.619) ( 0.27, 1.07, 0.09) 252: bond ( -3.396, -4.839, -1.050) ( -3.390, -4.829, -1.049) ( 0.15, 0.21, 0.05) 252: angle ( -3.250, 2.439, -0.769) ( -3.249, 2.440, -0.768) ( 0.03, 0.02, 0.06) 252: strbnd ( 0.484, 0.974, 0.159) ( 0.484, 0.974, 0.159) ( 0.00, 0.00, 0.00) 250: oop ( 0.012, -0.004, -0.006) ( 0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 10.865, 5.113, -8.667) ( 10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 46 ( 8.348, -75.934, -23.913) ( 8.353, -75.928, -23.905) ( 0.06, 0.01, 0.03) 250: bond ( 14.575, -43.264, -7.494) ( 14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) 250: angle ( 0.011, 0.075, -0.029) ( 0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( 4.670, -27.652, -7.698) ( 4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) 250: torsion ( -0.031, 0.017, -0.018) ( -0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( -0.012, 0.004, -0.006) ( -0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) 250: vdw (-10.865, -5.113, -8.667) (-10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 47 (-38.554, -47.306, 52.205) (-38.549, -47.297, 52.209) ( 0.01, 0.02, 0.01) 250: bond (-12.136, -26.884, 35.751) (-12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) 250: angle ( -0.007, -0.081, -0.014) ( -0.006, -0.079, -0.013) ( 0.00, 0.01, 0.00) 250: strbnd (-12.414, -17.160, 20.000) (-12.413, -17.159, 20.000) ( 0.01, 0.01, 0.00) 250: torsion ( 0.017, -0.014, 0.019) ( 0.017, -0.014, 0.019) ( 0.00, 0.00, 0.00) 250: oop ( 0.005, -0.002, 0.006) ( 0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) 250: vdw (-14.019, -3.165, -3.556) (-14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 48 (-37.613, -0.007, -70.710) (-37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) 250: bond (-31.161, -0.003, -34.133) (-31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) 250: angle ( -0.051, -0.002, -0.024) ( -0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) 250: strbnd (-15.277, -0.001, -24.743) (-15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) 250: torsion ( -0.022, -0.000, 0.006) ( -0.021, 0.000, 0.006) ( 0.00, 0.00, 0.00) 250: oop ( -0.010, -0.000, 0.005) ( -0.011, 0.000, 0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 8.908, -0.000, -11.821) ( 8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 49 ( 23.900, 8.348, 75.919) ( 23.905, 8.353, 75.928) ( 0.02, 0.06, 0.01) 250: bond ( 7.487, 14.575, 43.256) ( 7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) 250: angle ( 0.026, 0.011, -0.077) ( 0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) 250: strbnd ( 7.696, 4.670, 27.650) ( 7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) 250: torsion ( 0.018, -0.031, -0.018) ( 0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.006, -0.012, -0.004) ( 0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 8.667, -10.865, 5.113) ( 8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 50 (-54.913, 35.514, -24.139) (-54.905, 35.518, -24.134) ( 0.02, 0.01, 0.02) 250: bond (-26.884, 35.751, -12.136) (-26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) 250: angle ( 8.310, -2.331, 1.428) ( 8.312, -2.330, 1.429) ( 0.02, 0.05, 0.09) 250: strbnd (-33.157, 3.792, -2.400) (-33.157, 3.793, -2.399) ( 0.00, 0.02, 0.04) 250: torsion ( -0.015, 1.852, 2.983) ( -0.015, 1.853, 2.983) ( 0.00, 0.03, 0.01) 250: oop ( -0.002, 0.006, 0.005) ( -0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) 250: vdw ( -3.165, -3.556, -14.019) ( -3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 51 ( -8.357, -75.934, -23.913) ( -8.353, -75.928, -23.905) ( 0.04, 0.01, 0.03) 250: bond (-14.578, -43.264, -7.494) (-14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) 252: torsion ( -0.001, -0.000, 0.004) ( -0.001, -0.000, 0.004) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.977, 0.183, 0.792) ( 2.977, 0.183, 0.792) ( 0.00, 0.00, 0.00) 252: electro ( 0.894, 0.243, 0.244) ( 0.894, 0.243, 0.244) ( 0.00, 0.00, 0.00) 252: 7 ( 0.265, 0.865, 0.092) ( 0.269, 0.873, 0.093) ( 0.11, 0.67, 0.01) 252: bond ( 0.245, 0.341, 0.076) ( 0.249, 0.348, 0.077) ( 0.10, 0.26, 0.00) 252: angle ( -0.389, 0.299, -0.100) ( -0.389, 0.299, -0.099) ( 0.01, 0.00, 0.00) 252: strbnd ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.646, 0.581, 0.189) ( 0.646, 0.581, 0.189) ( 0.00, 0.00, 0.00) 252: electro ( -0.237, -0.356, -0.074) ( -0.237, -0.356, -0.074) ( 0.00, 0.00, 0.00) 252: ok 4 # gradients 252: ok 5 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 251: vdw ( -0.453, 0.779, -0.526) ( -0.453, 0.779, -0.526) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 18 ( 0.009, -0.007, -0.006) ( 0.013, -0.006, -0.005) ( 0.00, 0.00, 0.00) 251: bond ( -0.186, -0.031, -0.038) ( -0.183, -0.031, -0.038) ( 0.06, 0.00, 0.00) 251: angle ( -0.001, -3.690, 3.012) ( -0.001, -3.689, 3.012) ( 0.00, 0.01, 0.01) 251: strbnd ( -0.238, -0.555, 0.057) ( -0.238, -0.555, 0.057) ( 0.00, 0.00, 0.00) 251: torsion ( -0.181, 0.195, 0.704) ( -0.181, 0.195, 0.704) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.615, 4.074, -3.740) ( 0.615, 4.074, -3.740) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 19 ( 0.019, -0.041, 0.008) ( 0.020, -0.038, 0.009) ( 0.00, 0.01, 0.00) 251: bond ( 0.677, -1.445, 0.292) ( 0.678, -1.442, 0.292) ( 0.04, 0.19, 0.00) 251: angle ( -1.005, -1.216, -3.671) ( -1.005, -1.216, -3.670) ( 0.04, 0.01, 0.02) 251: strbnd ( -1.742, -0.148, -1.789) ( -1.742, -0.148, -1.789) ( 0.00, 0.00, 0.00) 251: torsion ( 0.210, 0.090, -0.042) ( 0.210, 0.090, -0.042) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.877, 2.677, 5.218) ( 1.877, 2.677, 5.218) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 20 ( -0.005, -0.001, 0.002) ( -0.002, -0.000, 0.003) ( 0.00, 0.00, 0.00) 251: bond ( -0.952, -0.106, 0.112) ( -0.948, -0.106, 0.112) ( 0.32, 0.00, 0.00) 251: angle ( 0.138, -5.030, -3.586) ( 0.138, -5.030, -3.585) ( 0.00, 0.01, 0.02) 251: strbnd ( 0.526, -1.605, -1.670) ( 0.526, -1.605, -1.670) ( 0.00, 0.00, 0.00) 251: torsion ( 0.072, -0.421, 0.214) ( 0.072, -0.421, 0.214) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.210, 7.161, 4.932) ( 0.210, 7.161, 4.932) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 21 ( 0.018, -0.034, 0.016) ( 0.019, -0.031, 0.017) ( 0.00, 0.01, 0.00) 251: bond ( 0.310, -0.673, 0.202) ( 0.310, -0.671, 0.202) ( 0.02, 0.18, 0.00) 251: angle ( 0.167, -1.396, -4.895) ( 0.167, -1.396, -4.895) ( 0.01, 0.01, 0.01) 251: strbnd ( 0.282, -0.193, -0.326) ( 0.282, -0.193, -0.326) ( 0.00, 0.00, 0.00) 251: torsion ( -0.415, -0.240, -0.161) ( -0.415, -0.240, -0.161) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.326, 2.469, 5.196) ( -0.326, 2.469, 5.196) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 22 ( 0.021, 0.013, 0.021) ( 0.022, 0.015, 0.022) ( 0.00, 0.00, 0.00) 251: bond ( -0.705, -1.304, -1.176) ( -0.704, -1.303, -1.174) ( 0.03, 0.12, 0.11) 251: angle ( 0.266, 0.180, -0.359) ( 0.266, 0.180, -0.359) ( 0.01, 0.00, 0.01) 251: strbnd ( 0.688, 1.241, 0.578) ( 0.688, 1.241, 0.578) ( 0.00, 0.00, 0.00) 251: torsion ( -0.120, 0.072, -0.007) ( -0.120, 0.072, -0.007) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.109, -0.174, 0.986) ( -0.109, -0.174, 0.986) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 23 ( -0.000, -0.006, -0.006) ( 0.003, -0.006, -0.006) ( 0.00, 0.00, 0.00) 251: bond ( -0.046, -0.002, 0.007) ( -0.043, -0.002, 0.007) ( 0.02, 0.00, 0.00) 248: bond (-12.958, 14.537, 15.529) (-12.956, 14.540, 15.533) ( 0.02, 0.02, 0.03) 248: angle ( 5.486, -21.711, -16.528) ( 5.488, -21.709, -16.526) ( 0.04, 0.01, 0.01) 248: strbnd ( 4.156, 8.341, -1.058) ( 4.155, 8.340, -1.059) ( 0.02, 0.01, 0.04) 248: torsion ( 0.521, -0.105, -0.116) ( 0.521, -0.105, -0.116) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.814, -1.090, 2.040) ( 2.814, -1.090, 2.040) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 ( -0.345, -0.098, -0.425) ( -0.340, -0.093, -0.420) ( 0.16, 0.05, 0.21) 248: bond ( 19.196, -25.927, -5.472) ( 19.199, -25.923, -5.468) ( 0.02, 0.01, 0.07) 248: angle (-20.973, 31.110, 6.384) (-20.971, 31.112, 6.386) ( 0.01, 0.01, 0.03) 248: strbnd ( -1.801, -4.659, 1.967) ( -1.802, -4.660, 1.966) ( 0.04, 0.02, 0.03) 248: torsion ( 2.190, -1.303, -1.287) ( 2.190, -1.303, -1.287) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.043, 0.681, -2.017) ( 1.043, 0.681, -2.017) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 14 ( -0.307, -0.668, -1.189) ( -0.302, -0.663, -1.183) ( 0.14, 0.32, 0.49) 248: bond (-22.467, 22.959, -11.970) (-22.463, 22.963, -11.965) ( 0.01, 0.02, 0.04) 248: angle ( 20.677, -26.111, 8.252) ( 20.679, -26.109, 8.254) ( 0.01, 0.01, 0.02) 248: strbnd ( 1.372, -1.663, -0.432) ( 1.371, -1.664, -0.432) ( 0.07, 0.05, 0.02) 248: torsion ( -0.738, 1.381, 1.027) ( -0.738, 1.381, 1.027) ( 0.00, 0.00, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.849, 2.766, 1.934) ( 0.849, 2.766, 1.934) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 15 ( -0.779, -0.703, -0.742) ( -0.774, -0.698, -0.735) ( 0.36, 0.34, 0.45) 248: bond ( 11.046, -27.491, 7.813) ( 11.049, -27.488, 7.817) ( 0.03, 0.01, 0.06) 248: angle (-13.695, 29.364, -9.854) (-13.693, 29.366, -9.852) ( 0.01, 0.01, 0.02) 248: strbnd ( -1.160, 1.909, -1.027) ( -1.161, 1.909, -1.027) ( 0.08, 0.04, 0.03) 248: torsion ( 0.502, -0.879, -1.143) ( 0.502, -0.879, -1.143) ( 0.00, 0.00, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.527, -3.606, 3.470) ( 2.528, -3.606, 3.470) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 16 ( -1.065, -0.614, 1.036) ( -1.061, -0.609, 1.042) ( 0.45, 0.30, 0.57) 248: bond ( -9.763, 20.766, -9.836) ( -9.759, 20.769, -9.832) ( 0.04, 0.02, 0.05) 248: angle ( 9.857, -21.778, 9.882) ( 9.859, -21.776, 9.884) ( 0.02, 0.01, 0.02) 248: strbnd ( 0.357, 0.332, 0.998) ( 0.356, 0.331, 0.998) ( 0.03, 0.03, 0.03) 248: torsion ( -0.978, 0.700, 0.353) ( -0.978, 0.700, 0.353) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.539, -0.634, -0.360) ( -0.539, -0.634, -0.360) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 17 ( -1.087, -1.069, 0.177) ( -1.083, -1.064, 0.183) ( 0.43, 0.46, 0.10) 248: bond ( -1.901, -13.454, 13.464) ( -1.897, -13.450, 13.468) ( 0.18, 0.03, 0.03) 248: angle ( 1.193, 9.826, -16.679) ( 1.195, 9.828, -16.677) ( 0.18, 0.02, 0.01) 248: strbnd ( -3.337, 0.795, 1.409) ( -3.338, 0.794, 1.408) ( 0.03, 0.08, 0.02) 248: torsion ( 0.974, 1.005, 1.909) ( 0.974, 1.005, 1.909) ( 0.00, 0.01, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: angle ( -0.013, 0.075, -0.029) ( -0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) 250: strbnd ( -4.671, -27.652, -7.698) ( -4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) 250: torsion ( 0.030, 0.017, -0.018) ( 0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) 250: oop ( 0.012, 0.004, -0.006) ( 0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 10.865, -5.113, -8.667) ( 10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 52 ( 37.554, -49.775, 56.098) ( 37.561, -49.767, 56.102) ( 0.02, 0.02, 0.01) 250: bond ( 12.130, -26.884, 35.751) ( 12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) 250: angle ( 1.671, 3.010, 0.624) ( 1.672, 3.012, 0.625) ( 0.08, 0.05, 0.07) 250: strbnd ( 11.182, -22.719, 19.528) ( 11.183, -22.718, 19.529) ( 0.01, 0.00, 0.00) 250: torsion ( -1.441, -0.016, 3.746) ( -1.441, -0.015, 3.746) ( 0.03, 0.00, 0.02) 250: oop ( -0.006, -0.002, 0.006) ( -0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 14.019, -3.165, -3.556) ( 14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 53 ( 57.517, 33.960, 18.680) ( 57.526, 33.965, 18.684) ( 0.02, 0.02, 0.02) 250: bond ( 43.256, 7.487, 14.575) ( 43.260, 7.491, 14.577) ( 0.01, 0.04, 0.01) 250: angle ( -5.272, -6.052, -3.749) ( -5.270, -6.051, -3.748) ( 0.03, 0.03, 0.03) 250: strbnd ( 14.441, 25.672, 15.790) ( 14.443, 25.673, 15.791) ( 0.01, 0.00, 0.00) 250: torsion ( -0.018, -1.820, 2.940) ( -0.018, -1.820, 2.940) ( 0.00, 0.02, 0.02) 250: oop ( -0.004, 0.006, -0.012) ( -0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( 5.113, 8.667, -10.865) ( 5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 54 (-52.445, 20.194, 0.196) (-52.439, 20.201, 0.199) ( 0.01, 0.03, 0.06) 250: bond (-30.817, 15.080, 19.379) (-30.813, 15.086, 19.380) ( 0.01, 0.03, 0.00) 250: angle ( 5.186, 6.102, 3.821) ( 5.188, 6.103, 3.822) ( 0.04, 0.03, 0.02) 250: strbnd (-26.815, -14.634, -11.154) (-26.815, -14.635, -11.154) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, 1.831, -2.952) ( 0.001, 1.831, -2.951) ( 0.00, 0.01, 0.02) 250: oop ( -0.000, -0.005, 0.010) ( -0.000, -0.005, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, 11.821, -8.908) ( 0.000, 11.821, -8.908) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 55 ( 37.554, 49.762, 56.098) ( 37.561, 49.767, 56.102) ( 0.02, 0.01, 0.01) 250: bond ( 12.130, 26.876, 35.751) ( 12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) 250: angle ( 1.671, -3.013, 0.624) ( 1.672, -3.012, 0.625) ( 0.08, 0.05, 0.07) 250: strbnd ( 11.182, 22.717, 19.528) ( 11.183, 22.718, 19.529) ( 0.01, 0.00, 0.00) 250: torsion ( -1.441, 0.015, 3.746) ( -1.441, 0.015, 3.746) ( 0.03, 0.00, 0.02) 250: oop ( -0.006, 0.002, 0.006) ( -0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 14.019, 3.164, -3.556) ( 14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 56 (-38.554, 47.292, 52.205) (-38.549, 47.297, 52.209) ( 0.01, 0.01, 0.01) 250: bond (-12.136, 26.876, 35.751) (-12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) 250: angle ( -0.007, 0.078, -0.014) ( -0.006, 0.079, -0.013) ( 0.00, 0.01, 0.00) 250: strbnd (-12.414, 17.157, 20.000) (-12.413, 17.159, 20.000) ( 0.01, 0.01, 0.00) 250: torsion ( 0.017, 0.014, 0.019) ( 0.017, 0.014, 0.019) ( 0.00, 0.00, 0.00) 250: oop ( 0.005, 0.002, 0.006) ( 0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) 250: vdw (-14.019, 3.164, -3.556) (-14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) 251: angle ( -0.685, -1.089, -4.223) ( -0.685, -1.089, -4.222) ( 0.00, 0.04, 0.01) 251: strbnd ( -0.401, 0.150, -0.337) ( -0.401, 0.150, -0.337) ( 0.00, 0.00, 0.00) 251: torsion ( -0.006, -0.562, -0.156) ( -0.006, -0.562, -0.156) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.137, 1.497, 4.703) ( 1.137, 1.497, 4.703) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 24 ( 0.001, 0.001, -0.010) ( 0.002, 0.002, -0.007) ( 0.00, 0.00, 0.00) 251: bond ( 0.241, 0.312, -0.823) ( 0.241, 0.312, -0.820) ( 0.01, 0.01, 0.23) 251: angle ( 6.530, -0.021, 1.914) ( 6.530, -0.020, 1.914) ( 0.01, 0.00, 0.01) 251: strbnd ( 1.607, -0.705, 1.140) ( 1.607, -0.705, 1.140) ( 0.00, 0.00, 0.00) 251: torsion ( -0.241, 0.199, 0.005) ( -0.241, 0.199, 0.005) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -8.135, 0.216, -2.247) ( -8.135, 0.216, -2.246) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 25 ( 0.001, -0.003, -0.006) ( 0.002, -0.000, -0.005) ( 0.00, 0.00, 0.00) 251: bond ( 0.584, -1.508, 0.127) ( 0.584, -1.505, 0.127) ( 0.03, 0.19, 0.00) 251: angle ( 3.179, 1.068, -1.976) ( 3.180, 1.068, -1.975) ( 0.02, 0.01, 0.03) 251: strbnd ( 1.545, 1.128, -0.502) ( 1.545, 1.128, -0.502) ( 0.00, 0.00, 0.00) 251: torsion ( 0.227, 0.048, -0.478) ( 0.227, 0.048, -0.478) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -5.534, -0.739, 2.823) ( -5.534, -0.739, 2.823) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 26 ( 0.000, -0.022, -0.005) ( 0.001, -0.019, -0.005) ( 0.00, 0.01, 0.00) 251: bond ( -0.113, 0.424, -0.059) ( -0.112, 0.427, -0.059) ( 0.00, 0.13, 0.00) 251: angle ( 3.229, 1.089, 1.750) ( 3.230, 1.089, 1.750) ( 0.01, 0.00, 0.03) 251: strbnd ( 0.321, -0.323, 0.447) ( 0.321, -0.323, 0.447) ( 0.00, 0.00, 0.00) 251: torsion ( 0.630, 0.104, -0.450) ( 0.630, 0.104, -0.450) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.068, -1.316, -1.694) ( -4.067, -1.316, -1.694) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 27 ( 0.003, -0.007, -0.005) ( 0.004, -0.006, -0.002) ( 0.00, 0.00, 0.00) 251: bond ( 0.111, 0.117, -0.410) ( 0.111, 0.118, -0.407) ( 0.00, 0.00, 0.12) 251: angle ( 3.583, 2.700, 1.758) ( 3.583, 2.701, 1.758) ( 0.01, 0.02, 0.00) 251: strbnd ( 0.267, 0.398, 0.009) ( 0.267, 0.398, 0.009) ( 0.00, 0.00, 0.00) 251: torsion ( 0.217, -0.162, 0.012) ( 0.217, -0.162, 0.012) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.174, -3.061, -1.375) ( -4.174, -3.061, -1.375) ( 0.00, 0.00, 0.00) 251: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 28 ( -0.011, -0.006, 0.002) ( -0.007, -0.005, 0.002) ( 0.00, 0.00, 0.00) 251: bond ( 1.690, -0.082, -0.103) ( 1.693, -0.082, -0.103) ( 0.20, 0.00, 0.00) 251: angle ( 0.030, 0.569, 0.034) ( 0.030, 0.569, 0.035) ( 0.00, 0.03, 0.00) 251: strbnd ( -1.242, 0.339, 0.433) ( -1.242, 0.339, 0.433) ( 0.00, 0.00, 0.00) 251: torsion ( 0.001, -0.311, 0.262) ( 0.001, -0.311, 0.262) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.489, -0.521, -0.624) ( -0.489, -0.521, -0.624) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: ok 10 # gradients 251: ok 11 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : surdox02.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 252: 1 ( 0.639, 0.075, -0.164) ( 0.645, 0.078, -0.160) ( 0.33, 0.02, 0.07) 252: bond ( 4.786, 0.643, -1.120) ( 4.790, 0.648, -1.116) ( 0.08, 0.30, 0.40) 252: angle ( -4.248, -1.205, 2.065) ( -4.246, -1.204, 2.067) ( 0.04, 0.13, 0.09) 252: strbnd ( 1.309, 0.175, -0.296) ( 1.308, 0.175, -0.297) ( 0.05, 0.01, 0.02) 252: torsion ( 0.038, -0.180, 0.270) ( 0.038, -0.180, 0.270) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.019, 0.011) ( -0.000, 0.016, 0.009) ( 0.00, 0.01, 0.00) 252: vdw ( -0.992, 0.534, -0.937) ( -0.992, 0.534, -0.937) ( 0.00, 0.00, 0.00) 252: electro ( -0.255, 0.090, -0.157) ( -0.255, 0.090, -0.157) ( 0.00, 0.00, 0.00) 252: 2 ( 0.112, -0.042, 0.049) ( 0.120, -0.042, 0.054) ( 0.08, 0.00, 0.03) 252: bond ( -6.313, 3.829, -6.633) ( -6.307, 3.832, -6.625) ( 0.09, 0.07, 0.12) 252: angle ( 14.795, 1.490, -2.461) ( 14.798, 1.491, -2.460) ( 0.02, 0.05, 0.06) 252: strbnd ( -8.362, -5.365, 9.214) ( -8.362, -5.366, 9.212) ( 0.01, 0.01, 0.02) 252: torsion ( -0.008, -0.021, -0.086) ( -0.008, -0.021, -0.086) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.026, 0.015) ( 0.000, 0.022, 0.012) ( 0.00, 0.01, 0.00) 252: vdw ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( -2.634, 4.586, -7.960) ( -2.632, 4.583, -7.958) ( 0.10, 0.07, 0.03) 252: bond ( -1.795, -1.762, 3.022) ( -1.793, -1.760, 3.028) ( 0.11, 0.11, 0.18) 252: angle ( -8.883, 2.272, -3.938) ( -8.882, 2.272, -3.938) ( 0.01, 0.00, 0.00) 252: strbnd ( 5.080, 5.487, -9.440) ( 5.080, 5.487, -9.440) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, -0.052, -0.030) ( 0.000, -0.052, -0.030) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.025, 0.014) ( -0.000, 0.020, 0.012) ( 0.00, 0.01, 0.00) 252: vdw ( 2.113, 0.148, -0.250) ( 2.113, 0.148, -0.250) ( 0.00, 0.00, 0.00) 252: electro ( 0.850, -1.532, 2.661) ( 0.850, -1.532, 2.661) ( 0.00, 0.00, 0.00) 252: 4 ( -0.053, -0.027, 0.018) ( -0.044, 0.028, 0.054) ( 0.05, 0.15, 0.06) 252: bond ( 1.797, -0.285, 0.335) ( 1.804, -0.284, 0.341) ( 0.39, 0.05, 0.18) 252: angle ( -6.314, 1.453, -2.828) ( -6.313, 1.453, -2.827) ( 0.03, 0.02, 0.04) 252: strbnd ( 0.607, -1.012, 1.791) ( 0.607, -1.012, 1.791) ( 0.01, 0.01, 0.02) 252: torsion ( 0.002, 0.484, 0.279) ( 0.002, 0.484, 0.279) ( 0.00, 0.02, 0.00) 252: oop ( 0.001, -0.313, -0.179) ( 0.001, -0.260, -0.148) ( 0.00, 1.66, 0.54) 252: vdw ( 3.855, -0.353, 0.619) ( 3.855, -0.353, 0.619) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 ( -0.729, -1.632, 2.845) ( -0.727, -1.654, 2.835) ( 0.10, 1.35, 0.35) 252: bond ( -2.157, -2.229, 3.948) ( -2.156, -2.228, 3.951) ( 0.04, 0.04, 0.08) 252: angle ( -0.484, 0.182, -0.161) ( -0.483, 0.182, -0.161) ( 0.03, 0.00, 0.00) 252: strbnd ( 0.577, 0.505, -0.902) ( 0.577, 0.505, -0.902) ( 0.00, 0.00, 0.00) 252: torsion ( -0.003, -0.213, -0.121) ( -0.003, -0.213, -0.121) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.125, 0.071) ( 0.000, 0.102, 0.058) ( 0.00, 0.29, 0.09) 252: vdw ( 1.088, -0.556, 0.972) ( 1.088, -0.556, 0.972) ( 0.00, 0.00, 0.00) 252: electro ( 0.249, 0.553, -0.960) ( 0.249, 0.553, -0.960) ( 0.00, 0.00, 0.00) 252: 6 ( 2.555, -2.666, 4.624) ( 2.560, -2.683, 4.614) ( 0.20, 0.63, 0.20) 252: bond ( 3.250, 0.122, -0.167) ( 3.255, 0.122, -0.167) ( 0.15, 0.00, 0.00) 252: angle ( 0.458, -3.605, 6.307) ( 0.458, -3.605, 6.308) ( 0.00, 0.00, 0.01) 252: strbnd ( -0.266, -0.042, 0.065) ( -0.266, -0.042, 0.065) ( 0.00, 0.00, 0.00) 248: vdw ( 1.983, 0.759, 0.074) ( 1.983, 0.759, 0.074) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 18 ( -0.972, -1.131, 0.537) ( -0.966, -1.126, 0.543) ( 0.57, 0.45, 0.31) 248: bond ( 8.970, -7.168, -3.472) ( 8.974, -7.164, -3.467) ( 0.05, 0.06, 0.13) 248: angle ( -7.660, 2.779, 4.648) ( -7.658, 2.781, 4.650) ( 0.02, 0.07, 0.04) 248: strbnd ( -0.534, -1.586, 1.106) ( -0.535, -1.587, 1.106) ( 0.03, 0.05, 0.04) 248: torsion ( -0.534, -0.161, -0.695) ( -0.534, -0.161, -0.695) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.214, 5.005, -1.050) ( -1.214, 5.005, -1.050) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 19 ( -0.892, -1.390, -0.413) ( -0.887, -1.384, -0.407) ( 0.44, 0.43, 0.23) 248: bond (-14.431, 0.239, -5.354) (-14.427, 0.243, -5.350) ( 0.03, 0.11, 0.08) 248: angle ( 5.190, -0.465, 6.381) ( 5.192, -0.463, 6.382) ( 0.04, 0.09, 0.03) 248: strbnd ( 2.347, -0.745, 1.442) ( 2.346, -0.746, 1.441) ( 0.04, 0.03, 0.03) 248: torsion ( 0.871, -0.786, -1.907) ( 0.871, -0.786, -1.907) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 5.131, 0.367, -0.974) ( 5.131, 0.367, -0.974) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 20 ( -1.255, 0.127, -0.110) ( -1.249, 0.133, -0.106) ( 0.48, 0.08, 0.05) 248: bond ( 4.252, -7.565, 15.329) ( 4.256, -7.560, 15.333) ( 0.11, 0.06, 0.03) 248: angle ( 1.408, 3.130, -7.552) ( 1.409, 3.132, -7.550) ( 0.13, 0.06, 0.03) 248: strbnd ( 0.392, 0.525, -4.232) ( 0.392, 0.524, -4.233) ( 0.02, 0.03, 0.02) 248: torsion ( -2.747, 1.008, 0.725) ( -2.747, 1.008, 0.725) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.560, 3.029, -4.380) ( -4.560, 3.029, -4.380) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 21 ( 0.264, 0.125, -0.017) ( 0.269, 0.129, -0.012) ( 0.13, 0.06, 0.01) 248: bond ( 20.008, -3.510, -2.218) ( 20.012, -3.507, -2.215) ( 0.02, 0.09, 0.15) 248: angle (-15.231, -7.030, 0.649) (-15.229, -7.028, 0.651) ( 0.01, 0.03, 0.15) 248: strbnd ( -8.351, 11.149, 4.002) ( -8.352, 11.148, 4.001) ( 0.01, 0.01, 0.02) 248: torsion ( 1.984, -2.010, -1.712) ( 1.984, -2.010, -1.712) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.854, 1.526, -0.737) ( 1.854, 1.526, -0.737) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 ( 0.427, 0.342, -0.042) ( 0.433, 0.348, -0.037) ( 0.25, 0.20, 0.02) 248: bond ( 4.959, -8.811, -19.046) ( 4.964, -8.806, -19.042) ( 0.09, 0.05, 0.02) 248: angle ( -3.781, 3.630, 13.839) ( -3.779, 3.632, 13.841) ( 0.05, 0.05, 0.01) 248: strbnd ( 1.990, -1.284, -2.382) ( 1.989, -1.285, -2.383) ( 0.02, 0.04, 0.04) 248: torsion ( -0.424, -0.578, 0.131) ( -0.424, -0.578, 0.131) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.317, 7.386, 7.417) ( -2.317, 7.386, 7.417) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( 0.262, 0.237, 0.013) ( 0.267, 0.243, 0.019) ( 0.12, 0.14, 0.01) 248: bond ( -9.101, -14.027, 14.486) ( -9.097, -14.023, 14.490) ( 0.04, 0.03, 0.03) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 57 ( 47.292, 52.205, -38.554) ( 47.297, 52.209, -38.549) ( 0.01, 0.01, 0.01) 250: bond ( 26.876, 35.751, -12.136) ( 26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) 250: angle ( 0.078, -0.014, -0.007) ( 0.079, -0.013, -0.006) ( 0.01, 0.00, 0.00) 250: strbnd ( 17.157, 20.000, -12.414) ( 17.159, 20.000, -12.413) ( 0.01, 0.00, 0.01) 250: torsion ( 0.014, 0.019, 0.017) ( 0.014, 0.019, 0.017) ( 0.00, 0.00, 0.00) 250: oop ( 0.002, 0.006, 0.005) ( 0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) 250: vdw ( 3.164, -3.556, -14.019) ( 3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 58 ( 3.504, -53.454, 17.121) ( 3.509, -53.448, 17.126) ( 0.15, 0.01, 0.02) 250: bond (-12.452, -26.537, 26.356) (-12.448, -26.533, 26.357) ( 0.04, 0.01, 0.01) 250: angle ( -9.977, 5.381, -2.072) ( -9.975, 5.383, -2.071) ( 0.02, 0.04, 0.05) 250: strbnd ( 29.601, -21.772, 10.437) ( 29.601, -21.772, 10.438) ( 0.00, 0.00, 0.00) 250: torsion ( 1.442, -1.853, -6.723) ( 1.442, -1.853, -6.722) ( 0.02, 0.02, 0.01) 250: oop ( 0.004, -0.006, -0.012) ( 0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -5.113, -8.667, -10.865) ( -5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 59 ( 57.517, -33.972, 18.680) ( 57.526, -33.965, 18.684) ( 0.02, 0.02, 0.02) 250: bond ( 43.256, -7.494, 14.575) ( 43.260, -7.491, 14.577) ( 0.01, 0.04, 0.01) 250: angle ( -5.272, 6.049, -3.749) ( -5.270, 6.051, -3.748) ( 0.03, 0.03, 0.03) 250: strbnd ( 14.441, -25.674, 15.790) ( 14.443, -25.673, 15.791) ( 0.01, 0.00, 0.00) 250: torsion ( -0.018, 1.819, 2.940) ( -0.018, 1.820, 2.940) ( 0.00, 0.02, 0.02) 250: oop ( -0.004, -0.006, -0.012) ( -0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( 5.113, -8.667, -10.865) ( 5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 60 (-52.445, -20.208, 0.196) (-52.439, -20.201, 0.199) ( 0.01, 0.04, 0.06) 250: bond (-30.817, -15.091, 19.379) (-30.813, -15.086, 19.380) ( 0.01, 0.03, 0.00) 250: angle ( 5.186, -6.105, 3.821) ( 5.188, -6.103, 3.822) ( 0.04, 0.03, 0.02) 250: strbnd (-26.815, 14.635, -11.154) (-26.815, 14.635, -11.154) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, -1.831, -2.952) ( 0.001, -1.831, -2.951) ( 0.00, 0.01, 0.02) 250: oop ( -0.000, 0.005, 0.010) ( 0.000, 0.005, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.000, -11.821, -8.908) ( -0.000, -11.821, -8.908) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 18 # gradients 250: ok 19 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 252: torsion ( 0.001, -0.156, -0.091) ( 0.001, -0.156, -0.091) ( 0.00, 0.00, 0.00) 252: oop ( -0.001, 0.118, 0.067) ( -0.001, 0.101, 0.058) ( 0.00, 0.20, 0.07) 252: vdw ( -0.044, 0.008, -0.015) ( -0.044, 0.008, -0.015) ( 0.00, 0.00, 0.00) 252: electro ( -0.845, 0.890, -1.543) ( -0.845, 0.890, -1.543) ( 0.00, 0.00, 0.00) 252: 7 ( -0.050, -0.182, 0.030) ( -0.049, -0.179, 0.030) ( 0.00, 0.06, 0.00) 252: bond ( 0.021, 0.069, -0.002) ( 0.021, 0.073, -0.002) ( 0.00, 0.02, 0.00) 252: angle ( 1.553, -0.437, 0.860) ( 1.553, -0.437, 0.860) ( 0.03, 0.00, 0.04) 252: strbnd ( 0.368, 0.645, -0.047) ( 0.368, 0.645, -0.047) ( 0.00, 0.00, 0.00) 252: torsion ( -0.015, 0.001, -0.149) ( -0.015, 0.001, -0.149) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.977, -0.460, -0.633) ( -1.977, -0.460, -0.633) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 8 ( -0.053, 0.067, 0.183) ( -0.052, 0.068, 0.186) ( 0.00, 0.01, 0.05) 252: bond ( 0.017, -0.029, -0.055) ( 0.018, -0.028, -0.053) ( 0.00, 0.00, 0.01) 252: angle ( 1.567, -0.533, 0.815) ( 1.568, -0.532, 0.815) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.370, -0.276, -0.582) ( 0.370, -0.276, -0.582) ( 0.00, 0.00, 0.00) 252: torsion ( -0.016, 0.130, -0.075) ( -0.016, 0.130, -0.075) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.992, 0.775, 0.081) ( -1.992, 0.775, 0.081) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 9 ( 0.179, -0.202, 0.342) ( 0.180, -0.201, 0.344) ( 0.02, 0.02, 0.08) 252: bond ( 0.367, -0.375, 0.641) ( 0.368, -0.374, 0.643) ( 0.02, 0.03, 0.13) 252: angle ( 1.546, 0.380, -0.664) ( 1.547, 0.380, -0.664) ( 0.03, 0.01, 0.01) 252: strbnd ( 0.317, -0.116, 0.199) ( 0.317, -0.116, 0.199) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.006, 0.003) ( -0.000, 0.006, 0.003) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.052, -0.097, 0.162) ( -2.052, -0.097, 0.162) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 6 # gradients 252: ok 7 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 251: 1 ( 0.013, -0.116, -0.042) ( 0.127, -0.099, -0.306) ( 0.15, 0.20, 1.11) 251: bond ( 2.996, -0.181, 5.906) ( 3.000, -0.170, 5.908) ( 0.14, 0.21, 0.03) 251: angle ( -0.615, 0.021, -2.208) ( -0.614, 0.022, -2.207) ( 0.09, 0.00, 0.06) 251: strbnd ( 31.994, -0.001, 12.086) ( 31.994, -0.002, 12.085) ( 0.00, 0.00, 0.00) 251: torsion ( 0.329, 0.014, -0.811) ( 0.329, 0.014, -0.811) ( 0.00, 0.00, 0.01) 251: oop ( -0.655, -0.027, 1.614) ( -0.546, -0.023, 1.348) ( 7.08, 0.01, 16.52) 251: vdw ( -1.367, 0.002, -0.677) ( -1.367, 0.002, -0.677) ( 0.00, 0.00, 0.00) 251: electro (-32.669, 0.057, -15.952) (-32.669, 0.057, -15.952) ( 0.00, 0.00, 0.00) 251: 2 ( 4.052, 0.153, -9.314) ( 3.390, 0.134, -7.713) (16.34, 0.28, 17.19) 251: bond (-24.654, -0.013, -8.873) (-24.650, -0.006, -8.872) ( 0.02, 0.01, 0.01) 251: angle ( 26.151, -0.059, 14.095) ( 26.154, -0.057, 14.095) ( 0.01, 0.01, 0.00) 251: strbnd ( -2.586, 0.026, -2.810) ( -2.588, 0.025, -2.810) ( 0.08, 0.00, 0.00) 251: torsion ( 1.175, 0.034, -1.921) ( 1.175, 0.034, -1.921) ( 0.01, 0.00, 0.02) 251: oop ( 3.967, 0.165, -9.805) ( 3.300, 0.138, -8.205) (16.80, 0.44, 16.32) 251: vdw ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 3 ( -8.105, -1.860, 15.243) ( -7.466, -1.785, 13.960) ( 7.89, 4.01, 8.42) 251: bond ( 3.669, 20.808, 1.591) ( 3.675, 20.815, 1.593) ( 0.15, 0.03, 0.11) 251: angle (-16.152, 8.087, -6.190) (-16.150, 8.089, -6.189) ( 0.01, 0.02, 0.01) 251: strbnd (-15.060, -18.986, -5.342) (-15.060, -18.986, -5.342) ( 0.00, 0.00, 0.00) 251: torsion ( -4.535, 0.373, 10.304) ( -4.535, 0.373, 10.304) ( 0.00, 0.00, 0.00) 251: oop ( -4.284, -0.802, 8.672) ( -3.652, -0.736, 7.386) (14.76, 5.30, 14.82) 251: vdw ( 4.304, -0.146, 0.652) ( 4.304, -0.146, 0.652) ( 0.00, 0.00, 0.00) 251: electro ( 23.952, -11.196, 5.555) ( 23.952, -11.196, 5.555) ( 0.00, 0.00, 0.00) 251: 4 ( 0.007, 0.012, -0.004) ( 0.009, 0.018, -0.003) ( 0.00, 0.01, 0.00) 251: bond ( 1.917, 4.448, -1.522) ( 1.918, 4.454, -1.521) ( 0.06, 0.13, 0.05) 251: angle ( 0.657, -0.203, 0.234) ( 0.657, -0.203, 0.234) ( 0.04, 0.00, 0.01) 251: strbnd ( 0.365, 0.126, 0.367) ( 0.365, 0.126, 0.367) ( 0.00, 0.00, 0.00) 251: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.311, -0.150, -0.658) ( -4.311, -0.150, -0.658) ( 0.00, 0.00, 0.00) 251: electro ( 1.379, -4.208, 1.576) ( 1.379, -4.208, 1.576) ( 0.00, 0.00, 0.00) 251: 5 ( 3.820, 0.567, -5.159) ( 3.587, 0.555, -4.838) ( 6.10, 0.68, 6.22) 251: bond ( 2.147, 0.095, 1.594) ( 2.150, 0.095, 1.596) ( 0.15, 0.00, 0.11) 251: angle ( 0.148, -1.267, -0.124) ( 0.148, -1.266, -0.124) ( 0.00, 0.05, 0.00) 251: strbnd ( 0.091, 0.467, -0.005) ( 0.091, 0.467, -0.005) ( 0.00, 0.00, 0.00) 251: torsion ( 2.813, -0.764, -3.745) ( 2.813, -0.764, -3.745) ( 0.00, 0.00, 0.00) 251: oop ( 1.624, 0.265, -2.204) ( 1.388, 0.253, -1.885) (14.55, 0.34, 14.48) 251: vdw ( -0.057, 0.074, -0.025) ( -0.057, 0.074, -0.025) ( 0.00, 0.00, 0.00) 251: electro ( -2.946, 1.696, -0.650) ( -2.946, 1.696, -0.650) ( 0.00, 0.00, 0.00) 251: 6 ( 2.250, 1.416, -5.425) ( 2.135, 1.350, -5.124) ( 5.11, 4.70, 5.54) 251: bond ( 2.991, -4.569, 0.099) ( 2.993, -4.566, 0.099) ( 0.05, 0.07, 0.00) 251: angle ( 2.530, 1.664, 0.255) ( 2.530, 1.664, 0.256) ( 0.02, 0.01, 0.00) 251: strbnd ( -0.003, 0.684, 0.085) ( -0.003, 0.684, 0.085) ( 0.00, 0.00, 0.00) 248: angle ( 10.251, 5.425, -14.704) ( 10.253, 5.427, -14.702) ( 0.02, 0.04, 0.01) 248: strbnd ( 4.541, -0.227, 0.888) ( 4.540, -0.227, 0.888) ( 0.02, 0.01, 0.06) 248: torsion ( -1.610, 3.720, 3.452) ( -1.610, 3.720, 3.452) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.819, 5.346, -4.109) ( -3.819, 5.346, -4.109) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( 0.357, 0.362, 0.364) ( 0.362, 0.367, 0.370) ( 0.18, 0.17, 0.22) 248: bond ( 21.264, -13.824, -2.826) ( 21.268, -13.820, -2.821) ( 0.02, 0.03, 0.16) 248: angle (-16.268, 12.918, 11.920) (-16.266, 12.920, 11.922) ( 0.01, 0.02, 0.01) 248: strbnd ( -2.042, -2.702, 2.306) ( -2.043, -2.703, 2.305) ( 0.04, 0.04, 0.01) 248: torsion ( 0.242, -0.309, -3.665) ( 0.242, -0.309, -3.665) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.840, 4.280, -7.371) ( -2.839, 4.280, -7.371) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( 0.298, 0.643, 0.076) ( 0.302, 0.648, 0.081) ( 0.13, 0.32, 0.04) 248: bond (-17.007, -1.605, 19.177) (-17.004, -1.602, 19.181) ( 0.02, 0.21, 0.02) 248: angle ( 20.289, -11.578, -20.050) ( 20.291, -11.576, -20.048) ( 0.01, 0.02, 0.01) 248: strbnd ( 0.219, 4.268, -0.478) ( 0.218, 4.267, -0.478) ( 0.02, 0.02, 0.02) 248: torsion ( -1.834, 2.984, 4.550) ( -1.834, 2.984, 4.550) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.369, 6.574, -3.124) ( -1.369, 6.574, -3.124) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 ( 1.237, -0.464, 0.129) ( 1.240, -0.447, 0.209) ( 0.28, 0.80, 1.04) 248: bond ( 15.847, -1.098, -7.962) ( 15.850, -1.095, -7.959) ( 0.02, 0.29, 0.04) 248: angle (-11.285, -1.723, 11.202) (-11.283, -1.722, 11.203) ( 0.02, 0.12, 0.02) 248: strbnd ( -2.536, 2.403, 1.664) ( -2.537, 2.402, 1.663) ( 0.03, 0.03, 0.04) 248: torsion ( 1.195, -2.901, -3.945) ( 1.195, -2.901, -3.945) ( 0.00, 0.00, 0.01) 248: oop ( 0.005, -0.076, -0.452) ( 0.004, -0.063, -0.376) ( 0.00, 0.10, 3.40) 248: vdw ( -1.368, 2.242, -0.525) ( -1.367, 2.242, -0.525) ( 0.01, 0.00, 0.00) 248: electro ( -0.621, 0.690, 0.148) ( -0.621, 0.690, 0.148) ( 0.00, 0.00, 0.00) 248: 27 ( 0.236, 0.612, 0.037) ( 0.242, 0.618, 0.042) ( 0.14, 0.35, 0.02) 248: bond ( 5.055, -10.233, -17.302) ( 5.059, -10.229, -17.298) ( 0.09, 0.04, 0.02) 248: angle ( -3.183, 7.842, 10.800) ( -3.181, 7.843, 10.802) ( 0.06, 0.02, 0.02) 248: strbnd ( 1.203, 0.907, -0.607) ( 1.203, 0.907, -0.608) ( 0.04, 0.05, 0.06) 248: torsion ( -0.959, -0.405, -0.114) ( -0.959, -0.405, -0.114) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.881, 2.501, 7.260) ( -1.880, 2.501, 7.260) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 28 ( 0.896, -0.479, -0.925) ( 0.900, -0.477, -0.920) ( 0.38, 0.08, 0.45) 248: bond ( 7.820, 3.623, -3.208) ( 7.824, 3.624, -3.204) ( 0.05, 0.03, 0.12) 248: angle ( -2.167, 1.247, 4.426) ( -2.166, 1.247, 4.428) ( 0.01, 0.03, 0.03) 248: strbnd ( 0.310, 0.219, 0.140) ( 0.310, 0.219, 0.140) ( 0.00, 0.00, 0.01) 248: torsion ( 0.871, -2.454, -0.635) ( 0.871, -2.454, -0.635) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.614, -2.920, -1.379) ( -3.614, -2.920, -1.379) ( 0.00, 0.00, 0.00) 250: 1 ( 47.614, 10.906, 0.039) ( 47.621, 10.915, 0.093) ( 0.02, 0.08, 0.21) 250: bond ( 30.636, -6.297, 0.167) ( 30.642, -6.289, 0.167) ( 0.02, 0.13, 0.00) 250: angle ( 32.862, 34.136, 0.480) ( 32.865, 34.139, 0.480) ( 0.01, 0.01, 0.00) 250: strbnd (-13.324, -8.673, -0.104) (-13.325, -8.674, -0.104) ( 0.01, 0.01, 0.00) 250: torsion ( 0.006, 0.007, -0.513) ( 0.006, 0.007, -0.512) ( 0.00, 0.00, 0.06) 250: oop ( 0.002, 0.002, -0.095) ( 0.001, 0.002, -0.042) ( 0.00, 0.00, 0.50) 250: vdw ( -4.980, -11.257, 0.121) ( -4.980, -11.256, 0.121) ( 0.00, 0.00, 0.00) 250: electro ( 2.412, 2.988, -0.017) ( 2.412, 2.988, -0.017) ( 0.00, 0.00, 0.00) 250: 2 (-60.261, -26.975, -1.911) (-60.251, -26.967, -1.824) ( 0.02, 0.03, 4.56) 250: bond (-30.553, -9.880, 0.169) (-30.547, -9.873, 0.169) ( 0.02, 0.07, 0.00) 250: angle (-46.521, -10.271, 0.396) (-46.518, -10.269, 0.396) ( 0.01, 0.02, 0.00) 250: strbnd ( 17.496, -2.306, -0.133) ( 17.495, -2.306, -0.133) ( 0.00, 0.03, 0.00) 250: torsion ( -0.025, 0.014, -1.717) ( -0.025, 0.014, -1.715) ( 0.00, 0.00, 0.08) 250: oop ( -0.003, 0.003, -0.342) ( -0.002, 0.003, -0.256) ( 0.00, 0.00, 2.94) 250: vdw ( 1.588, -12.705, -0.305) ( 1.588, -12.704, -0.305) ( 0.01, 0.00, 0.00) 250: electro ( -2.243, 8.169, 0.021) ( -2.243, 8.169, 0.021) ( 0.00, 0.00, 0.00) 250: 3 ( 23.923, -14.162, 0.682) ( 23.930, -14.154, 0.630) ( 0.03, 0.06, 3.56) 250: bond ( 39.764, 9.492, -0.196) ( 39.769, 9.499, -0.196) ( 0.01, 0.07, 0.00) 250: angle ( -9.543, -33.981, 0.308) ( -9.540, -33.979, 0.308) ( 0.03, 0.01, 0.01) 250: strbnd ( -7.639, 9.515, -0.055) ( -7.639, 9.513, -0.055) ( 0.00, 0.01, 0.00) 250: torsion ( 0.006, 0.806, 0.449) ( 0.006, 0.806, 0.450) ( 0.00, 0.00, 0.05) 250: oop ( 0.002, -0.000, 0.198) ( 0.001, -0.000, 0.145) ( 0.00, 0.00, 1.06) 250: vdw ( 9.366, 0.886, 0.003) ( 9.367, 0.886, 0.003) ( 0.00, 0.00, 0.00) 250: electro ( -8.034, -0.879, -0.025) ( -8.034, -0.879, -0.025) ( 0.00, 0.00, 0.00) 250: 4 ( 0.151, -4.788, -0.160) ( 0.160, -4.776, -0.094) ( 0.15, 0.26, 1.05) 250: bond (-10.729, -14.628, 0.267) (-10.721, -14.617, 0.267) ( 0.08, 0.07, 0.01) 250: angle ( 32.474, 51.618, -0.713) ( 32.476, 51.622, -0.713) ( 0.01, 0.01, 0.01) 250: strbnd (-21.280, -41.834, 0.455) (-21.281, -41.837, 0.455) ( 0.01, 0.01, 0.00) 250: torsion ( 0.002, 0.006, 0.844) ( 0.002, 0.006, 0.845) ( 0.00, 0.00, 0.09) 250: oop ( -0.003, -0.003, -0.380) ( -0.002, -0.003, -0.316) ( 0.00, 0.00, 2.45) 250: vdw ( 7.224, 10.517, -0.632) ( 7.224, 10.517, -0.632) ( 0.00, 0.00, 0.00) 250: electro ( -7.539, -10.463, -0.002) ( -7.539, -10.463, -0.002) ( 0.00, 0.00, 0.00) 250: 5 ( 32.855, 54.085, -1.761) ( 32.859, 54.093, -1.789) ( 0.01, 0.01, 1.56) 250: bond ( 14.954, 25.801, -0.346) ( 14.956, 25.809, -0.346) ( 0.02, 0.03, 0.00) 250: angle ( -0.954, 0.553, 0.090) ( -0.953, 0.554, 0.090) ( 0.07, 0.01, 0.00) 250: strbnd ( 15.993, 27.797, -0.361) ( 15.993, 27.797, -0.362) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, 0.000, 0.055) ( 0.001, 0.000, 0.055) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, 0.002, 0.182) ( 0.001, 0.001, 0.155) ( 0.00, 0.00, 0.50) 250: vdw ( 7.016, 4.718, -1.422) ( 7.016, 4.718, -1.422) ( 0.00, 0.00, 0.00) 250: electro ( -4.154, -4.786, 0.041) ( -4.154, -4.786, 0.041) ( 0.00, 0.00, 0.00) 250: 6 ( -0.214, 8.915, -1.332) ( -0.206, 8.924, -1.372) ( 0.18, 0.09, 3.00) 250: bond (-14.177, 30.083, -0.172) (-14.170, 30.088, -0.172) ( 0.05, 0.02, 0.00) 250: angle ( 8.442, -39.763, 0.869) ( 8.444, -39.760, 0.869) ( 0.03, 0.01, 0.03) 250: strbnd ( 11.495, 9.907, -0.096) ( 11.495, 9.907, -0.096) ( 0.00, 0.00, 0.00) 252: 1 ( 2.140, -0.166, 0.754) ( 2.145, -0.160, 0.760) ( 0.24, 0.10, 0.43) 252: bond ( -4.893, 2.856, -3.005) ( -4.889, 2.861, -3.000) ( 0.09, 0.16, 0.15) 252: angle ( 1.859, -4.639, 2.751) ( 1.861, -4.637, 2.752) ( 0.10, 0.04, 0.06) 252: strbnd ( 0.352, -0.450, 0.642) ( 0.351, -0.450, 0.641) ( 0.05, 0.03, 0.04) 252: torsion ( -0.296, -0.439, 0.009) ( -0.296, -0.439, 0.009) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.689, 2.322, 0.608) ( 5.689, 2.322, 0.608) ( 0.00, 0.00, 0.00) 252: electro ( -0.570, 0.183, -0.250) ( -0.570, 0.183, -0.250) ( 0.00, 0.00, 0.00) 252: 2 ( -0.776, -0.622, -0.218) ( -0.780, -0.606, -0.189) ( 0.23, 0.97, 0.62) 252: bond ( 7.306, -2.470, 3.157) ( 7.312, -2.468, 3.158) ( 0.07, 0.08, 0.02) 252: angle ( 2.892, 8.647, -4.003) ( 2.893, 8.648, -4.002) ( 0.01, 0.02, 0.01) 252: strbnd (-10.808, -7.207, -0.152) (-10.809, -7.207, -0.152) ( 0.00, 0.00, 0.00) 252: torsion ( -0.221, 0.486, 0.955) ( -0.221, 0.486, 0.955) ( 0.00, 0.00, 0.01) 252: oop ( 0.054, -0.078, -0.175) ( 0.045, -0.066, -0.147) ( 0.04, 0.09, 0.48) 252: vdw ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( 0.077, -0.215, -0.263) ( 0.077, -0.212, -0.263) ( 0.01, 0.07, 0.02) 252: bond ( 0.045, 0.977, 0.187) ( 0.045, 0.980, 0.187) ( 0.00, 0.32, 0.00) 252: angle ( -5.704, 0.511, -1.299) ( -5.703, 0.511, -1.299) ( 0.01, 0.00, 0.04) 252: strbnd ( -0.435, 0.449, -0.226) ( -0.435, 0.449, -0.226) ( 0.00, 0.00, 0.00) 252: torsion ( -0.156, -0.037, 0.231) ( -0.156, -0.037, 0.231) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 6.326, -2.115, 0.844) ( 6.326, -2.115, 0.844) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 4 ( -0.154, -0.035, 0.283) ( -0.151, -0.034, 0.284) ( 0.04, 0.00, 0.03) 252: bond ( -0.518, -0.212, 0.225) ( -0.515, -0.211, 0.226) ( 0.13, 0.01, 0.01) 252: angle ( 0.309, -0.045, 0.666) ( 0.310, -0.044, 0.666) ( 0.01, 0.00, 0.03) 252: strbnd ( -0.108, 0.417, -0.398) ( -0.108, 0.418, -0.398) ( 0.00, 0.00, 0.00) 252: torsion ( -0.012, -0.211, -0.225) ( -0.012, -0.211, -0.225) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.175, 0.014, 0.016) ( 0.175, 0.014, 0.016) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 ( -0.220, -0.180, -0.107) ( -0.219, -0.179, -0.104) ( 0.01, 0.01, 0.04) 252: bond ( 0.005, -0.076, -0.456) ( 0.005, -0.076, -0.453) ( 0.00, 0.00, 0.15) 252: angle ( -1.188, -0.996, 0.154) ( -1.187, -0.996, 0.154) ( 0.05, 0.05, 0.00) 252: strbnd ( -0.441, 0.249, -0.473) ( -0.441, 0.249, -0.473) ( 0.00, 0.00, 0.00) 252: torsion ( 0.429, 0.568, -0.091) ( 0.429, 0.568, -0.091) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.975, 0.076, 0.758) ( 0.975, 0.076, 0.758) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 6 ( 0.815, 1.141, -0.215) ( 0.856, 1.101, -0.316) ( 3.35, 3.49, 2.17) 252: bond ( -0.770, -0.798, 0.110) ( -0.761, -0.793, 0.112) ( 0.74, 0.41, 0.02) 252: angle ( -6.533, -4.058, -0.587) ( -6.531, -4.056, -0.587) ( 0.02, 0.05, 0.02) 252: strbnd ( 13.048, 4.199, 2.149) ( 13.046, 4.199, 2.149) ( 0.02, 0.01, 0.01) 251: torsion ( 0.969, 0.522, -5.191) ( 0.969, 0.522, -5.191) ( 0.00, 0.00, 0.00) 251: oop ( 1.003, 0.606, -2.371) ( 0.886, 0.536, -2.071) (11.64, 4.24, 12.66) 251: vdw ( 0.745, 0.835, 0.378) ( 0.745, 0.835, 0.378) ( 0.00, 0.00, 0.00) 251: electro ( -5.985, 1.676, 1.320) ( -5.985, 1.676, 1.320) ( 0.00, 0.00, 0.00) 251: 7 ( -0.036, 0.074, 0.033) ( -0.035, 0.080, 0.034) ( 0.01, 0.04, 0.00) 251: bond ( 1.920, -4.294, -1.614) ( 1.922, -4.288, -1.613) ( 0.06, 0.13, 0.05) 251: angle ( 0.658, 0.204, 0.241) ( 0.659, 0.204, 0.242) ( 0.04, 0.00, 0.01) 251: strbnd ( 0.365, -0.134, 0.362) ( 0.365, -0.134, 0.361) ( 0.00, 0.00, 0.00) 251: torsion ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.313, 0.123, -0.654) ( -4.313, 0.123, -0.654) ( 0.00, 0.00, 0.00) 251: electro ( 1.333, 4.175, 1.698) ( 1.333, 4.175, 1.698) ( 0.00, 0.00, 0.00) 251: 8 ( -8.181, 1.288, 15.260) ( -7.542, 1.275, 13.976) ( 7.82, 1.04, 8.42) 251: bond ( 3.840, -20.844, 0.957) ( 3.846, -20.837, 0.959) ( 0.14, 0.03, 0.17) 251: angle (-16.070, -8.077, -6.428) (-16.068, -8.075, -6.428) ( 0.01, 0.02, 0.01) 251: strbnd (-15.264, 18.971, -4.788) (-15.265, 18.971, -4.788) ( 0.00, 0.00, 0.00) 251: torsion ( -4.529, -0.723, 10.288) ( -4.529, -0.723, 10.288) ( 0.00, 0.00, 0.00) 251: oop ( -4.291, 0.502, 8.691) ( -3.658, 0.480, 7.404) (14.75, 1.09, 14.81) 251: vdw ( 4.302, 0.173, 0.657) ( 4.302, 0.173, 0.657) ( 0.00, 0.00, 0.00) 251: electro ( 23.831, 11.286, 5.883) ( 23.831, 11.286, 5.883) ( 0.00, 0.00, 0.00) 251: 9 ( 3.858, -0.382, -5.148) ( 3.625, -0.380, -4.827) ( 6.04, 0.06, 6.24) 251: bond ( 2.181, -0.120, 1.616) ( 2.185, -0.120, 1.617) ( 0.14, 0.00, 0.11) 251: angle ( 0.134, 1.267, -0.087) ( 0.134, 1.267, -0.087) ( 0.00, 0.05, 0.00) 251: strbnd ( 0.096, -0.466, -0.019) ( 0.096, -0.466, -0.019) ( 0.00, 0.00, 0.00) 251: torsion ( 2.804, 0.904, -3.721) ( 2.804, 0.904, -3.721) ( 0.00, 0.00, 0.00) 251: oop ( 1.627, -0.183, -2.211) ( 1.390, -0.183, -1.891) (14.53, 0.02, 14.45) 251: vdw ( -0.056, -0.074, -0.027) ( -0.056, -0.074, -0.027) ( 0.00, 0.00, 0.00) 251: electro ( -2.928, -1.708, -0.700) ( -2.928, -1.708, -0.700) ( 0.00, 0.00, 0.00) 251: 10 ( 2.285, -1.211, -5.461) ( 2.169, -1.148, -5.158) ( 5.07, 5.24, 5.54) 251: bond ( 2.961, 4.619, 0.235) ( 2.962, 4.623, 0.235) ( 0.05, 0.07, 0.00) 251: angle ( 2.550, -1.645, 0.209) ( 2.551, -1.645, 0.209) ( 0.02, 0.01, 0.00) 251: strbnd ( 0.004, -0.685, 0.065) ( 0.004, -0.685, 0.065) ( 0.00, 0.00, 0.00) 251: torsion ( 0.973, -0.360, -5.204) ( 0.973, -0.360, -5.204) ( 0.00, 0.00, 0.00) 251: oop ( 1.009, -0.526, -2.388) ( 0.892, -0.466, -2.086) (11.64, 3.15, 12.65) 251: vdw ( 0.753, -0.837, 0.354) ( 0.753, -0.837, 0.354) ( 0.00, 0.00, 0.00) 251: electro ( -5.967, -1.778, 1.269) ( -5.967, -1.778, 1.269) ( 0.00, 0.00, 0.00) 251: ok 12 # gradients 251: ok 13 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : valwou.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 252: torsion ( 0.259, -0.370, -0.890) ( 0.259, -0.370, -0.889) ( 0.00, 0.00, 0.01) 252: oop ( -0.183, 0.268, 0.599) ( -0.151, 0.221, 0.495) ( 0.59, 1.25, 6.20) 252: vdw ( -5.005, 1.900, -1.595) ( -5.005, 1.900, -1.595) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 7 ( -2.349, 0.240, -0.842) ( -2.356, 0.262, -0.794) ( 0.32, 0.54, 4.02) 252: bond ( -1.232, 0.565, -0.626) ( -1.226, 0.566, -0.625) ( 0.52, 0.08, 0.10) 252: angle ( -0.414, -0.699, 0.179) ( -0.414, -0.698, 0.179) ( 0.01, 0.04, 0.00) 252: strbnd ( -1.351, 0.487, -0.628) ( -1.351, 0.487, -0.628) ( 0.01, 0.00, 0.00) 252: torsion ( -0.063, 0.092, 0.208) ( -0.063, 0.092, 0.208) ( 0.00, 0.00, 0.00) 252: oop ( 0.065, -0.095, -0.213) ( 0.051, -0.074, -0.167) ( 0.09, 0.19, 0.98) 252: vdw ( -0.079, 0.007, -0.027) ( -0.079, 0.007, -0.027) ( 0.00, 0.00, 0.00) 252: electro ( 0.727, -0.117, 0.266) ( 0.727, -0.117, 0.266) ( 0.00, 0.00, 0.00) 252: 8 ( 0.435, -0.189, 0.589) ( 0.427, -0.172, 0.621) ( 0.38, 0.32, 1.92) 252: bond ( 0.028, -0.862, 0.394) ( 0.028, -0.860, 0.395) ( 0.00, 0.24, 0.02) 252: angle ( 8.772, 1.272, 2.136) ( 8.772, 1.272, 2.136) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.253, 1.856, -0.912) ( -0.253, 1.856, -0.912) ( 0.00, 0.00, 0.00) 252: torsion ( 0.061, -0.089, -0.197) ( 0.061, -0.089, -0.197) ( 0.00, 0.00, 0.00) 252: oop ( 0.065, -0.096, -0.213) ( 0.055, -0.081, -0.181) ( 0.06, 0.14, 0.68) 252: vdw ( -8.081, -2.204, -0.604) ( -8.081, -2.204, -0.604) ( 0.00, 0.00, 0.00) 252: electro ( -0.157, -0.066, -0.016) ( -0.157, -0.066, -0.016) ( 0.00, 0.00, 0.00) 252: ok 8 # gradients 252: ok 9 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 248: electro ( -2.324, -0.193, -0.270) ( -2.323, -0.193, -0.270) ( 0.00, 0.00, 0.00) 248: 29 ( 0.408, 0.492, 0.031) ( 0.409, 0.493, 0.034) ( 0.03, 0.06, 0.01) 248: bond ( -1.093, 2.730, 5.745) ( -1.093, 2.731, 5.748) ( 0.01, 0.02, 0.04) 248: angle ( -0.447, -1.804, 0.772) ( -0.446, -1.803, 0.772) ( 0.03, 0.03, 0.01) 248: strbnd ( -0.651, -1.825, -2.101) ( -0.651, -1.825, -2.101) ( 0.00, 0.00, 0.00) 248: torsion ( 1.322, -0.173, 0.334) ( 1.322, -0.173, 0.334) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.277, 1.563, -4.719) ( 1.277, 1.563, -4.719) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( 0.503, 0.033, 0.106) ( 0.504, 0.034, 0.109) ( 0.04, 0.00, 0.03) 248: bond ( 0.388, -0.566, -1.877) ( 0.388, -0.566, -1.874) ( 0.01, 0.02, 0.16) 248: angle ( -1.222, 1.435, -0.686) ( -1.222, 1.436, -0.686) ( 0.05, 0.04, 0.00) 248: strbnd ( -0.562, 0.515, 1.009) ( -0.562, 0.515, 1.009) ( 0.00, 0.00, 0.00) 248: torsion ( -1.037, 0.246, -0.289) ( -1.037, 0.246, -0.289) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.936, -1.598, 1.950) ( 2.936, -1.598, 1.950) ( 0.00, 0.01, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 31 ( 0.438, 0.182, 0.134) ( 0.439, 0.183, 0.137) ( 0.04, 0.02, 0.04) 248: bond ( -1.114, 1.979, 6.032) ( -1.114, 1.980, 6.035) ( 0.01, 0.02, 0.05) 248: angle ( -0.690, 1.900, -0.751) ( -0.689, 1.901, -0.751) ( 0.04, 0.03, 0.01) 248: strbnd ( 0.022, -0.078, -2.039) ( 0.022, -0.078, -2.039) ( 0.00, 0.00, 0.00) 248: torsion ( 0.783, 1.067, -0.206) ( 0.783, 1.067, -0.206) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.437, -4.688, -2.903) ( 1.437, -4.687, -2.903) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 32 ( 1.763, 0.235, -0.010) ( 1.764, 0.236, -0.007) ( 0.05, 0.03, 0.00) 248: bond ( -0.495, 1.091, 2.241) ( -0.495, 1.092, 2.244) ( 0.01, 0.06, 0.12) 248: angle ( -0.145, 0.135, -0.098) ( -0.144, 0.135, -0.098) ( 0.01, 0.01, 0.00) 248: strbnd ( -0.003, -0.325, -0.202) ( -0.003, -0.325, -0.202) ( 0.00, 0.00, 0.00) 248: torsion ( 1.861, 0.535, 0.150) ( 1.861, 0.535, 0.150) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.545, -1.202, -2.101) ( 0.545, -1.202, -2.101) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 33 ( 0.648, 0.036, -0.155) ( 0.650, 0.037, -0.153) ( 0.11, 0.00, 0.03) 248: bond ( 2.130, -0.511, 2.443) ( 2.132, -0.511, 2.445) ( 0.07, 0.00, 0.08) 248: angle ( 2.580, -0.905, -2.439) ( 2.580, -0.904, -2.439) ( 0.01, 0.05, 0.01) 248: strbnd ( -0.613, 0.221, -1.607) ( -0.613, 0.221, -1.607) ( 0.00, 0.00, 0.00) 248: torsion ( -2.226, 0.124, 1.967) ( -2.226, 0.125, 1.967) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.223, 1.107, -0.518) ( -1.223, 1.107, -0.518) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 34 ( 0.623, -0.025, -0.099) ( 0.624, -0.024, -0.096) ( 0.07, 0.00, 0.02) 248: bond ( 1.205, -1.083, -2.206) ( 1.205, -1.082, -2.204) ( 0.05, 0.05, 0.10) 248: angle ( 4.429, -0.679, 2.755) ( 4.430, -0.679, 2.755) ( 0.01, 0.03, 0.01) 248: strbnd ( -0.025, 0.560, 1.229) ( -0.025, 0.560, 1.229) ( 0.00, 0.00, 0.00) 250: torsion ( -0.474, -0.285, -2.183) ( -0.474, -0.285, -2.182) ( 0.00, 0.00, 0.04) 250: oop ( -0.000, 0.000, 0.253) ( 0.000, 0.000, 0.212) ( 0.00, 0.00, 1.05) 250: vdw ( -6.893, 11.755, 0.015) ( -6.893, 11.755, 0.015) ( 0.00, 0.00, 0.00) 250: electro ( 1.393, -2.782, -0.018) ( 1.393, -2.782, -0.018) ( 0.00, 0.00, 0.00) 250: 7 ( -6.401, -0.928, -0.439) ( -6.387, -0.919, -0.348) ( 0.22, 0.80, 4.02) 250: bond ( 14.169, 8.086, 0.243) ( 14.182, 8.092, 0.243) ( 0.09, 0.08, 0.01) 250: angle (-42.998, -14.458, -0.436) (-42.996, -14.456, -0.436) ( 0.01, 0.02, 0.01) 250: strbnd ( 11.153, 0.471, 0.082) ( 11.151, 0.470, 0.082) ( 0.01, 0.04, 0.00) 250: torsion ( -0.007, -0.000, 0.644) ( -0.007, -0.000, 0.645) ( 0.00, 0.00, 0.05) 250: oop ( 0.002, -0.000, -0.666) ( 0.002, 0.000, -0.576) ( 0.00, 0.00, 6.05) 250: vdw ( -7.050, -0.891, -0.311) ( -7.050, -0.891, -0.311) ( 0.00, 0.01, 0.00) 250: electro ( 18.330, 5.865, 0.006) ( 18.330, 5.865, 0.006) ( 0.00, 0.00, 0.00) 250: 8 (-50.729, -2.197, -0.504) (-50.718, -2.195, -0.571) ( 0.02, 0.05, 3.40) 250: bond (-33.079, 0.439, -0.219) (-33.068, 0.439, -0.220) ( 0.03, 0.01, 0.00) 250: angle ( 0.010, 0.811, 0.102) ( 0.010, 0.812, 0.102) ( 0.00, 0.09, 0.00) 250: strbnd (-14.392, -0.434, -0.079) (-14.392, -0.434, -0.079) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, -0.000, -0.092) ( 0.001, -0.000, -0.092) ( 0.00, 0.00, 0.00) 250: oop ( -0.002, -0.000, 0.361) ( -0.002, -0.000, 0.293) ( 0.00, 0.00, 2.44) 250: vdw ( -5.725, -2.617, -0.509) ( -5.725, -2.617, -0.509) ( 0.00, 0.01, 0.00) 250: electro ( 2.458, -0.395, -0.067) ( 2.458, -0.395, -0.067) ( 0.00, 0.00, 0.00) 250: 9 (-32.034, -12.171, -0.517) (-32.026, -12.162, -0.554) ( 0.03, 0.07, 1.89) 250: bond (-31.682, -14.421, -0.455) (-31.675, -14.415, -0.455) ( 0.02, 0.04, 0.00) 250: angle ( 5.174, 7.290, 0.065) ( 5.177, 7.293, 0.066) ( 0.05, 0.03, 0.00) 250: strbnd ( -6.582, -2.350, -0.240) ( -6.583, -2.351, -0.240) ( 0.02, 0.05, 0.00) 250: torsion ( 0.000, 0.005, -0.080) ( 0.000, 0.005, -0.079) ( 0.00, 0.00, 0.01) 250: oop ( -0.001, -0.003, 0.207) ( -0.000, -0.002, 0.169) ( 0.00, 0.00, 0.78) 250: vdw ( 1.438, -3.381, -0.019) ( 1.438, -3.381, -0.019) ( 0.00, 0.00, 0.00) 250: electro ( -0.381, 0.689, 0.005) ( -0.381, 0.689, 0.005) ( 0.00, 0.00, 0.00) 250: 10 (-11.709, -23.421, -0.019) (-11.704, -23.415, -0.082) ( 0.04, 0.03, 0.12) 250: bond (-32.483, -35.767, -0.526) (-32.480, -35.763, -0.526) ( 0.01, 0.01, 0.01) 250: angle ( 26.625, 6.434, -0.197) ( 26.627, 6.434, -0.197) ( 0.01, 0.01, 0.00) 250: strbnd ( -1.629, 3.816, 0.065) ( -1.629, 3.816, 0.065) ( 0.01, 0.01, 0.00) 250: torsion ( 0.008, -0.005, 0.486) ( 0.008, -0.005, 0.486) ( 0.00, 0.00, 0.02) 250: oop ( 0.002, -0.005, 0.355) ( 0.001, -0.005, 0.291) ( 0.00, 0.00, 2.26) 250: vdw ( -3.198, -3.532, -0.228) ( -3.198, -3.531, -0.228) ( 0.00, 0.00, 0.00) 250: electro ( -1.035, 5.639, 0.027) ( -1.035, 5.639, 0.027) ( 0.00, 0.00, 0.00) 250: 11 ( 35.827, 8.607, -0.338) ( 35.834, 8.614, -0.245) ( 0.02, 0.08, 3.13) 250: bond ( 44.495, 11.383, 0.093) ( 44.502, 11.390, 0.093) ( 0.01, 0.06, 0.00) 250: angle ( -0.477, -4.825, -0.116) ( -0.475, -4.823, -0.116) ( 0.09, 0.05, 0.00) 250: strbnd (-12.211, 2.309, 0.059) (-12.213, 2.308, 0.059) ( 0.02, 0.02, 0.00) 250: torsion ( -0.001, -0.001, 0.053) ( -0.001, -0.001, 0.054) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.010, -0.488) ( -0.000, 0.008, -0.397) ( 0.00, 0.00, 4.49) 250: vdw ( 4.096, -0.193, 0.062) ( 4.096, -0.193, 0.062) ( 0.00, 0.00, 0.00) 250: electro ( -0.073, -0.076, -0.001) ( -0.073, -0.076, -0.001) ( 0.00, 0.00, 0.00) 250: 12 ( 16.696, 4.159, 1.198) ( 16.701, 4.165, 1.188) ( 0.03, 0.16, 0.77) 251: 1 ( -0.011, 0.008, -0.002) ( -0.007, 0.009, 0.001) ( 0.00, 0.00, 0.00) 251: bond (-15.066, 0.590, 13.579) (-15.064, 0.590, 13.581) ( 0.02, 0.02, 0.01) 251: angle ( 8.215, 21.265, -1.187) ( 8.215, 21.265, -1.186) ( 0.01, 0.00, 0.09) 251: strbnd ( 13.283, 1.537, -11.705) ( 13.283, 1.537, -11.705) ( 0.00, 0.01, 0.00) 251: torsion ( 0.469, -0.818, -0.491) ( 0.469, -0.818, -0.491) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw (-16.349, -14.076, -9.889) (-16.349, -14.076, -9.889) ( 0.00, 0.00, 0.00) 251: electro ( 9.439, -8.489, 9.691) ( 9.439, -8.489, 9.691) ( 0.00, 0.00, 0.00) 251: 2 ( 0.049, -0.041, -0.050) ( 0.056, -0.038, -0.044) ( 0.03, 0.01, 0.03) 251: bond ( -1.989, -5.973, 5.396) ( -1.982, -5.971, 5.401) ( 0.31, 0.05, 0.09) 251: angle ( 12.171, 18.575, -1.290) ( 12.172, 18.576, -1.289) ( 0.01, 0.01, 0.12) 251: strbnd ( -6.382, -16.381, 1.658) ( -6.383, -16.382, 1.658) ( 0.01, 0.00, 0.03) 251: torsion ( 1.307, -0.613, -0.923) ( 1.307, -0.613, -0.923) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.101, 3.444, -3.337) ( -4.101, 3.444, -3.336) ( 0.00, 0.00, 0.00) 251: electro ( -0.957, 0.907, -1.554) ( -0.957, 0.907, -1.554) ( 0.00, 0.00, 0.00) 251: 3 ( -0.003, 0.017, 0.026) ( -0.002, 0.019, 0.030) ( 0.00, 0.00, 0.01) 251: bond ( 0.886, -2.327, -4.505) ( 0.886, -2.325, -4.501) ( 0.02, 0.05, 0.10) 251: angle ( -9.163, -7.934, 2.295) ( -9.162, -7.934, 2.295) ( 0.01, 0.00, 0.00) 251: strbnd ( 0.035, -1.201, -0.650) ( 0.035, -1.201, -0.650) ( 0.00, 0.01, 0.01) 251: torsion ( -1.075, 0.327, -0.381) ( -1.075, 0.327, -0.381) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -2.954, 9.054, -3.466) ( -2.954, 9.054, -3.466) ( 0.00, 0.00, 0.00) 251: electro ( 12.267, 2.097, 6.733) ( 12.267, 2.097, 6.733) ( 0.00, 0.00, 0.00) 251: 4 ( -0.066, 0.014, 0.013) ( -0.060, 0.015, 0.014) ( 0.04, 0.00, 0.00) 251: bond ( -1.807, 0.231, 0.350) ( -1.802, 0.231, 0.350) ( 0.32, 0.00, 0.01) 251: angle ( -2.264, -11.394, -4.125) ( -2.264, -11.394, -4.124) ( 0.00, 0.01, 0.01) 251: strbnd ( -1.121, -0.534, 0.432) ( -1.121, -0.534, 0.432) ( 0.00, 0.00, 0.00) 251: torsion ( 0.219, 0.087, 1.070) ( 0.219, 0.087, 1.070) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -5.300, 9.953, -11.232) ( -5.300, 9.953, -11.232) ( 0.00, 0.00, 0.00) 251: electro ( 10.207, 1.672, 13.519) ( 10.207, 1.672, 13.519) ( 0.00, 0.00, 0.00) 251: 5 ( 0.024, -0.012, 0.001) ( 0.031, -0.008, 0.006) ( 0.02, 0.00, 0.00) 251: bond ( -2.431, 13.799, -9.128) ( -2.426, 13.802, -9.124) ( 0.21, 0.02, 0.05) 251: angle (-13.514, -12.442, 3.433) (-13.512, -12.439, 3.435) ( 0.02, 0.02, 0.07) 251: strbnd ( 10.215, 7.073, 7.282) ( 10.214, 7.072, 7.280) ( 0.01, 0.02, 0.02) 251: torsion ( -0.178, -0.134, -0.164) ( -0.178, -0.134, -0.164) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -3.406, 1.106, 0.053) ( -3.406, 1.106, 0.053) ( 0.00, 0.00, 0.00) 251: electro ( 9.338, -9.414, -1.474) ( 9.338, -9.414, -1.474) ( 0.00, 0.00, 0.00) 251: 6 ( -0.012, 0.002, 0.003) ( -0.008, 0.003, 0.004) ( 0.01, 0.00, 0.00) 251: bond ( 1.492, -0.032, 0.115) ( 1.496, -0.032, 0.116) ( 0.29, 0.00, 0.00) 251: angle ( 0.143, 3.198, -0.968) ( 0.143, 3.199, -0.968) ( 0.00, 0.02, 0.08) 251: strbnd ( 0.299, 1.855, -1.309) ( 0.299, 1.855, -1.309) ( 0.00, 0.00, 0.00) 252: 1 ( 6.021, -8.841, 15.336) ( 6.025, -8.837, 15.339) ( 0.07, 0.04, 0.02) 252: bond ( 13.697, -19.381, 33.622) ( 13.700, -19.379, 33.624) ( 0.02, 0.02, 0.01) 252: angle ( -4.188, 5.759, -9.944) ( -4.187, 5.761, -9.942) ( 0.03, 0.02, 0.02) 252: strbnd ( -3.294, 4.646, -8.104) ( -3.295, 4.645, -8.105) ( 0.02, 0.01, 0.01) 252: torsion ( -0.194, 0.135, -0.238) ( -0.194, 0.135, -0.238) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 2 ( -9.933, -2.704, 4.639) ( -9.929, -2.699, 4.644) ( 0.04, 0.19, 0.11) 252: bond (-13.151, 0.001, 0.002) (-13.148, 0.005, 0.006) ( 0.03, 0.00, 0.00) 252: angle ( -5.431, -2.186, 3.739) ( -5.429, -2.184, 3.741) ( 0.03, 0.08, 0.04) 252: strbnd ( 4.098, -2.031, 3.530) ( 4.097, -2.031, 3.529) ( 0.04, 0.02, 0.01) 252: torsion ( 0.000, 0.166, -0.285) ( 0.000, 0.166, -0.285) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( 3.813, 8.396, 5.795) ( 3.819, 8.400, 5.800) ( 0.14, 0.05, 0.09) 252: bond ( 4.362, 12.392, -0.017) ( 4.366, 12.395, -0.013) ( 0.09, 0.03, 0.01) 252: angle ( 3.888, 4.351, 3.744) ( 3.890, 4.353, 3.746) ( 0.05, 0.04, 0.04) 252: strbnd ( 0.568, -4.531, 3.529) ( 0.568, -4.532, 3.529) ( 0.03, 0.03, 0.01) 252: torsion ( 0.479, -0.170, 0.882) ( 0.479, -0.170, 0.882) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 4 ( 3.726, -9.185, -4.409) ( 3.731, -9.180, -4.405) ( 0.14, 0.05, 0.09) 252: bond ( 4.377, -6.197, -10.754) ( 4.381, -6.194, -10.751) ( 0.09, 0.06, 0.03) 252: angle ( 3.836, -5.397, -1.958) ( 3.837, -5.396, -1.956) ( 0.05, 0.03, 0.09) 252: strbnd ( 0.555, -0.774, 5.727) ( 0.555, -0.774, 5.725) ( 0.03, 0.04, 0.02) 252: torsion ( 0.478, -0.675, 0.585) ( 0.478, -0.675, 0.585) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 ( -2.313, 28.066, 0.105) ( -2.312, 28.068, 0.106) ( 0.04, 0.01, 0.01) 252: bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) 252: angle ( 1.760, 0.623, -0.007) ( 1.760, 0.623, -0.006) ( 0.03, 0.00, 0.00) 252: strbnd ( -1.908, -0.349, 0.000) ( -1.908, -0.349, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, 0.152) ( 0.000, 0.000, 0.152) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 6 ( -9.233, -13.275, 23.034) ( -9.232, -13.274, 23.036) ( 0.01, 0.01, 0.01) 252: bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) 252: angle ( 1.828, -0.303, 0.571) ( 1.829, -0.302, 0.572) ( 0.02, 0.01, 0.01) 252: strbnd ( -1.910, 0.171, -0.295) ( -1.910, 0.171, -0.295) ( 0.00, 0.00, 0.00) 248: torsion ( -1.189, -0.747, -0.284) ( -1.189, -0.747, -0.284) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.797, 1.923, -1.593) ( -3.797, 1.923, -1.593) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 35 ( 0.727, 0.236, 0.113) ( 0.728, 0.237, 0.115) ( 0.07, 0.02, 0.03) 248: bond ( -1.135, 1.111, 3.160) ( -1.134, 1.111, 3.163) ( 0.03, 0.03, 0.08) 248: angle ( 2.191, 0.137, 0.737) ( 2.191, 0.138, 0.737) ( 0.03, 0.01, 0.01) 248: strbnd ( 1.028, -1.182, -0.643) ( 1.028, -1.182, -0.643) ( 0.00, 0.00, 0.00) 248: torsion ( 0.059, -1.190, 0.439) ( 0.059, -1.190, 0.439) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.416, 1.359, -3.581) ( -1.416, 1.359, -3.581) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 36 ( 0.488, 0.270, -0.116) ( 0.489, 0.274, -0.116) ( 0.04, 0.09, 0.01) 248: bond ( 0.456, -2.299, 0.220) ( 0.456, -2.296, 0.220) ( 0.01, 0.14, 0.00) 248: angle ( 2.467, 0.624, 1.393) ( 2.468, 0.624, 1.393) ( 0.02, 0.00, 0.04) 248: strbnd ( 0.024, 1.326, 0.945) ( 0.024, 1.326, 0.945) ( 0.00, 0.00, 0.00) 248: torsion ( 0.177, -0.003, -0.400) ( 0.177, -0.003, -0.399) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.636, 0.622, -2.274) ( -2.636, 0.622, -2.274) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 37 ( 0.151, 1.287, 0.431) ( 0.152, 1.288, 0.434) ( 0.02, 0.05, 0.13) 248: bond ( 1.073, -0.388, -2.975) ( 1.074, -0.388, -2.972) ( 0.04, 0.00, 0.10) 248: angle ( -0.794, 2.840, -0.658) ( -0.793, 2.841, -0.658) ( 0.04, 0.02, 0.00) 248: strbnd ( -0.284, 0.981, 1.653) ( -0.284, 0.981, 1.653) ( 0.00, 0.00, 0.00) 248: torsion ( -1.057, -0.640, -0.298) ( -1.057, -0.640, -0.298) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.212, -1.506, 2.709) ( 1.212, -1.506, 2.709) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 38 ( 0.339, 0.476, 1.257) ( 0.340, 0.479, 1.258) ( 0.03, 0.15, 0.04) 248: bond ( -0.805, 4.071, 0.318) ( -0.805, 4.074, 0.318) ( 0.01, 0.08, 0.00) 248: angle ( 5.353, 1.181, -1.582) ( 5.354, 1.181, -1.581) ( 0.01, 0.00, 0.03) 248: strbnd ( 0.930, -1.391, -0.658) ( 0.930, -1.391, -0.658) ( 0.00, 0.00, 0.00) 248: torsion ( -1.899, -0.571, 2.506) ( -1.899, -0.571, 2.506) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.240, -2.814, 0.673) ( -3.240, -2.814, 0.673) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 39 ( 0.197, 1.934, -0.224) ( 0.197, 1.941, -0.201) ( 0.01, 0.38, 0.52) 248: bond ( -0.322, 6.022, -1.065) ( -0.322, 6.026, -1.065) ( 0.00, 0.06, 0.01) 248: angle ( -3.546, -0.243, -0.303) ( -3.546, -0.243, -0.303) ( 0.02, 0.00, 0.00) 248: strbnd ( 0.529, -2.091, 0.417) ( 0.529, -2.091, 0.417) ( 0.00, 0.00, 0.00) 248: torsion ( 0.017, 0.060, 0.336) ( 0.017, 0.060, 0.337) ( 0.00, 0.00, 0.01) 248: oop ( 0.010, -0.029, -0.170) ( 0.009, -0.026, -0.147) ( 0.00, 0.01, 0.39) 248: vdw ( 2.635, -1.088, 0.220) ( 2.635, -1.088, 0.220) ( 0.00, 0.00, 0.00) 248: electro ( 0.875, -0.697, 0.340) ( 0.875, -0.697, 0.340) ( 0.00, 0.00, 0.00) 250: bond ( 20.776, 7.319, 0.909) ( 20.781, 7.324, 0.914) ( 0.02, 0.06, 0.43) 250: angle (-13.754, -4.812, -0.102) (-13.752, -4.809, -0.101) ( 0.01, 0.04, 0.02) 250: strbnd ( 12.427, 3.908, 0.157) ( 12.424, 3.908, 0.156) ( 0.02, 0.02, 0.01) 250: torsion ( -0.002, -0.005, 0.222) ( -0.002, -0.005, 0.222) ( 0.00, 0.00, 0.00) 250: oop ( -0.001, -0.001, 0.057) ( -0.000, -0.001, 0.042) ( 0.00, 0.00, 0.09) 250: vdw ( -1.953, -4.180, -0.065) ( -1.953, -4.180, -0.065) ( 0.00, 0.00, 0.00) 250: electro ( -0.796, 1.928, 0.020) ( -0.796, 1.928, 0.020) ( 0.00, 0.00, 0.00) 250: 13 (-13.749, -4.822, 1.563) (-13.744, -4.816, 1.558) ( 0.03, 0.14, 0.30) 250: bond (-22.923, -0.335, 0.145) (-22.919, -0.330, 0.150) ( 0.02, 0.16, 0.07) 250: angle ( 7.410, 2.850, -0.382) ( 7.411, 2.852, -0.380) ( 0.03, 0.07, 0.06) 250: strbnd ( 0.558, -0.831, -0.003) ( 0.557, -0.831, -0.003) ( 0.07, 0.03, 0.00) 250: torsion ( 0.058, -4.145, 1.734) ( 0.058, -4.145, 1.735) ( 0.00, 0.00, 0.01) 250: oop ( 0.001, 0.000, 0.059) ( 0.001, 0.000, 0.049) ( 0.00, 0.00, 0.06) 250: vdw ( 6.098, -3.967, 0.005) ( 6.098, -3.967, 0.005) ( 0.00, 0.00, 0.00) 250: electro ( -4.950, 1.606, 0.003) ( -4.950, 1.606, 0.003) ( 0.00, 0.00, 0.00) 250: 14 ( 9.601, -11.203, 4.735) ( 9.607, -11.198, 4.730) ( 0.06, 0.04, 0.10) 250: bond ( 11.197, -20.692, -0.065) ( 11.201, -20.688, -0.061) ( 0.04, 0.02, 0.03) 250: angle ( -3.458, 7.005, -0.620) ( -3.456, 7.007, -0.619) ( 0.06, 0.03, 0.09) 250: strbnd ( 0.022, 0.227, 0.010) ( 0.021, 0.226, 0.009) ( 0.00, 0.02, 0.00) 250: torsion ( 2.428, 1.397, 5.331) ( 2.428, 1.397, 5.331) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.001, 0.069) ( -0.000, 0.001, 0.058) ( 0.00, 0.00, 0.07) 250: vdw ( -4.679, 7.355, -0.008) ( -4.679, 7.355, -0.008) ( 0.00, 0.00, 0.00) 250: electro ( 4.091, -6.495, 0.019) ( 4.091, -6.495, 0.019) ( 0.00, 0.00, 0.00) 250: 15 ( -0.465, 5.538, 0.483) ( -0.465, 5.543, 0.432) ( 0.04, 0.09, 2.45) 250: bond ( -0.036, 7.926, 0.175) ( -0.036, 7.930, 0.175) ( 0.00, 0.05, 0.00) 250: angle ( -5.802, -0.026, -0.014) ( -5.802, -0.026, -0.014) ( 0.01, 0.00, 0.00) 250: strbnd ( 3.604, -0.129, -0.013) ( 3.604, -0.129, -0.013) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, -0.003, 0.136) ( 0.001, -0.003, 0.136) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.005, 0.223) ( 0.000, -0.004, 0.172) ( 0.00, 0.00, 1.13) 250: vdw ( 1.248, -1.217, -0.011) ( 1.248, -1.217, -0.011) ( 0.00, 0.00, 0.00) 250: electro ( 0.520, -1.008, -0.012) ( 0.520, -1.008, -0.012) ( 0.00, 0.00, 0.00) 250: 16 ( 3.795, -2.075, -0.170) ( 3.796, -2.072, -0.169) ( 0.02, 0.17, 0.01) 250: bond ( -0.033, -1.994, -0.084) ( -0.033, -1.991, -0.084) ( 0.00, 0.17, 0.00) 250: angle ( 5.569, -0.090, -0.056) ( 5.570, -0.090, -0.056) ( 0.01, 0.00, 0.00) 250: strbnd ( 2.049, 1.116, 0.067) ( 2.049, 1.116, 0.067) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, 0.000, -0.009) ( 0.000, 0.000, -0.009) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.791, -1.108, -0.087) ( -3.791, -1.108, -0.087) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 17 ( 3.734, 1.697, 3.317) ( 3.735, 1.697, 3.320) ( 0.03, 0.05, 0.08) 250: bond ( -0.653, 0.424, 1.150) ( -0.653, 0.424, 1.152) ( 0.05, 0.01, 0.21) 250: angle ( 4.116, 2.173, 1.530) ( 4.116, 2.174, 1.530) ( 0.01, 0.02, 0.01) 250: strbnd ( 2.185, 0.599, -0.219) ( 2.185, 0.599, -0.219) ( 0.00, 0.00, 0.00) 250: torsion ( 0.003, -0.008, 0.004) ( 0.003, -0.008, 0.004) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: torsion ( -0.068, 0.501, 1.024) ( -0.068, 0.501, 1.024) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.080, -0.124, -0.022) ( 0.080, -0.124, -0.022) ( 0.00, 0.00, 0.00) 251: electro ( -1.958, -5.395, 1.163) ( -1.958, -5.395, 1.163) ( 0.00, 0.00, 0.00) 251: 7 ( -0.003, 0.001, -0.011) ( -0.002, 0.003, -0.008) ( 0.00, 0.00, 0.00) 251: bond ( 1.037, -1.995, -2.372) ( 1.037, -1.994, -2.370) ( 0.04, 0.08, 0.10) 251: angle ( 7.753, 4.193, -0.134) ( 7.753, 4.193, -0.134) ( 0.01, 0.01, 0.00) 251: strbnd ( -1.461, 4.844, 2.139) ( -1.461, 4.844, 2.139) ( 0.01, 0.00, 0.00) 251: torsion ( -0.878, -0.004, -0.381) ( -0.878, -0.004, -0.381) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.671, -0.499, -3.122) ( -4.671, -0.499, -3.122) ( 0.00, 0.00, 0.00) 251: electro ( -1.784, -6.538, 3.859) ( -1.784, -6.538, 3.859) ( 0.00, 0.00, 0.00) 251: 8 ( -0.032, -0.009, -0.062) ( -0.026, -0.003, -0.056) ( 0.02, 0.01, 0.04) 251: bond ( 28.388, -6.583, 25.817) ( 28.392, -6.579, 25.822) ( 0.01, 0.07, 0.02) 251: angle ( 20.852, -42.145, 9.628) ( 20.855, -42.143, 9.631) ( 0.01, 0.01, 0.03) 251: strbnd (-22.777, 13.988, -5.015) (-22.779, 13.987, -5.016) ( 0.01, 0.01, 0.03) 251: torsion ( 0.321, 0.437, 0.397) ( 0.321, 0.437, 0.397) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -4.001, -4.773, -0.834) ( -4.001, -4.773, -0.833) ( 0.00, 0.00, 0.01) 251: electro (-22.814, 39.068, -30.055) (-22.814, 39.068, -30.055) ( 0.00, 0.00, 0.00) 251: 9 ( -0.012, -0.016, 0.015) ( -0.010, -0.015, 0.019) ( 0.00, 0.00, 0.01) 251: bond ( 4.898, 2.108, -13.219) ( 4.899, 2.108, -13.215) ( 0.01, 0.00, 0.03) 251: angle (-15.468, 14.840, -3.366) (-15.467, 14.841, -3.366) ( 0.00, 0.01, 0.00) 251: strbnd ( 2.100, -0.558, 3.958) ( 2.100, -0.557, 3.957) ( 0.00, 0.00, 0.00) 251: torsion ( -0.237, 0.413, -0.022) ( -0.237, 0.413, -0.022) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.287, -9.907, -2.057) ( 2.287, -9.907, -2.057) ( 0.01, 0.00, 0.00) 251: electro ( 6.408, -6.914, 14.722) ( 6.408, -6.914, 14.722) ( 0.00, 0.00, 0.00) 251: 10 ( 0.005, 0.002, -0.008) ( 0.006, 0.006, -0.007) ( 0.00, 0.00, 0.00) 251: bond ( -0.622, 8.610, -1.046) ( -0.621, 8.614, -1.046) ( 0.00, 0.05, 0.01) 251: angle ( -2.836, -0.584, -3.128) ( -2.836, -0.584, -3.128) ( 0.03, 0.00, 0.03) 251: strbnd ( 3.566, -9.587, 2.403) ( 3.565, -9.587, 2.403) ( 0.00, 0.00, 0.00) 251: torsion ( 0.022, -0.015, -0.134) ( 0.022, -0.015, -0.134) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -6.627, -4.176, -5.962) ( -6.626, -4.176, -5.962) ( 0.00, 0.00, 0.00) 251: electro ( 6.502, 5.754, 7.859) ( 6.502, 5.754, 7.859) ( 0.00, 0.00, 0.00) 251: 11 ( 0.002, 0.013, 0.066) ( 0.007, 0.019, 0.072) ( 0.00, 0.01, 0.04) 251: bond ( 1.773, 2.387, -5.000) ( 1.776, 2.390, -4.997) ( 0.16, 0.12, 0.06) 251: angle ( 0.727, 15.938, -2.297) ( 0.730, 15.941, -2.294) ( 0.20, 0.02, 0.12) 251: strbnd ( 3.999, 0.582, 7.350) ( 3.998, 0.581, 7.349) ( 0.02, 0.04, 0.01) 251: torsion ( 0.269, -0.168, -0.155) ( 0.269, -0.168, -0.155) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw (-12.090, -5.836, -10.984) (-12.090, -5.836, -10.983) ( 0.00, 0.00, 0.00) 251: electro ( 5.324, -12.890, 11.152) ( 5.324, -12.890, 11.152) ( 0.00, 0.00, 0.00) 251: 12 ( 0.053, 0.047, 0.012) ( 0.059, 0.054, 0.016) ( 0.03, 0.03, 0.00) 248: 40 ( 0.840, -0.019, -0.312) ( 0.841, -0.018, -0.309) ( 0.11, 0.00, 0.07) 248: bond ( -1.264, 0.699, -1.919) ( -1.263, 0.699, -1.917) ( 0.07, 0.02, 0.11) 248: angle ( 0.476, 0.291, -0.208) ( 0.477, 0.292, -0.208) ( 0.02, 0.02, 0.00) 248: strbnd ( 0.323, 0.150, 1.507) ( 0.323, 0.150, 1.507) ( 0.00, 0.00, 0.00) 248: torsion ( 0.949, 0.716, -0.364) ( 0.949, 0.716, -0.364) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.355, -1.875, 0.672) ( 0.355, -1.875, 0.672) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 41 ( 0.302, 0.253, -0.644) ( 0.303, 0.254, -0.641) ( 0.04, 0.02, 0.15) 248: bond ( -1.052, 0.652, 1.694) ( -1.051, 0.653, 1.696) ( 0.08, 0.02, 0.13) 248: angle ( 1.336, 3.153, -0.385) ( 1.337, 3.153, -0.384) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.202, 0.175, -1.360) ( 0.202, 0.175, -1.360) ( 0.00, 0.00, 0.00) 248: torsion ( -0.348, -0.299, -0.101) ( -0.348, -0.299, -0.101) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.164, -3.428, -0.491) ( 0.164, -3.428, -0.491) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 42 ( 0.242, -0.051, 0.087) ( 0.243, -0.051, 0.090) ( 0.02, 0.00, 0.03) 248: bond ( 0.344, 0.091, -1.789) ( 0.344, 0.091, -1.786) ( 0.00, 0.00, 0.18) 248: angle ( -2.274, 1.718, -0.351) ( -2.274, 1.718, -0.351) ( 0.02, 0.03, 0.00) 248: strbnd ( 0.055, 0.966, 0.467) ( 0.055, 0.966, 0.467) ( 0.00, 0.00, 0.00) 248: torsion ( 0.347, 0.529, 0.094) ( 0.347, 0.529, 0.094) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.770, -3.355, 1.666) ( 1.770, -3.355, 1.666) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 43 ( 0.647, 0.422, -0.099) ( 0.648, 0.424, -0.099) ( 0.07, 0.12, 0.01) 248: bond ( -0.598, 1.361, 0.419) ( -0.597, 1.363, 0.420) ( 0.03, 0.19, 0.01) 248: angle ( 0.254, 1.061, -3.086) ( 0.255, 1.061, -3.085) ( 0.01, 0.01, 0.02) 248: strbnd ( 0.585, 0.274, -0.771) ( 0.585, 0.274, -0.771) ( 0.00, 0.00, 0.00) 248: torsion ( -0.431, -0.894, 2.291) ( -0.431, -0.894, 2.291) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.837, -1.379, 1.046) ( 0.837, -1.379, 1.046) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 44 ( -0.948, 0.980, 0.797) ( -0.947, 0.982, 0.799) ( 0.08, 0.11, 0.21) 248: bond ( -0.079, -0.094, -0.209) ( -0.078, -0.094, -0.207) ( 0.00, 0.00, 0.05) 248: angle ( -1.561, 3.754, -1.115) ( -1.561, 3.755, -1.115) ( 0.03, 0.01, 0.01) 248: strbnd ( -1.025, 0.299, 0.384) ( -1.025, 0.299, 0.384) ( 0.00, 0.00, 0.00) 248: torsion ( 0.309, -1.025, 0.349) ( 0.309, -1.025, 0.349) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.408, -1.954, 1.389) ( 1.408, -1.954, 1.389) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 45 ( 0.684, 0.907, 1.369) ( 0.687, 0.908, 1.370) ( 0.16, 0.08, 0.09) 248: bond ( -1.901, 0.820, 1.194) ( -1.899, 0.820, 1.195) ( 0.11, 0.03, 0.07) 248: angle ( -0.217, -0.147, -0.244) ( -0.216, -0.146, -0.243) ( 0.00, 0.01, 0.01) 248: strbnd ( -0.303, -0.559, -1.117) ( -0.303, -0.559, -1.117) ( 0.00, 0.00, 0.00) 248: torsion ( 1.043, 1.144, 0.873) ( 1.043, 1.144, 0.873) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 7 ( -2.162, -14.129, -24.316) ( -2.161, -14.129, -24.314) ( 0.04, 0.01, 0.01) 252: bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) 252: angle ( 1.840, -0.299, -0.578) ( 1.840, -0.299, -0.578) ( 0.02, 0.01, 0.01) 252: strbnd ( -1.909, 0.172, 0.297) ( -1.909, 0.172, 0.297) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.133, 0.077) ( 0.000, -0.133, 0.077) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 8 ( 27.568, -1.841, -1.569) ( 27.570, -1.840, -1.569) ( 0.01, 0.04, 0.04) 252: bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) 252: angle ( 0.000, -1.856, -0.010) ( 0.000, -1.856, -0.009) ( 0.00, 0.03, 0.00) 252: strbnd ( 0.304, 1.915, -0.000) ( 0.304, 1.915, -0.000) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, -0.000, -0.469) ( 0.000, 0.000, -0.469) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 9 (-11.584, 11.851, 21.981) (-11.583, 11.852, 21.983) ( 0.01, 0.01, 0.01) 252: bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) 252: angle ( -0.885, -1.619, 0.574) ( -0.885, -1.619, 0.574) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.798, 1.743, -0.296) ( 0.798, 1.743, -0.296) ( 0.00, 0.00, 0.00) 252: torsion ( -0.382, 0.135, -0.234) ( -0.382, 0.135, -0.234) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 10 (-10.930, 9.420, -22.678) (-10.929, 9.421, -22.676) ( 0.01, 0.01, 0.01) 252: bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) 252: angle ( -0.882, -1.631, -0.581) ( -0.882, -1.630, -0.581) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.799, 1.742, 0.299) ( 0.799, 1.742, 0.299) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, -0.000, -0.001) ( 0.001, -0.000, -0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 11 ( 27.570, 2.262, 0.809) ( 27.573, 2.263, 0.809) ( 0.01, 0.03, 0.05) 252: bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) 252: angle ( 0.001, 0.926, 1.618) ( 0.001, 0.926, 1.618) ( 0.00, 0.04, 0.03) 252: strbnd ( 0.305, -0.958, -1.660) ( 0.305, -0.958, -1.660) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.407, -0.235) ( -0.000, 0.407, -0.235) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 12 (-10.972, 14.917, -19.519) (-10.971, 14.918, -19.517) ( 0.01, 0.01, 0.01) 252: bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) 252: angle ( -0.889, 1.308, 1.118) ( -0.889, 1.309, 1.119) ( 0.03, 0.03, 0.02) 252: strbnd ( 0.798, -1.129, -1.364) ( 0.798, -1.129, -1.364) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 (-11.601, -24.965, 0.763) (-11.600, -24.963, 0.763) ( 0.01, 0.01, 0.05) 252: bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) 252: angle ( -0.888, 0.315, 1.704) ( -0.887, 0.315, 1.705) ( 0.03, 0.00, 0.03) 252: strbnd ( 0.799, -0.614, -1.659) ( 0.799, -0.614, -1.659) ( 0.00, 0.00, 0.00) 252: torsion ( -0.381, 0.135, -0.233) ( -0.381, 0.135, -0.233) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 10 # gradients 252: ok 11 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: vdw ( -1.916, -1.492, 0.852) ( -1.916, -1.492, 0.852) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 18 ( 3.357, 1.877, -3.735) ( 3.358, 1.877, -3.733) ( 0.04, 0.05, 0.07) 250: bond ( -0.951, 0.766, -1.640) ( -0.950, 0.766, -1.638) ( 0.07, 0.04, 0.14) 250: angle ( 4.217, 2.283, -1.378) ( 4.217, 2.284, -1.377) ( 0.01, 0.02, 0.01) 250: strbnd ( 2.195, 0.574, 0.319) ( 2.195, 0.574, 0.319) ( 0.00, 0.00, 0.00) 250: torsion ( -0.003, 0.007, 0.005) ( -0.003, 0.007, 0.005) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.102, -1.754, -1.042) ( -2.101, -1.754, -1.042) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 19 ( -0.949, 1.850, -2.966) ( -0.948, 1.851, -2.963) ( 0.08, 0.03, 0.10) 250: bond ( 0.687, 0.547, -1.969) ( 0.688, 0.547, -1.967) ( 0.02, 0.01, 0.15) 250: angle ( -2.117, 0.190, -0.687) ( -2.116, 0.190, -0.687) ( 0.02, 0.01, 0.01) 250: strbnd ( -1.351, -0.031, 0.069) ( -1.351, -0.031, 0.069) ( 0.00, 0.00, 0.00) 250: torsion ( -0.009, 1.445, 0.399) ( -0.009, 1.445, 0.399) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.840, -0.300, -0.777) ( 1.840, -0.300, -0.777) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( 3.215, -1.417, 1.360) ( 3.216, -1.414, 1.361) ( 0.03, 0.21, 0.04) 250: bond ( 0.757, -1.956, 0.504) ( 0.757, -1.953, 0.504) ( 0.03, 0.15, 0.01) 250: angle ( -2.944, -1.085, 0.217) ( -2.943, -1.085, 0.218) ( 0.02, 0.01, 0.01) 250: strbnd ( -1.362, 0.055, -0.006) ( -1.362, 0.055, -0.006) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.012, -0.046) ( -0.000, -0.012, -0.046) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 6.765, 1.580, 0.691) ( 6.765, 1.580, 0.691) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 21 ( 1.306, 2.523, 1.573) ( 1.307, 2.525, 1.575) ( 0.07, 0.07, 0.12) 250: bond ( 0.773, 1.536, 1.536) ( 0.773, 1.538, 1.538) ( 0.03, 0.10, 0.10) 250: angle ( -2.380, 0.642, 0.554) ( -2.380, 0.642, 0.554) ( 0.02, 0.02, 0.01) 250: strbnd ( -1.349, -0.045, -0.017) ( -1.349, -0.045, -0.017) ( 0.00, 0.00, 0.00) 250: torsion ( -0.038, 1.895, -1.876) ( -0.038, 1.895, -1.876) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.301, -1.506, 1.375) ( 4.301, -1.506, 1.375) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 ( -3.084, 0.782, 1.224) ( -3.081, 0.783, 1.225) ( 0.08, 0.05, 0.13) 250: bond ( -1.870, -0.110, 1.417) ( -1.868, -0.110, 1.418) ( 0.12, 0.00, 0.09) 250: angle ( 0.520, -2.593, 0.484) ( 0.520, -2.593, 0.484) ( 0.01, 0.02, 0.01) 250: strbnd ( 0.654, -1.205, 0.011) ( 0.654, -1.205, 0.011) ( 0.00, 0.00, 0.00) 250: torsion ( -1.641, -0.927, -2.234) ( -1.641, -0.927, -2.234) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.746, 5.617, 1.547) ( -0.746, 5.617, 1.547) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( -2.117, 4.656, 0.658) ( -2.116, 4.658, 0.658) ( 0.09, 0.05, 0.05) 250: bond ( 1.483, 1.776, 0.765) ( 1.485, 1.778, 0.766) ( 0.09, 0.10, 0.03) 251: bond ( 12.471, 8.264, -8.201) ( 12.475, 8.269, -8.198) ( 0.03, 0.05, 0.04) 251: angle ( -4.431, -3.492, 12.184) ( -4.428, -3.490, 12.186) ( 0.05, 0.06, 0.02) 251: strbnd ( -0.524, -0.135, -1.592) ( -0.525, -0.135, -1.593) ( 0.04, 0.01, 0.09) 251: torsion ( 0.324, 0.205, -0.795) ( 0.324, 0.205, -0.795) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -2.153, -5.825, 12.012) ( -2.153, -5.825, 12.012) ( 0.01, 0.00, 0.00) 251: electro ( -5.634, 1.031, -13.597) ( -5.634, 1.031, -13.597) ( 0.00, 0.00, 0.00) 251: 13 ( -0.033, 0.044, -0.066) ( -0.028, 0.050, -0.060) ( 0.02, 0.02, 0.04) 251: bond ( -1.022, 2.769, -11.636) ( -1.018, 2.773, -11.632) ( 0.38, 0.15, 0.04) 251: angle ( 2.667, -0.692, 3.803) ( 2.669, -0.690, 3.805) ( 0.08, 0.14, 0.05) 251: strbnd ( -0.724, -0.340, -1.109) ( -0.725, -0.341, -1.109) ( 0.06, 0.02, 0.06) 251: torsion ( 0.405, 1.098, -1.920) ( 0.405, 1.098, -1.920) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -1.359, -2.790, 10.796) ( -1.359, -2.790, 10.796) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 14 ( 0.007, -0.025, 0.013) ( 0.013, -0.021, 0.019) ( 0.00, 0.01, 0.01) 251: bond ( 11.175, -20.171, 13.213) ( 11.179, -20.168, 13.217) ( 0.04, 0.02, 0.03) 251: angle ( 2.571, 9.759, 3.518) ( 2.573, 9.761, 3.520) ( 0.08, 0.02, 0.06) 251: strbnd ( -2.280, 2.701, -3.055) ( -2.280, 2.700, -3.056) ( 0.02, 0.05, 0.02) 251: torsion ( -0.110, -0.615, 0.673) ( -0.110, -0.615, 0.673) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.374, 10.869, -0.069) ( 0.374, 10.869, -0.069) ( 0.01, 0.00, 0.00) 251: electro (-11.723, -2.568, -14.267) (-11.723, -2.568, -14.267) ( 0.00, 0.00, 0.00) 251: 15 ( 0.013, -0.037, -0.024) ( 0.019, -0.032, -0.019) ( 0.01, 0.02, 0.01) 251: bond ( -3.351, -12.352, -4.364) ( -3.347, -12.347, -4.360) ( 0.12, 0.03, 0.09) 251: angle ( 1.262, 4.111, 2.963) ( 1.264, 4.113, 2.965) ( 0.16, 0.05, 0.07) 251: strbnd ( 0.414, -1.051, 0.669) ( 0.413, -1.052, 0.669) ( 0.03, 0.07, 0.04) 251: torsion ( 0.521, -2.349, -0.078) ( 0.521, -2.349, -0.078) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 1.168, 11.604, 0.785) ( 1.168, 11.604, 0.785) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 16 ( -0.001, 0.047, -0.037) ( 0.003, 0.054, -0.031) ( 0.00, 0.03, 0.02) 251: bond (-10.254, 10.924, 12.441) (-10.251, 10.929, 12.446) ( 0.03, 0.04, 0.03) 251: angle ( 11.832, -5.832, 1.537) ( 11.834, -5.830, 1.540) ( 0.02, 0.04, 0.14) 251: strbnd ( 3.079, -1.593, -1.792) ( 3.078, -1.593, -1.793) ( 0.04, 0.03, 0.03) 251: torsion ( -0.671, 0.413, 0.394) ( -0.671, 0.413, 0.394) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 10.629, -5.544, -4.869) ( 10.629, -5.544, -4.869) ( 0.00, 0.00, 0.00) 251: electro (-14.616, 1.679, -7.750) (-14.616, 1.679, -7.750) ( 0.00, 0.00, 0.00) 251: 17 ( 0.044, -0.013, -0.069) ( 0.050, -0.007, -0.064) ( 0.02, 0.01, 0.04) 251: bond (-11.600, 1.517, 0.561) (-11.596, 1.521, 0.565) ( 0.04, 0.28, 0.22) 251: angle ( 4.361, 1.078, 1.006) ( 4.363, 1.080, 1.008) ( 0.05, 0.19, 0.21) 251: strbnd ( -1.688, -0.141, -0.612) ( -1.689, -0.142, -0.613) ( 0.04, 0.01, 0.05) 251: torsion ( -1.913, 0.730, 0.873) ( -1.913, 0.730, 0.873) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: angle ( 2.624, -2.307, 0.268) ( 2.625, -2.307, 0.268) ( 0.01, 0.01, 0.01) 250: strbnd ( 0.634, -1.241, -0.006) ( 0.634, -1.242, -0.006) ( 0.00, 0.00, 0.00) 250: torsion ( 0.579, 0.295, -1.806) ( 0.579, 0.295, -1.806) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -7.437, 6.134, 1.436) ( -7.437, 6.134, 1.436) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( -0.478, -1.559, -3.030) ( -0.478, -1.559, -3.027) ( 0.03, 0.04, 0.10) 250: bond ( -0.615, 0.404, -1.895) ( -0.615, 0.404, -1.892) ( 0.02, 0.01, 0.16) 250: angle ( 0.873, -1.806, -0.669) ( 0.873, -1.806, -0.669) ( 0.04, 0.03, 0.01) 250: strbnd ( 0.665, -1.206, 0.041) ( 0.665, -1.206, 0.041) ( 0.00, 0.00, 0.00) 250: torsion ( -0.889, -0.485, 0.185) ( -0.890, -0.485, 0.185) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.512, 1.534, -0.692) ( -0.512, 1.534, -0.692) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 20 # gradients 250: ok 21 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.062, -0.352, 0.663) ( 2.062, -0.352, 0.663) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 46 ( 0.367, -0.348, 0.007) ( 0.368, -0.346, 0.010) ( 0.03, 0.04, 0.00) 248: bond ( -0.743, 1.942, 5.648) ( -0.743, 1.943, 5.651) ( 0.01, 0.02, 0.05) 248: angle ( -0.834, 2.429, -0.945) ( -0.833, 2.430, -0.945) ( 0.05, 0.03, 0.01) 248: strbnd ( -0.401, -0.284, -2.968) ( -0.401, -0.284, -2.968) ( 0.00, 0.00, 0.00) 248: torsion ( -0.439, -1.217, 0.361) ( -0.439, -1.217, 0.361) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.784, -3.218, -2.089) ( 2.784, -3.218, -2.089) ( 0.00, 0.01, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 47 ( 0.015, -0.265, 0.203) ( 0.016, -0.264, 0.204) ( 0.00, 0.04, 0.03) 248: bond ( 0.405, -0.387, -0.424) ( 0.406, -0.386, -0.423) ( 0.05, 0.04, 0.05) 248: angle ( -2.172, -2.780, 0.450) ( -2.171, -2.779, 0.451) ( 0.02, 0.01, 0.02) 248: strbnd ( -0.734, 0.044, 1.793) ( -0.734, 0.044, 1.793) ( 0.00, 0.00, 0.00) 248: torsion ( -0.276, -0.075, -0.196) ( -0.276, -0.075, -0.196) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.791, 2.933, -1.421) ( 2.791, 2.933, -1.421) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 48 ( -0.723, -0.153, -2.370) ( -0.721, -0.151, -2.369) ( 0.12, 0.03, 0.05) 248: bond ( -0.977, 1.037, 0.786) ( -0.976, 1.038, 0.787) ( 0.12, 0.13, 0.06) 248: angle ( -0.242, 0.074, -0.397) ( -0.241, 0.074, -0.397) ( 0.01, 0.00, 0.01) 248: strbnd ( 0.015, -0.149, -2.101) ( 0.015, -0.149, -2.101) ( 0.00, 0.00, 0.00) 248: torsion ( -0.303, 0.391, -0.890) ( -0.303, 0.391, -0.890) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.783, -1.505, 0.233) ( 0.783, -1.505, 0.233) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 49 ( 0.608, -1.419, -1.523) ( 0.609, -1.418, -1.520) ( 0.04, 0.06, 0.21) 248: bond ( -0.234, 0.800, -3.501) ( -0.234, 0.800, -3.498) ( 0.00, 0.01, 0.09) 248: angle ( -0.364, -2.283, -0.498) ( -0.363, -2.283, -0.498) ( 0.02, 0.02, 0.00) 248: strbnd ( -1.308, 0.802, 1.925) ( -1.308, 0.802, 1.925) ( 0.00, 0.00, 0.00) 248: torsion ( 1.209, -1.267, -0.371) ( 1.209, -1.267, -0.371) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.305, 0.529, 0.922) ( 1.305, 0.529, 0.922) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 50 ( -1.926, -0.688, -1.325) ( -1.925, -0.687, -1.323) ( 0.05, 0.11, 0.15) 248: bond ( 1.132, -1.684, -2.127) ( 1.132, -1.683, -2.125) ( 0.04, 0.07, 0.08) 248: angle ( -0.386, 0.713, -0.771) ( -0.386, 0.714, -0.771) ( 0.02, 0.03, 0.02) 248: strbnd ( -0.234, -0.477, 1.916) ( -0.234, -0.478, 1.916) ( 0.00, 0.00, 0.00) 248: torsion ( -0.839, 0.814, -1.092) ( -0.839, 0.814, -1.092) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.600, -0.054, 0.749) ( -1.600, -0.054, 0.749) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 51 ( 0.141, -0.997, -1.237) ( 0.142, -0.996, -1.234) ( 0.01, 0.10, 0.23) 248: bond ( -0.459, 0.602, -1.366) ( -0.459, 0.603, -1.364) ( 0.01, 0.03, 0.19) 252: 1 (-94.849, 134.077, -232.261) (-94.840, 134.085, -232.257) ( 0.01, 0.01, 0.00) 252: bond (-98.615, 139.541, -241.698) (-98.607, 139.548, -241.694) ( 0.01, 0.01, 0.00) 252: angle (-17.077, 24.042, -41.606) (-17.076, 24.043, -41.605) ( 0.01, 0.00, 0.00) 252: strbnd ( 20.845, -29.505, 51.044) ( 20.845, -29.506, 51.044) ( 0.00, 0.00, 0.00) 252: torsion ( -0.002, -0.001, -0.002) ( -0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 2 (267.229, 1.097, -1.985) (267.239, 1.101, -1.981) ( 0.00, 0.37, 0.20) 252: bond (324.092, 0.002, 0.003) (324.102, 0.005, 0.006) ( 0.00, 0.00, 0.00) 252: angle ( -7.067, -9.049, 15.613) ( -7.066, -9.047, 15.614) ( 0.02, 0.02, 0.01) 252: strbnd (-54.347, 8.796, -15.254) (-54.349, 8.796, -15.255) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, 0.001, -0.000) ( 0.000, 0.001, -0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 (-92.994, -251.370, -1.993) (-92.989, -251.361, -1.989) ( 0.01, 0.00, 0.20) 252: bond (-108.221, -305.529, -0.016) (-108.218, -305.520, -0.013) ( 0.00, 0.00, 0.00) 252: angle ( 10.871, 3.619, 15.618) ( 10.872, 3.621, 15.619) ( 0.01, 0.04, 0.01) 252: strbnd ( 9.840, 54.186, -15.254) ( 9.840, 54.184, -15.254) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, -0.000, 0.003) ( 0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 4 (-92.879, 127.455, 216.653) (-92.874, 127.461, 216.661) ( 0.01, 0.00, 0.00) 252: bond (-107.982, 152.791, 264.561) (-107.978, 152.795, 264.568) ( 0.00, 0.00, 0.00) 252: angle ( 10.825, -15.317, 4.617) ( 10.827, -15.315, 4.619) ( 0.01, 0.01, 0.03) 252: strbnd ( 9.798, -13.878, -54.515) ( 9.798, -13.878, -54.516) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 ( 14.020, 33.684, -0.046) ( 14.021, 33.686, -0.046) ( 0.01, 0.01, 0.00) 252: bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) 252: angle ( 2.316, 0.820, -0.007) ( 2.316, 0.820, -0.006) ( 0.02, 0.00, 0.00) 252: strbnd ( 13.869, 5.072, 0.000) ( 13.869, 5.072, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 6 ( 7.090, -16.075, 27.884) ( 7.091, -16.074, 27.886) ( 0.01, 0.01, 0.01) 252: bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) 252: angle ( 2.371, -0.399, 0.737) ( 2.371, -0.398, 0.737) ( 0.02, 0.01, 0.01) 252: strbnd ( 13.871, -2.534, 4.389) ( 13.871, -2.534, 4.389) ( 0.00, 0.00, 0.00) 251: vdw ( 10.884, -3.197, -1.897) ( 10.884, -3.196, -1.897) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 18 ( -0.052, 0.010, 0.016) ( -0.046, 0.015, 0.022) ( 0.03, 0.01, 0.01) 251: bond ( -8.989, -3.786, -7.821) ( -8.985, -3.782, -7.817) ( 0.04, 0.10, 0.05) 251: angle ( -7.201, -4.293, -6.623) ( -7.199, -4.291, -6.620) ( 0.03, 0.05, 0.03) 251: strbnd ( 0.874, 0.570, 0.666) ( 0.873, 0.569, 0.665) ( 0.06, 0.05, 0.05) 251: torsion ( 3.308, 1.707, 2.879) ( 3.308, 1.708, 2.879) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 11.956, 5.812, 10.915) ( 11.956, 5.812, 10.915) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 19 ( -0.010, -0.054, -0.000) ( -0.010, -0.051, 0.000) ( 0.00, 0.02, 0.00) 251: bond ( 0.153, 1.775, -0.001) ( 0.153, 1.779, -0.001) ( 0.00, 0.19, 0.00) 251: angle ( 0.670, -0.060, -4.842) ( 0.670, -0.060, -4.841) ( 0.03, 0.00, 0.01) 251: strbnd ( 0.815, 0.040, -1.119) ( 0.815, 0.040, -1.119) ( 0.00, 0.00, 0.00) 251: torsion ( -0.405, 0.035, 0.864) ( -0.405, 0.035, 0.864) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -1.243, -1.845, 5.098) ( -1.243, -1.845, 5.098) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 20 ( -0.030, 0.008, -0.000) ( -0.027, 0.009, 0.001) ( 0.01, 0.00, 0.00) 251: bond ( 1.090, -0.510, -0.354) ( 1.093, -0.510, -0.354) ( 0.24, 0.03, 0.01) 251: angle ( -1.149, 1.385, -5.542) ( -1.148, 1.385, -5.542) ( 0.01, 0.03, 0.01) 251: strbnd ( 0.136, 1.058, -0.892) ( 0.136, 1.058, -0.892) ( 0.00, 0.00, 0.00) 251: torsion ( -0.156, -0.327, -0.012) ( -0.156, -0.327, -0.012) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.048, -1.599, 6.800) ( 0.048, -1.599, 6.800) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 21 ( 0.026, -0.047, 0.017) ( 0.027, -0.045, 0.018) ( 0.00, 0.01, 0.00) 251: bond ( -1.201, 2.098, -1.005) ( -1.200, 2.100, -1.004) ( 0.06, 0.10, 0.05) 251: angle ( 1.262, -0.296, -2.127) ( 1.262, -0.296, -2.126) ( 0.04, 0.01, 0.02) 251: strbnd ( 0.580, -0.948, -0.176) ( 0.580, -0.948, -0.176) ( 0.00, 0.00, 0.00) 251: torsion ( -0.425, -0.185, 0.120) ( -0.425, -0.185, 0.120) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( -0.190, -0.716, 3.204) ( -0.190, -0.716, 3.204) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 22 ( -0.010, 0.005, 0.009) ( -0.009, 0.007, 0.011) ( 0.00, 0.00, 0.00) 251: bond ( 1.021, -1.244, -1.972) ( 1.022, -1.244, -1.970) ( 0.05, 0.07, 0.10) 251: angle ( 0.097, 2.258, -1.376) ( 0.097, 2.259, -1.375) ( 0.00, 0.02, 0.01) 251: strbnd ( -0.623, 0.860, 0.374) ( -0.623, 0.860, 0.374) ( 0.00, 0.00, 0.00) 251: torsion ( -0.785, -0.995, 0.221) ( -0.785, -0.995, 0.221) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.280, -0.873, 2.761) ( 0.280, -0.873, 2.761) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 23 ( -0.000, -0.002, -0.005) ( 0.003, -0.001, -0.004) ( 0.00, 0.00, 0.00) 251: bond ( -2.170, 0.852, 0.493) ( -2.167, 0.853, 0.494) ( 0.13, 0.04, 0.01) 250: 1 ( 0.967, 0.259, -0.197) ( 0.972, 0.264, -0.191) ( 0.49, 0.14, 0.12) 250: bond ( 0.905, 2.623, 8.120) ( 0.909, 2.627, 8.124) ( 0.37, 0.15, 0.05) 250: angle ( 7.385, 0.772, -9.892) ( 7.388, 0.774, -9.889) ( 0.03, 0.16, 0.02) 250: strbnd ( 0.181, 1.490, -0.840) ( 0.180, 1.489, -0.841) ( 0.02, 0.06, 0.05) 250: torsion ( -3.658, -1.057, 2.616) ( -3.658, -1.057, 2.616) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.221, -3.068, -0.045) ( -3.221, -3.068, -0.045) ( 0.00, 0.00, 0.00) 250: electro ( -0.625, -0.501, -0.156) ( -0.625, -0.501, -0.156) ( 0.00, 0.00, 0.00) 250: 2 ( 0.736, 0.034, 0.004) ( 0.742, 0.039, 0.010) ( 0.41, 0.02, 0.00) 250: bond ( 11.123, -1.351, -2.048) ( 11.127, -1.347, -2.044) ( 0.04, 0.29, 0.21) 250: angle ( -8.045, 1.278, 9.737) ( -8.043, 1.280, 9.739) ( 0.03, 0.16, 0.02) 250: strbnd ( 0.965, -2.280, 1.631) ( 0.965, -2.281, 1.630) ( 0.07, 0.04, 0.02) 250: torsion ( 4.294, 0.736, -3.479) ( 4.294, 0.736, -3.478) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -7.601, 1.652, -5.836) ( -7.601, 1.652, -5.836) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( 0.562, 0.076, -0.092) ( 0.566, 0.081, -0.087) ( 0.27, 0.04, 0.05) 250: bond ( 6.097, -9.677, 17.390) ( 6.101, -9.673, 17.394) ( 0.06, 0.04, 0.02) 250: angle ( -1.378, 4.252, -13.110) ( -1.376, 4.254, -13.108) ( 0.15, 0.05, 0.02) 250: strbnd ( 0.257, 0.181, -0.552) ( 0.256, 0.180, -0.552) ( 0.03, 0.01, 0.03) 250: torsion ( -0.355, 2.764, 0.802) ( -0.355, 2.764, 0.802) ( 0.00, 0.00, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.059, 2.557, -4.623) ( -4.059, 2.557, -4.623) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 4 ( 1.701, 0.453, 0.308) ( 1.706, 0.472, 0.382) ( 0.30, 0.89, 2.27) 250: bond ( 8.642, 10.885, -8.146) ( 8.646, 10.889, -8.142) ( 0.04, 0.04, 0.05) 250: angle ( -7.598, -8.113, 12.883) ( -7.596, -8.111, 12.884) ( 0.03, 0.02, 0.01) 250: strbnd ( -1.384, 1.903, -1.050) ( -1.385, 1.903, -1.050) ( 0.08, 0.03, 0.05) 250: torsion ( 3.685, 2.177, -4.847) ( 3.685, 2.177, -4.846) ( 0.00, 0.00, 0.00) 250: oop ( -0.002, -0.088, -0.446) ( -0.002, -0.075, -0.377) ( 0.00, 0.12, 3.03) 250: vdw ( -1.895, -6.707, 1.430) ( -1.894, -6.706, 1.430) ( 0.00, 0.00, 0.00) 250: electro ( 0.253, 0.395, 0.484) ( 0.253, 0.395, 0.484) ( 0.00, 0.00, 0.00) 250: 5 ( -7.881, 4.561, -0.394) ( -7.870, 4.527, -0.600) ( 0.14, 0.76, 8.12) 250: bond (-12.705, 14.137, -1.636) (-12.697, 14.141, -1.636) ( 0.06, 0.03, 0.02) 250: angle ( 1.253, 3.126, -9.477) ( 1.254, 3.128, -9.476) ( 0.12, 0.05, 0.01) 250: strbnd ( 1.419, -3.117, 0.027) ( 1.419, -3.117, 0.027) ( 0.04, 0.02, 0.00) 250: torsion ( -0.255, 1.581, 7.797) ( -0.255, 1.581, 7.798) ( 0.00, 0.00, 0.01) 250: oop ( -0.011, 0.244, 1.272) ( -0.008, 0.203, 1.063) ( 0.00, 0.98, 16.38) 250: vdw ( 0.999, -11.742, 1.783) ( 0.999, -11.742, 1.783) ( 0.02, 0.00, 0.00) 250: electro ( 1.419, 0.332, -0.159) ( 1.419, 0.332, -0.159) ( 0.00, 0.00, 0.00) 250: 6 ( 8.807, -4.640, 1.194) ( 8.816, -4.626, 1.216) ( 0.11, 0.29, 1.77) 250: bond ( 3.884, 4.853, -0.204) ( 3.892, 4.858, -0.204) ( 0.19, 0.11, 0.01) 250: angle ( 1.621, -0.921, 2.154) ( 1.622, -0.919, 2.155) ( 0.08, 0.16, 0.02) 250: strbnd ( -1.690, 1.656, -0.349) ( -1.691, 1.655, -0.349) ( 0.04, 0.03, 0.00) 248: angle ( -4.840, -2.593, 0.483) ( -4.839, -2.592, 0.483) ( 0.01, 0.02, 0.01) 248: strbnd ( -0.066, -0.914, -1.669) ( -0.066, -0.914, -1.669) ( 0.00, 0.00, 0.00) 248: torsion ( 0.609, -0.569, -0.456) ( 0.609, -0.569, -0.456) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.897, 2.477, 1.772) ( 4.897, 2.477, 1.772) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 52 ( -2.339, 0.741, 1.932) ( -2.338, 0.742, 1.935) ( 0.04, 0.05, 0.15) 248: bond ( -0.579, 0.431, -1.609) ( -0.579, 0.431, -1.606) ( 0.02, 0.01, 0.17) 248: angle ( -0.609, 2.084, 0.779) ( -0.609, 2.085, 0.779) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.098, 0.859, 1.399) ( 0.098, 0.859, 1.399) ( 0.00, 0.00, 0.00) 248: torsion ( -0.384, -0.338, 0.048) ( -0.384, -0.338, 0.048) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.864, -2.295, 1.315) ( -0.864, -2.295, 1.315) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 53 ( 0.056, -1.491, 2.539) ( 0.057, -1.489, 2.541) ( 0.01, 0.13, 0.06) 248: bond ( -1.594, 2.825, 2.595) ( -1.593, 2.827, 2.597) ( 0.03, 0.05, 0.05) 248: angle ( -1.514, -2.295, 1.569) ( -1.514, -2.295, 1.569) ( 0.03, 0.01, 0.02) 248: strbnd ( 0.494, -0.602, -2.308) ( 0.494, -0.602, -2.308) ( 0.00, 0.00, 0.00) 248: torsion ( 1.240, -0.042, 0.806) ( 1.240, -0.042, 0.806) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.431, -1.377, -0.123) ( 1.431, -1.377, -0.123) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 54 ( -1.751, -1.353, 0.152) ( -1.750, -1.352, 0.155) ( 0.04, 0.06, 0.05) 248: bond ( -0.353, 0.090, 4.018) ( -0.353, 0.090, 4.021) ( 0.00, 0.00, 0.08) 248: angle ( -0.173, -0.584, -0.002) ( -0.173, -0.583, -0.002) ( 0.01, 0.04, 0.00) 248: strbnd ( 0.100, -0.938, -1.958) ( 0.100, -0.938, -1.958) ( 0.00, 0.00, 0.00) 248: torsion ( -1.477, -0.328, -0.122) ( -1.476, -0.328, -0.122) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.153, 0.407, -1.784) ( 0.153, 0.407, -1.784) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 55 ( -0.691, -0.566, -0.526) ( -0.688, -0.566, -0.525) ( 0.22, 0.04, 0.04) 248: bond ( -0.658, -0.057, -0.193) ( -0.655, -0.057, -0.193) ( 0.21, 0.00, 0.01) 248: angle ( 0.205, -4.548, 0.655) ( 0.205, -4.547, 0.655) ( 0.00, 0.01, 0.03) 248: strbnd ( -0.169, -0.573, -0.356) ( -0.169, -0.573, -0.356) ( 0.00, 0.00, 0.00) 248: torsion ( 0.064, 0.110, -0.250) ( 0.064, 0.110, -0.250) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.132, 4.501, -0.381) ( -0.132, 4.502, -0.381) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 56 ( -1.939, -2.205, 0.809) ( -1.938, -2.204, 0.812) ( 0.03, 0.03, 0.27) 248: bond ( -0.033, -0.223, -1.036) ( -0.033, -0.223, -1.033) ( 0.00, 0.00, 0.31) 248: angle ( 0.267, -3.200, 0.682) ( 0.267, -3.200, 0.682) ( 0.01, 0.02, 0.00) 248: strbnd ( 0.445, -0.392, 0.323) ( 0.445, -0.392, 0.323) ( 0.00, 0.00, 0.00) 248: torsion ( -0.267, -0.189, 0.049) ( -0.267, -0.189, 0.049) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.350, 1.799, 0.791) ( -2.350, 1.799, 0.791) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 7 ( 14.159, -16.794, -29.238) ( 14.160, -16.793, -29.236) ( 0.01, 0.01, 0.01) 252: bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) 252: angle ( 2.378, -0.394, -0.743) ( 2.378, -0.394, -0.742) ( 0.02, 0.01, 0.01) 252: strbnd ( 13.873, -2.530, -4.384) ( 13.873, -2.530, -4.384) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.001, 0.000) ( 0.000, -0.001, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 8 ( 27.412, -19.113, -1.101) ( 27.414, -19.112, -1.100) ( 0.01, 0.00, 0.05) 252: bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) 252: angle ( -0.000, -2.447, -0.010) ( 0.000, -2.447, -0.009) ( 0.00, 0.02, 0.00) 252: strbnd ( 0.148, -14.767, -0.000) ( 0.148, -14.767, -0.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 9 (-19.291, -2.738, 27.067) (-19.291, -2.737, 27.069) ( 0.00, 0.04, 0.01) 252: bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) 252: angle ( -1.157, -2.100, 0.740) ( -1.157, -2.099, 0.740) ( 0.03, 0.02, 0.01) 252: strbnd ( -7.020, -12.229, 4.389) ( -7.020, -12.229, 4.389) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 10 (-19.016, -5.032, -27.526) (-19.015, -5.031, -27.524) ( 0.00, 0.02, 0.01) 252: bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) 252: angle ( -1.152, -2.108, -0.747) ( -1.152, -2.107, -0.746) ( 0.03, 0.02, 0.01) 252: strbnd ( -7.016, -12.234, -4.385) ( -7.016, -12.234, -4.385) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, -0.000, -0.000) ( 0.001, -0.000, -0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 11 ( 27.424, 10.493, 15.999) ( 27.427, 10.494, 16.000) ( 0.01, 0.01, 0.00) 252: bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) 252: angle ( 0.001, 1.221, 2.128) ( 0.001, 1.221, 2.129) ( 0.00, 0.03, 0.02) 252: strbnd ( 0.159, 7.384, 12.785) ( 0.159, 7.384, 12.785) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 12 (-19.052, 26.348, -9.424) (-19.051, 26.349, -9.422) ( 0.00, 0.00, 0.02) 252: bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) 252: angle ( -1.160, 1.692, 1.451) ( -1.160, 1.692, 1.451) ( 0.03, 0.02, 0.01) 252: strbnd ( -7.010, 9.918, 8.398) ( -7.010, 9.918, 8.398) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 (-19.294, -22.069, 15.940) (-19.293, -22.066, 15.940) ( 0.00, 0.01, 0.00) 252: bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) 252: angle ( -1.157, 0.410, 2.200) ( -1.157, 0.410, 2.200) ( 0.03, 0.00, 0.02) 252: strbnd ( -7.007, 2.322, 12.788) ( -7.007, 2.322, 12.788) ( 0.00, 0.00, 0.00) 252: torsion ( 0.002, -0.001, 0.001) ( 0.002, -0.001, 0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 12 # gradients 252: ok 13 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 251: angle ( -2.709, -4.551, -4.037) ( -2.709, -4.550, -4.036) ( 0.00, 0.01, 0.01) 251: strbnd ( 0.176, -2.037, 0.838) ( 0.176, -2.037, 0.838) ( 0.00, 0.00, 0.00) 251: torsion ( 0.238, 0.878, -0.470) ( 0.238, 0.878, -0.470) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 4.466, 4.856, 3.170) ( 4.466, 4.856, 3.170) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 24 ( -0.002, 0.009, -0.015) ( -0.001, 0.010, -0.012) ( 0.00, 0.00, 0.00) 251: bond ( 0.707, 0.613, -2.070) ( 0.707, 0.614, -2.067) ( 0.02, 0.02, 0.14) 251: angle ( -4.504, -2.559, -2.301) ( -4.503, -2.559, -2.301) ( 0.01, 0.02, 0.01) 251: strbnd ( 0.695, -2.064, 0.376) ( 0.695, -2.064, 0.376) ( 0.00, 0.00, 0.00) 251: torsion ( -0.221, -0.053, -0.091) ( -0.221, -0.053, -0.091) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 3.321, 4.072, 4.071) ( 3.321, 4.072, 4.071) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 25 ( -0.009, -0.007, -0.002) ( -0.007, -0.005, -0.001) ( 0.00, 0.00, 0.00) 251: bond ( -1.648, -1.647, 1.112) ( -1.647, -1.646, 1.112) ( 0.08, 0.08, 0.06) 251: angle ( 1.712, -2.113, -0.592) ( 1.713, -2.113, -0.591) ( 0.02, 0.01, 0.03) 251: strbnd ( 0.745, 0.180, -0.903) ( 0.745, 0.180, -0.903) ( 0.00, 0.00, 0.00) 251: torsion ( -1.112, 0.821, -0.431) ( -1.112, 0.821, -0.431) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.294, 2.752, 0.812) ( 0.294, 2.752, 0.812) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 26 ( -0.008, 0.000, 0.010) ( -0.007, 0.001, 0.012) ( 0.00, 0.00, 0.00) 251: bond ( 1.332, -1.438, -1.930) ( 1.333, -1.438, -1.928) ( 0.06, 0.06, 0.09) 251: angle ( -0.781, -2.060, 0.995) ( -0.781, -2.059, 0.995) ( 0.03, 0.02, 0.03) 251: strbnd ( -0.923, 0.023, 0.780) ( -0.923, 0.023, 0.780) ( 0.00, 0.00, 0.00) 251: torsion ( -0.202, 0.234, -0.314) ( -0.202, 0.234, -0.314) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.566, 3.241, 0.479) ( 0.566, 3.241, 0.479) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 27 ( 0.005, -0.016, 0.014) ( 0.006, -0.015, 0.017) ( 0.00, 0.00, 0.00) 251: bond ( -0.381, -0.596, 1.972) ( -0.381, -0.596, 1.975) ( 0.00, 0.02, 0.15) 251: angle ( -5.129, 2.087, -0.360) ( -5.128, 2.087, -0.360) ( 0.01, 0.02, 0.00) 251: strbnd ( -1.239, 1.214, 0.126) ( -1.239, 1.214, 0.126) ( 0.00, 0.00, 0.00) 251: torsion ( 0.569, -0.651, -0.087) ( 0.569, -0.651, -0.087) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 6.185, -2.069, -1.637) ( 6.186, -2.069, -1.637) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 28 ( 0.001, -0.026, -0.001) ( 0.001, -0.023, 0.000) ( 0.00, 0.01, 0.00) 251: bond ( 0.029, 2.103, -0.090) ( 0.029, 2.106, -0.090) ( 0.00, 0.16, 0.00) 251: angle ( -3.823, 0.096, 0.999) ( -3.823, 0.096, 0.999) ( 0.02, 0.00, 0.05) 251: strbnd ( -1.408, 0.111, 1.022) ( -1.408, 0.111, 1.022) ( 0.00, 0.00, 0.00) 251: torsion ( 0.186, -0.014, -0.265) ( 0.186, -0.014, -0.265) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 5.016, -2.322, -1.666) ( 5.016, -2.322, -1.666) ( 0.00, 0.00, 0.00) 250: torsion ( -0.062, -0.722, -2.668) ( -0.062, -0.722, -2.667) ( 0.00, 0.00, 0.04) 250: oop ( -0.011, -0.030, -0.074) ( -0.010, -0.023, -0.055) ( 0.00, 0.02, 0.14) 250: vdw ( 4.938, -9.590, 2.718) ( 4.938, -9.589, 2.718) ( 0.00, 0.00, 0.00) 250: electro ( 0.127, 0.114, -0.383) ( 0.127, 0.114, -0.383) ( 0.00, 0.00, 0.00) 250: 7 ( -0.810, 0.444, -0.283) ( -0.806, 0.452, -0.254) ( 0.32, 0.37, 0.83) 250: bond (-11.282, 11.208, 0.541) (-11.278, 11.212, 0.545) ( 0.04, 0.03, 0.24) 250: angle ( 9.286, -4.053, -3.402) ( 9.288, -4.051, -3.400) ( 0.02, 0.05, 0.04) 250: strbnd ( 0.811, -0.072, -0.853) ( 0.810, -0.073, -0.854) ( 0.06, 0.01, 0.03) 250: torsion ( -1.331, -0.869, 0.696) ( -1.331, -0.869, 0.696) ( 0.00, 0.00, 0.02) 250: oop ( 0.009, -0.020, -0.131) ( 0.007, -0.017, -0.108) ( 0.00, 0.01, 0.31) 250: vdw ( 0.881, -5.592, 2.703) ( 0.881, -5.592, 2.703) ( 0.01, 0.00, 0.00) 250: electro ( 0.815, -0.158, 0.163) ( 0.815, -0.158, 0.163) ( 0.00, 0.00, 0.00) 250: 8 ( 0.736, 0.178, 0.067) ( 0.740, 0.183, 0.072) ( 0.35, 0.09, 0.04) 250: bond ( -1.261, -2.729, -19.147) ( -1.258, -2.725, -19.143) ( 0.27, 0.13, 0.02) 250: angle ( -9.942, 7.503, 26.405) ( -9.940, 7.505, 26.407) ( 0.02, 0.03, 0.01) 250: strbnd ( 4.138, 2.113, 0.872) ( 4.137, 2.112, 0.871) ( 0.02, 0.04, 0.03) 250: torsion ( 2.267, -2.809, -7.166) ( 2.267, -2.809, -7.166) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.533, -3.900, -0.897) ( 5.533, -3.899, -0.897) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 9 ( 0.364, 0.232, -0.008) ( 0.369, 0.237, -0.002) ( 0.20, 0.11, 0.00) 250: bond ( -6.983, 11.163, 5.799) ( -6.980, 11.166, 5.803) ( 0.06, 0.03, 0.07) 250: angle ( 6.589, 0.564, -10.864) ( 6.592, 0.566, -10.862) ( 0.04, 0.12, 0.02) 250: strbnd ( -4.331, -9.696, 0.323) ( -4.332, -9.697, 0.323) ( 0.02, 0.01, 0.01) 250: torsion ( 0.192, 1.536, 1.287) ( 0.192, 1.536, 1.287) ( 0.00, 0.00, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.897, -3.334, 3.446) ( 4.897, -3.334, 3.447) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 10 ( 0.279, 0.320, 0.215) ( 0.284, 0.326, 0.221) ( 0.13, 0.18, 0.13) 250: bond ( 3.926, 16.947, -8.842) ( 3.929, 16.951, -8.838) ( 0.09, 0.02, 0.05) 250: angle ( -6.642, -8.727, 8.491) ( -6.640, -8.725, 8.493) ( 0.03, 0.02, 0.02) 250: strbnd ( -1.913, -4.925, 2.830) ( -1.914, -4.925, 2.830) ( 0.05, 0.01, 0.02) 250: torsion ( -1.013, -0.173, -1.195) ( -1.013, -0.173, -1.195) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.922, -2.802, -1.070) ( 5.922, -2.802, -1.070) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 11 ( 0.045, 0.535, 0.496) ( 0.051, 0.539, 0.502) ( 0.03, 0.24, 0.29) 250: bond (-22.008, -2.471, -8.891) (-22.004, -2.468, -8.886) ( 0.02, 0.14, 0.05) 250: angle ( 15.128, 5.024, 5.636) ( 15.130, 5.026, 5.638) ( 0.01, 0.04, 0.03) 250: strbnd ( 6.334, 1.549, 3.089) ( 6.333, 1.548, 3.089) ( 0.01, 0.06, 0.02) 250: torsion ( -1.616, 1.448, 1.166) ( -1.616, 1.448, 1.166) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.209, -5.015, -0.504) ( 2.209, -5.015, -0.504) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 12 ( 0.018, -0.028, -0.133) ( 0.022, -0.023, -0.128) ( 0.01, 0.01, 0.07) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 57 ( -0.222, -0.711, 1.702) ( -0.221, -0.708, 1.703) ( 0.02, 0.16, 0.07) 248: bond ( -1.423, -3.015, 1.849) ( -1.423, -3.013, 1.849) ( 0.03, 0.07, 0.04) 248: angle ( 1.191, -0.586, -0.038) ( 1.192, -0.586, -0.038) ( 0.04, 0.01, 0.00) 248: strbnd ( 0.927, 0.636, -0.840) ( 0.927, 0.636, -0.840) ( 0.00, 0.00, 0.00) 248: torsion ( 0.670, 0.208, 0.854) ( 0.670, 0.208, 0.854) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.587, 2.046, -0.123) ( -1.587, 2.046, -0.123) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 58 ( -1.065, -1.279, -1.213) ( -1.063, -1.277, -1.212) ( 0.14, 0.19, 0.05) 248: bond ( -0.341, 0.461, 0.108) ( -0.340, 0.463, 0.108) ( 0.04, 0.10, 0.00) 248: angle ( -2.386, -1.529, -0.965) ( -2.386, -1.529, -0.964) ( 0.01, 0.01, 0.04) 248: strbnd ( -0.455, -0.647, -0.480) ( -0.455, -0.647, -0.480) ( 0.00, 0.00, 0.00) 248: torsion ( 0.014, 0.020, -0.041) ( 0.014, 0.020, -0.041) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.104, 0.416, 0.164) ( 2.104, 0.416, 0.164) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 59 ( -1.070, -1.140, -0.343) ( -1.069, -1.138, -0.342) ( 0.10, 0.20, 0.03) 248: bond ( -1.369, -2.487, 1.248) ( -1.368, -2.484, 1.248) ( 0.05, 0.09, 0.04) 248: angle ( -1.624, 0.072, -1.636) ( -1.623, 0.072, -1.636) ( 0.03, 0.00, 0.03) 248: strbnd ( -0.372, 0.804, -0.765) ( -0.372, 0.804, -0.765) ( 0.00, 0.00, 0.00) 248: torsion ( -0.290, 0.448, 0.574) ( -0.290, 0.448, 0.574) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.584, 0.022, 0.237) ( 2.584, 0.022, 0.237) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 60 ( -0.358, -1.910, -0.423) ( -0.357, -1.909, -0.420) ( 0.02, 0.03, 0.14) 248: bond ( 0.061, -0.358, -2.470) ( 0.061, -0.358, -2.467) ( 0.00, 0.00, 0.13) 248: angle ( -2.334, -1.222, 0.119) ( -2.334, -1.222, 0.119) ( 0.02, 0.04, 0.00) 248: strbnd ( -0.879, 0.068, 0.565) ( -0.879, 0.068, 0.565) ( 0.00, 0.00, 0.00) 248: torsion ( 0.016, -0.218, 0.032) ( 0.016, -0.218, 0.032) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.778, -0.179, 1.331) ( 2.778, -0.179, 1.331) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 61 ( -1.170, -0.189, 0.037) ( -1.168, -0.188, 0.038) ( 0.25, 0.01, 0.00) 248: bond ( -0.428, -0.103, -0.175) ( -0.426, -0.103, -0.175) ( 0.12, 0.00, 0.01) 248: angle ( -0.331, -3.245, 2.709) ( -0.331, -3.244, 2.710) ( 0.00, 0.01, 0.02) 248: strbnd ( -0.890, -0.655, 0.505) ( -0.890, -0.655, 0.505) ( 0.00, 0.00, 0.00) 248: torsion ( -0.146, 0.349, 0.151) ( -0.146, 0.349, 0.152) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.626, 3.464, -3.153) ( 0.626, 3.464, -3.153) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 62 ( -1.757, 0.318, 0.260) ( -1.756, 0.322, 0.261) ( 0.03, 0.11, 0.02) 248: bond ( 0.021, 0.242, -0.008) ( 0.021, 0.246, -0.008) ( 0.00, 0.08, 0.00) 248: angle ( 2.576, -0.098, 3.676) ( 2.576, -0.098, 3.677) ( 0.02, 0.00, 0.01) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 29 ( -0.010, 0.009, 0.006) ( -0.009, 0.011, 0.007) ( 0.00, 0.00, 0.00) 251: bond ( -1.360, 1.906, -0.984) ( -1.359, 1.908, -0.983) ( 0.07, 0.10, 0.05) 251: angle ( -1.796, -0.247, 2.003) ( -1.796, -0.247, 2.004) ( 0.02, 0.01, 0.02) 251: strbnd ( 0.022, -0.940, 0.574) ( 0.022, -0.940, 0.574) ( 0.00, 0.00, 0.00) 251: torsion ( 0.230, -0.392, -1.079) ( 0.230, -0.392, -1.079) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 2.893, -0.319, -0.508) ( 2.893, -0.319, -0.508) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 30 ( -0.034, -0.020, 0.025) ( -0.032, -0.019, 0.027) ( 0.01, 0.00, 0.00) 251: bond ( -1.739, -1.521, 1.401) ( -1.737, -1.520, 1.402) ( 0.08, 0.07, 0.07) 251: angle ( -1.608, 1.824, -0.015) ( -1.608, 1.824, -0.015) ( 0.02, 0.02, 0.00) 251: strbnd ( 0.184, 0.874, -0.682) ( 0.184, 0.874, -0.682) ( 0.00, 0.00, 0.00) 251: torsion ( 0.081, -0.467, -0.406) ( 0.081, -0.467, -0.406) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 3.048, -0.731, -0.273) ( 3.048, -0.731, -0.273) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 31 ( 0.009, -0.001, 0.008) ( 0.010, 0.000, 0.009) ( 0.00, 0.00, 0.00) 251: bond ( -0.898, -0.437, -0.824) ( -0.896, -0.436, -0.823) ( 0.15, 0.02, 0.11) 251: angle ( 0.051, 0.059, -0.088) ( 0.051, 0.060, -0.088) ( 0.00, 0.00, 0.00) 251: strbnd ( -0.056, 0.008, -0.026) ( -0.056, 0.008, -0.026) ( 0.00, 0.00, 0.00) 251: torsion ( -0.032, -0.088, 0.081) ( -0.032, -0.087, 0.081) ( 0.00, 0.00, 0.00) 251: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: vdw ( 0.943, 0.456, 0.865) ( 0.943, 0.456, 0.865) ( 0.00, 0.00, 0.00) 251: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: ok 14 # gradients 251: ok 15 # energy 251: ---------------------------------------------------------------------------------------- 251: 251: VALIDATE GRADIENTS : vuwxug.xyz 251: 251: 251: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 251: ---------------------------------------------------------------------------------------- 252: 1 ( -0.184, -0.156, -0.178) ( -0.177, -0.152, -0.170) ( 0.15, 0.07, 0.14) 252: bond ( 12.215, -2.444, -2.026) ( 12.221, -2.440, -2.025) ( 0.05, 0.20, 0.04) 252: angle ( 1.031, 1.567, 0.419) ( 1.033, 1.568, 0.419) ( 0.17, 0.09, 0.01) 252: strbnd ( -0.276, 0.595, 0.200) ( -0.276, 0.595, 0.200) ( 0.00, 0.01, 0.00) 252: torsion ( 0.026, -0.060, 0.134) ( 0.026, -0.060, 0.135) ( 0.00, 0.00, 0.02) 252: oop ( -0.003, 0.011, -0.034) ( -0.003, 0.009, -0.028) ( 0.00, 0.00, 0.02) 252: vdw (-13.301, 0.238, 1.219) (-13.301, 0.238, 1.219) ( 0.00, 0.00, 0.00) 252: electro ( 0.124, -0.062, -0.090) ( 0.124, -0.062, -0.090) ( 0.00, 0.00, 0.00) 252: 2 ( 0.845, -0.251, 0.614) ( 0.850, -0.233, 0.583) ( 0.37, 0.45, 1.87) 252: bond ( 8.668, -9.202, -3.657) ( 8.674, -9.197, -3.657) ( 0.06, 0.06, 0.02) 252: angle ( 1.060, -2.236, -0.846) ( 1.061, -2.234, -0.846) ( 0.15, 0.07, 0.02) 252: strbnd ( -2.306, -0.145, 0.209) ( -2.306, -0.145, 0.209) ( 0.01, 0.00, 0.00) 252: torsion ( -0.009, -0.028, 0.128) ( -0.009, -0.028, 0.129) ( 0.00, 0.00, 0.02) 252: oop ( 0.014, -0.067, 0.198) ( 0.012, -0.056, 0.166) ( 0.00, 0.08, 0.65) 252: vdw ( -6.352, 11.522, 4.701) ( -6.352, 11.522, 4.701) ( 0.00, 0.00, 0.00) 252: electro ( -0.230, -0.094, -0.119) ( -0.230, -0.094, -0.119) ( 0.00, 0.00, 0.00) 252: 3 ( 0.073, 0.716, 1.596) ( 0.084, 0.707, 1.644) ( 0.08, 0.65, 3.02) 252: bond ( -6.462, -14.039, -4.598) ( -6.457, -14.034, -4.597) ( 0.08, 0.04, 0.02) 252: angle ( 4.729, 7.796, 2.474) ( 4.731, 7.798, 2.474) ( 0.04, 0.02, 0.01) 252: strbnd ( 3.737, -3.706, -1.522) ( 3.737, -3.707, -1.522) ( 0.00, 0.00, 0.00) 252: torsion ( 0.300, -2.114, 5.663) ( 0.300, -2.114, 5.664) ( 0.00, 0.01, 0.02) 252: oop ( -0.022, 0.095, -0.277) ( -0.019, 0.079, -0.231) ( 0.01, 0.15, 1.28) 252: vdw ( -2.173, 13.069, 0.311) ( -2.172, 13.069, 0.311) ( 0.01, 0.00, 0.00) 252: electro ( -0.037, -0.384, -0.455) ( -0.037, -0.384, -0.455) ( 0.00, 0.00, 0.00) 252: 4 ( -1.358, -0.473, -0.649) ( -1.353, -0.260, -0.780) ( 0.39, 10.03, 8.48) 252: bond ( -4.734, 2.347, 1.095) ( -4.729, 2.352, 1.096) ( 0.11, 0.20, 0.07) 252: angle (-10.062, -2.611, 4.140) (-10.060, -2.609, 4.140) ( 0.02, 0.07, 0.01) 252: strbnd ( 3.811, 0.602, 0.274) ( 3.811, 0.601, 0.274) ( 0.00, 0.01, 0.00) 252: torsion ( -0.109, 2.386, -1.969) ( -0.109, 2.387, -1.968) ( 0.00, 0.01, 0.06) 252: oop ( 0.013, -1.116, 0.755) ( 0.011, -0.910, 0.622) ( 0.00, 18.44, 10.07) 252: vdw ( 9.138, -2.304, -5.262) ( 9.139, -2.304, -5.262) ( 0.00, 0.00, 0.00) 252: electro ( 0.584, 0.223, 0.317) ( 0.584, 0.223, 0.317) ( 0.00, 0.00, 0.00) 252: 5 ( -0.945, -0.437, -0.547) ( -0.950, -0.380, -0.686) ( 0.41, 2.50, 7.61) 252: bond ( -9.877, 12.321, 6.024) ( -9.872, 12.326, 6.025) ( 0.05, 0.04, 0.01) 252: angle ( 0.777, -3.545, -1.191) ( 0.779, -3.544, -1.191) ( 0.13, 0.04, 0.02) 252: strbnd ( 3.218, 2.140, 0.609) ( 3.218, 2.140, 0.609) ( 0.01, 0.01, 0.00) 252: torsion ( 0.010, 0.739, -2.169) ( 0.010, 0.739, -2.168) ( 0.00, 0.01, 0.06) 252: oop ( 0.069, -0.304, 0.854) ( 0.058, -0.253, 0.713) ( 0.08, 1.53, 12.07) 252: vdw ( 4.433, -11.904, -4.594) ( 4.433, -11.904, -4.594) ( 0.00, 0.00, 0.00) 252: electro ( 0.425, 0.115, -0.080) ( 0.425, 0.115, -0.080) ( 0.00, 0.00, 0.00) 252: 6 ( 0.533, 0.106, -0.757) ( 0.541, 0.107, -0.740) ( 0.44, 0.00, 1.34) 252: bond ( 10.935, 11.123, 2.675) ( 10.940, 11.128, 2.676) ( 0.05, 0.04, 0.03) 252: angle ( -1.841, 0.246, 0.285) ( -1.839, 0.247, 0.285) ( 0.09, 0.04, 0.01) 252: strbnd ( -0.658, 0.437, 0.063) ( -0.658, 0.437, 0.063) ( 0.01, 0.01, 0.00) 250: bond (-12.958, 14.537, 15.529) (-12.956, 14.540, 15.533) ( 0.02, 0.02, 0.03) 250: angle ( 5.486, -21.711, -16.528) ( 5.488, -21.709, -16.526) ( 0.04, 0.01, 0.01) 250: strbnd ( 4.156, 8.341, -1.058) ( 4.155, 8.340, -1.059) ( 0.02, 0.01, 0.04) 250: torsion ( 0.521, -0.105, -0.116) ( 0.521, -0.105, -0.116) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.814, -1.090, 2.040) ( 2.814, -1.090, 2.040) ( 0.00, 0.01, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 ( -0.345, -0.098, -0.425) ( -0.340, -0.093, -0.420) ( 0.16, 0.05, 0.21) 250: bond ( 19.196, -25.927, -5.472) ( 19.199, -25.923, -5.468) ( 0.02, 0.01, 0.07) 250: angle (-20.973, 31.110, 6.384) (-20.971, 31.112, 6.386) ( 0.01, 0.01, 0.03) 250: strbnd ( -1.801, -4.659, 1.967) ( -1.802, -4.660, 1.966) ( 0.04, 0.02, 0.03) 250: torsion ( 2.190, -1.303, -1.287) ( 2.190, -1.303, -1.287) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.043, 0.681, -2.017) ( 1.043, 0.681, -2.017) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 14 ( -0.307, -0.668, -1.189) ( -0.302, -0.663, -1.183) ( 0.14, 0.32, 0.49) 250: bond (-22.467, 22.959, -11.970) (-22.463, 22.963, -11.965) ( 0.01, 0.02, 0.04) 250: angle ( 20.677, -26.111, 8.252) ( 20.679, -26.109, 8.254) ( 0.01, 0.01, 0.02) 250: strbnd ( 1.372, -1.663, -0.432) ( 1.371, -1.664, -0.432) ( 0.07, 0.05, 0.02) 250: torsion ( -0.738, 1.381, 1.027) ( -0.738, 1.381, 1.027) ( 0.00, 0.00, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.849, 2.766, 1.934) ( 0.849, 2.766, 1.934) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 15 ( -0.779, -0.703, -0.742) ( -0.774, -0.698, -0.735) ( 0.36, 0.34, 0.45) 250: bond ( 11.046, -27.491, 7.813) ( 11.049, -27.488, 7.817) ( 0.03, 0.01, 0.06) 250: angle (-13.695, 29.364, -9.854) (-13.693, 29.366, -9.852) ( 0.01, 0.01, 0.02) 250: strbnd ( -1.160, 1.909, -1.027) ( -1.161, 1.909, -1.027) ( 0.08, 0.04, 0.03) 250: torsion ( 0.502, -0.879, -1.143) ( 0.502, -0.879, -1.143) ( 0.00, 0.00, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.527, -3.606, 3.470) ( 2.528, -3.606, 3.470) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 16 ( -1.065, -0.614, 1.036) ( -1.061, -0.609, 1.042) ( 0.45, 0.30, 0.57) 250: bond ( -9.763, 20.766, -9.836) ( -9.759, 20.769, -9.832) ( 0.04, 0.02, 0.05) 250: angle ( 9.857, -21.778, 9.882) ( 9.859, -21.776, 9.884) ( 0.02, 0.01, 0.02) 250: strbnd ( 0.357, 0.332, 0.998) ( 0.356, 0.331, 0.998) ( 0.03, 0.03, 0.03) 250: torsion ( -0.978, 0.700, 0.353) ( -0.978, 0.700, 0.353) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.539, -0.634, -0.360) ( -0.539, -0.634, -0.360) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 17 ( -1.087, -1.069, 0.177) ( -1.083, -1.064, 0.183) ( 0.43, 0.46, 0.10) 250: bond ( -1.901, -13.454, 13.464) ( -1.897, -13.450, 13.468) ( 0.18, 0.03, 0.03) 250: angle ( 1.193, 9.826, -16.679) ( 1.195, 9.828, -16.677) ( 0.18, 0.02, 0.01) 250: strbnd ( -3.337, 0.795, 1.409) ( -3.338, 0.794, 1.408) ( 0.03, 0.08, 0.02) 250: torsion ( 0.974, 1.005, 1.909) ( 0.974, 1.005, 1.909) ( 0.00, 0.01, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.261, 0.641, 0.904) ( 0.261, 0.642, 0.904) ( 0.00, 0.00, 0.00) 248: torsion ( 1.156, -0.106, -0.183) ( 1.156, -0.106, -0.183) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.770, -0.362, -4.129) ( -5.770, -0.362, -4.129) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 63 ( -1.163, 0.855, -0.571) ( -1.161, 0.856, -0.570) ( 0.16, 0.08, 0.09) 248: bond ( -1.786, 1.024, 1.583) ( -1.785, 1.024, 1.584) ( 0.09, 0.05, 0.08) 248: angle ( 0.428, -0.094, 0.542) ( 0.428, -0.094, 0.543) ( 0.01, 0.00, 0.02) 248: strbnd ( 0.673, -0.673, 0.446) ( 0.673, -0.673, 0.446) ( 0.00, 0.00, 0.00) 248: torsion ( -0.227, -0.276, -0.077) ( -0.227, -0.276, -0.077) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.250, 0.874, -3.065) ( -0.250, 0.874, -3.065) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 64 ( 0.790, -0.989, 0.790) ( 0.793, -0.989, 0.791) ( 0.25, 0.06, 0.06) 248: bond ( 0.666, 0.107, -0.162) ( 0.670, 0.108, -0.162) ( 0.21, 0.00, 0.00) 248: angle ( -0.821, -2.989, -5.388) ( -0.821, -2.989, -5.387) ( 0.00, 0.02, 0.01) 248: strbnd ( -1.303, -0.763, -0.758) ( -1.303, -0.763, -0.758) ( 0.00, 0.00, 0.00) 248: torsion ( 0.159, -0.563, 0.283) ( 0.159, -0.563, 0.283) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.089, 3.218, 6.815) ( 2.089, 3.218, 6.815) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 65 ( 1.612, 1.583, -0.244) ( 1.613, 1.584, -0.242) ( 0.09, 0.07, 0.05) 248: bond ( -0.305, 0.226, -0.426) ( -0.304, 0.227, -0.424) ( 0.03, 0.01, 0.08) 248: angle ( 3.626, -2.262, -3.808) ( 3.626, -2.262, -3.808) ( 0.01, 0.02, 0.01) 248: strbnd ( 0.994, -1.017, -0.192) ( 0.994, -1.017, -0.192) ( 0.00, 0.00, 0.00) 248: torsion ( 0.256, 0.264, -0.043) ( 0.256, 0.264, -0.043) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.959, 4.372, 4.225) ( -2.958, 4.372, 4.225) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 66 ( -1.078, 0.552, -0.760) ( -1.078, 0.556, -0.759) ( 0.06, 0.19, 0.05) 248: bond ( 0.016, 0.113, 0.003) ( 0.016, 0.116, 0.003) ( 0.00, 0.04, 0.00) 248: angle ( 2.563, -0.264, -3.412) ( 2.563, -0.264, -3.411) ( 0.02, 0.00, 0.02) 248: strbnd ( 0.510, 0.950, -1.109) ( 0.510, 0.950, -1.109) ( 0.00, 0.00, 0.00) 248: torsion ( -0.450, 0.067, -0.151) ( -0.450, 0.067, -0.151) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.718, -0.314, 3.909) ( -3.717, -0.314, 3.909) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 67 ( 0.335, 0.250, 0.082) ( 0.336, 0.253, 0.082) ( 0.02, 0.08, 0.00) 248: bond ( 0.214, -2.095, 0.090) ( 0.214, -2.092, 0.090) ( 0.00, 0.16, 0.00) 248: angle ( 1.574, 0.246, 1.978) ( 1.575, 0.246, 1.979) ( 0.04, 0.00, 0.03) 248: strbnd ( -0.777, 1.004, 0.844) ( -0.777, 1.004, 0.844) ( 0.00, 0.00, 0.00) 248: torsion ( 0.181, -0.026, -1.050) ( 0.181, -0.026, -1.050) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.857, 1.121, -1.781) ( -0.857, 1.121, -1.781) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 251: 1 ( 3.869, 2.130, -0.620) ( 3.613, 1.990, -0.587) ( 6.61, 6.59, 2.03) 251: bond ( 4.935, -9.109, -1.104) ( 4.935, -9.107, -1.104) ( 0.02, 0.03, 0.01) 251: angle ( -2.548, -2.956, 12.992) ( -2.548, -2.956, 12.993) ( 0.00, 0.00, 0.01) 251: strbnd ( 3.655, -7.443, 0.124) ( 3.655, -7.443, 0.124) ( 0.00, 0.00, 0.00) 251: torsion ( 4.665, 2.461, 0.552) ( 4.665, 2.461, 0.552) ( 0.00, 0.00, 0.00) 251: oop ( 1.651, 0.927, -0.264) ( 1.394, 0.784, -0.232) (15.54, 13.24, 0.84) 251: vdw ( -2.138, 3.876, -4.785) ( -2.138, 3.876, -4.785) ( 0.00, 0.00, 0.00) 251: electro ( -6.351, 14.374, -8.135) ( -6.351, 14.374, -8.135) ( 0.00, 0.00, 0.00) 251: 2 ( 4.195, 1.244, -0.194) ( 3.655, 1.086, -0.159) (12.86, 12.64, 0.68) 251: bond ( 6.117, -25.834, -17.177) ( 6.117, -25.831, -17.166) ( 0.01, 0.01, 0.06) 251: angle ( -9.069, 20.562, 11.811) ( -9.068, 20.564, 11.813) ( 0.00, 0.01, 0.02) 251: strbnd ( -0.570, 2.942, 11.231) ( -0.570, 2.942, 11.229) ( 0.00, 0.01, 0.02) 251: torsion ( 5.123, 1.707, -0.094) ( 5.124, 1.707, -0.094) ( 0.01, 0.00, 0.00) 251: oop ( 3.384, 0.966, -0.184) ( 2.844, 0.804, -0.160) (15.97, 15.69, 0.44) 251: vdw ( -0.760, 1.774, -1.397) ( -0.760, 1.774, -1.397) ( 0.00, 0.00, 0.00) 251: electro ( -0.031, -0.874, -4.384) ( -0.031, -0.874, -4.384) ( 0.00, 0.00, 0.00) 251: 3 (-13.485, -5.099, 2.472) (-12.579, -4.741, 2.343) ( 6.72, 7.01, 5.25) 251: bond ( -0.092, -4.505, 20.203) ( -0.091, -4.501, 20.209) ( 0.01, 0.11, 0.03) 251: angle ( 15.243, -23.754, -22.274) ( 15.243, -23.753, -22.272) ( 0.00, 0.01, 0.01) 251: strbnd ( -1.022, 1.368, 2.985) ( -1.022, 1.367, 2.985) ( 0.02, 0.04, 0.02) 251: torsion (-13.583, -4.422, 0.322) (-13.582, -4.422, 0.322) ( 0.00, 0.00, 0.00) 251: oop ( -6.172, -2.314, 1.085) ( -5.268, -1.962, 0.948) (14.65, 15.20, 12.64) 251: vdw ( -1.549, 6.037, 1.007) ( -1.549, 6.037, 1.007) ( 0.00, 0.00, 0.00) 251: electro ( -6.310, 22.492, -0.857) ( -6.310, 22.492, -0.857) ( 0.00, 0.00, 0.00) 251: 4 ( 0.015, 0.009, -0.021) ( 0.130, 0.041, -0.020) ( 0.18, 0.03, 0.00) 251: bond ( 0.074, -3.835, -13.494) ( 0.074, -3.834, -13.485) ( 0.00, 0.02, 0.06) 251: angle ( 0.976, -3.230, 0.924) ( 0.976, -3.229, 0.924) ( 0.00, 0.02, 0.01) 251: strbnd ( -0.552, 0.029, -7.860) ( -0.552, 0.029, -7.860) ( 0.00, 0.00, 0.00) 251: torsion ( -1.551, -0.406, 0.107) ( -1.551, -0.406, 0.107) ( 0.01, 0.00, 0.00) 251: oop ( -0.503, -0.135, 0.036) ( -0.388, -0.104, 0.028) ( 5.79, 0.41, 0.03) 251: vdw ( 0.515, 2.328, 5.755) ( 0.515, 2.328, 5.755) ( 0.00, 0.01, 0.00) 251: electro ( 1.057, 5.257, 14.512) ( 1.057, 5.257, 14.512) ( 0.00, 0.00, 0.00) 251: 5 ( 5.402, 1.718, -1.674) ( 5.102, 1.621, -1.576) ( 5.55, 5.65, 5.91) 251: bond ( 0.018, 0.073, 0.129) ( 0.018, 0.074, 0.133) ( 0.00, 0.01, 0.05) 251: angle ( -4.844, 9.643, -4.711) ( -4.844, 9.644, -4.711) ( 0.00, 0.01, 0.00) 251: strbnd ( -0.264, 0.055, 0.251) ( -0.264, 0.055, 0.251) ( 0.00, 0.00, 0.00) 251: torsion ( 4.479, 0.424, -0.834) ( 4.479, 0.424, -0.834) ( 0.00, 0.00, 0.00) 251: oop ( 2.303, 0.738, -0.718) ( 2.003, 0.639, -0.623) (13.05, 7.29, 6.82) 251: vdw ( -0.672, 1.547, -1.346) ( -0.672, 1.547, -1.346) ( 0.00, 0.00, 0.00) 251: electro ( 4.382, -10.762, 5.553) ( 4.382, -10.762, 5.553) ( 0.00, 0.00, 0.00) 251: 6 ( -4.199, -1.254, 0.172) ( -3.655, -1.086, 0.159) (12.96, 13.38, 0.22) 251: bond ( -6.118, 25.827, 17.156) ( -6.117, 25.831, 17.166) ( 0.01, 0.01, 0.06) 251: angle ( 9.068, -20.566, -11.815) ( 9.068, -20.564, -11.813) ( 0.00, 0.01, 0.02) 251: strbnd ( 0.570, -2.941, -11.227) ( 0.570, -2.942, -11.229) ( 0.00, 0.01, 0.02) 252: torsion ( -0.004, 0.151, -0.129) ( -0.004, 0.151, -0.128) ( 0.00, 0.00, 0.02) 252: oop ( -0.010, 0.040, -0.102) ( -0.008, 0.034, -0.087) ( 0.00, 0.03, 0.16) 252: vdw ( -7.809, -11.860, -3.494) ( -7.809, -11.860, -3.494) ( 0.00, 0.00, 0.00) 252: electro ( -0.081, -0.031, -0.054) ( -0.081, -0.031, -0.054) ( 0.00, 0.00, 0.00) 252: 7 ( 4.182, -0.110, -2.955) ( 4.161, -0.952, -2.296) ( 0.49, 9.24, 22.30) 252: bond ( -8.014, 7.203, 10.301) ( -8.008, 7.206, 10.304) ( 0.07, 0.04, 0.04) 252: angle ( 23.571, -6.002, -12.520) ( 23.573, -6.000, -12.519) ( 0.01, 0.02, 0.01) 252: strbnd ( -5.963, 1.001, 0.741) ( -5.964, 1.001, 0.741) ( 0.01, 0.02, 0.02) 252: torsion ( -2.504, -12.743, 5.344) ( -2.504, -12.742, 5.344) ( 0.00, 0.00, 0.01) 252: oop ( 0.288, 5.178, -4.155) ( 0.261, 4.331, -3.501) ( 0.80, 16.35, 15.74) 252: vdw ( -1.708, 5.497, -2.750) ( -1.708, 5.497, -2.750) ( 0.01, 0.00, 0.00) 252: electro ( -1.488, -0.244, 0.085) ( -1.488, -0.244, 0.085) ( 0.00, 0.00, 0.00) 252: 8 ( -1.923, 7.274, 9.287) ( -1.901, 8.167, 8.906) ( 1.12, 12.27, 4.10) 252: bond ( 7.906, 3.155, 6.283) ( 7.911, 3.158, 6.291) ( 0.07, 0.08, 0.13) 252: angle (-11.927, 11.968, 23.696) (-11.925, 11.969, 23.697) ( 0.02, 0.01, 0.01) 252: strbnd ( -0.172, -3.227, -7.634) ( -0.173, -3.227, -7.635) ( 0.02, 0.01, 0.01) 252: torsion ( -1.724, 6.797, -17.832) ( -1.724, 6.797, -17.832) ( 0.00, 0.01, 0.00) 252: oop ( -0.107, -5.155, 2.589) ( -0.093, -4.267, 2.199) ( 0.16, 17.23, 15.06) 252: vdw ( 4.239, -5.387, 2.000) ( 4.239, -5.387, 2.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.137, -0.875, 0.186) ( -0.137, -0.875, 0.186) ( 0.00, 0.00, 0.00) 252: 9 ( 6.140, -3.439, -4.350) ( 6.157, -3.721, -4.188) ( 0.27, 8.20, 3.73) 252: bond ( 6.677, -9.432, -17.814) ( 6.678, -9.430, -17.808) ( 0.01, 0.02, 0.03) 252: angle ( -3.223, -0.345, -1.026) ( -3.222, -0.345, -1.026) ( 0.03, 0.00, 0.01) 252: strbnd ( -3.032, 4.056, 7.810) ( -3.032, 4.056, 7.810) ( 0.01, 0.00, 0.00) 252: torsion ( -0.306, 6.009, -3.297) ( -0.306, 6.009, -3.297) ( 0.00, 0.00, 0.00) 252: oop ( -0.071, 1.455, -0.797) ( -0.056, 1.171, -0.641) ( 0.11, 19.52, 12.44) 252: vdw ( 7.280, -5.048, 11.866) ( 7.280, -5.048, 11.866) ( 0.00, 0.00, 0.00) 252: electro ( -1.185, -0.133, -1.092) ( -1.185, -0.133, -1.092) ( 0.00, 0.00, 0.00) 252: 10 ( 1.503, -0.193, 0.092) ( 1.469, -0.420, -0.248) ( 2.28, 4.37, 3.13) 252: bond ( 9.695, 23.920, -3.884) ( 9.701, 23.924, -3.884) ( 0.06, 0.02, 0.01) 252: angle (-15.143, -13.685, -10.389) (-15.141, -13.683, -10.388) ( 0.01, 0.01, 0.01) 252: strbnd ( 1.542, -11.914, 0.169) ( 1.542, -11.915, 0.169) ( 0.03, 0.01, 0.00) 252: torsion ( 1.960, -0.605, 10.880) ( 1.960, -0.605, 10.881) ( 0.00, 0.01, 0.01) 252: oop ( 0.202, 1.528, 1.715) ( 0.161, 1.295, 1.373) ( 0.83, 15.24, 19.96) 252: vdw ( 3.415, 0.682, 1.760) ( 3.415, 0.682, 1.760) ( 0.00, 0.01, 0.00) 252: electro ( -0.168, -0.118, -0.159) ( -0.168, -0.118, -0.159) ( 0.00, 0.00, 0.00) 252: 11 ( -3.382, 0.002, 1.664) ( -3.375, 0.163, 2.211) ( 0.21, 0.04, 32.88) 252: bond (-13.094, -5.115, -0.788) (-13.089, -5.111, -0.787) ( 0.04, 0.09, 0.05) 252: angle ( -2.503, 4.242, 11.159) ( -2.501, 4.244, 11.160) ( 0.09, 0.05, 0.00) 252: strbnd ( 10.155, 7.918, -0.812) ( 10.154, 7.917, -0.812) ( 0.01, 0.01, 0.01) 252: torsion ( 1.046, -1.903, -2.449) ( 1.046, -1.903, -2.448) ( 0.00, 0.00, 0.02) 252: oop ( -0.039, -0.779, -2.945) ( -0.038, -0.624, -2.400) ( 0.00, 12.08, 18.52) 252: vdw ( -0.018, -4.278, -1.767) ( -0.018, -4.278, -1.767) ( 0.00, 0.00, 0.00) 252: electro ( 1.070, -0.081, -0.735) ( 1.070, -0.081, -0.735) ( 0.00, 0.00, 0.00) 252: 12 ( -0.151, -0.223, -0.298) ( -0.144, -0.255, -0.423) ( 0.09, 0.71, 3.72) 250: vdw ( 1.983, 0.759, 0.074) ( 1.983, 0.759, 0.074) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 18 ( -0.972, -1.131, 0.537) ( -0.966, -1.126, 0.543) ( 0.57, 0.45, 0.31) 250: bond ( 8.970, -7.168, -3.472) ( 8.974, -7.164, -3.467) ( 0.05, 0.06, 0.13) 250: angle ( -7.660, 2.779, 4.648) ( -7.658, 2.781, 4.650) ( 0.02, 0.07, 0.04) 250: strbnd ( -0.534, -1.586, 1.106) ( -0.535, -1.587, 1.106) ( 0.03, 0.05, 0.04) 250: torsion ( -0.534, -0.161, -0.695) ( -0.534, -0.161, -0.695) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.214, 5.005, -1.050) ( -1.214, 5.005, -1.050) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 19 ( -0.892, -1.390, -0.413) ( -0.887, -1.384, -0.407) ( 0.44, 0.43, 0.23) 250: bond (-14.431, 0.239, -5.354) (-14.427, 0.243, -5.350) ( 0.03, 0.11, 0.08) 250: angle ( 5.190, -0.465, 6.381) ( 5.192, -0.463, 6.382) ( 0.04, 0.09, 0.03) 250: strbnd ( 2.347, -0.745, 1.442) ( 2.346, -0.746, 1.441) ( 0.04, 0.03, 0.03) 250: torsion ( 0.871, -0.786, -1.907) ( 0.871, -0.786, -1.907) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.131, 0.367, -0.974) ( 5.131, 0.367, -0.974) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( -1.255, 0.127, -0.110) ( -1.249, 0.133, -0.106) ( 0.48, 0.08, 0.05) 250: bond ( 4.252, -7.565, 15.329) ( 4.256, -7.560, 15.333) ( 0.11, 0.06, 0.03) 250: angle ( 1.408, 3.130, -7.552) ( 1.409, 3.132, -7.550) ( 0.13, 0.06, 0.03) 250: strbnd ( 0.392, 0.525, -4.232) ( 0.392, 0.524, -4.233) ( 0.02, 0.03, 0.02) 250: torsion ( -2.747, 1.008, 0.725) ( -2.747, 1.008, 0.725) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.560, 3.029, -4.380) ( -4.560, 3.029, -4.380) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 21 ( 0.264, 0.125, -0.017) ( 0.269, 0.129, -0.012) ( 0.13, 0.06, 0.01) 250: bond ( 20.008, -3.510, -2.218) ( 20.012, -3.507, -2.215) ( 0.02, 0.09, 0.15) 250: angle (-15.231, -7.030, 0.649) (-15.229, -7.028, 0.651) ( 0.01, 0.03, 0.15) 250: strbnd ( -8.351, 11.149, 4.002) ( -8.352, 11.148, 4.001) ( 0.01, 0.01, 0.02) 250: torsion ( 1.984, -2.010, -1.712) ( 1.984, -2.010, -1.712) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.854, 1.526, -0.737) ( 1.854, 1.526, -0.737) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 ( 0.427, 0.342, -0.042) ( 0.433, 0.348, -0.037) ( 0.25, 0.20, 0.02) 250: bond ( 4.959, -8.811, -19.046) ( 4.964, -8.806, -19.042) ( 0.09, 0.05, 0.02) 250: angle ( -3.781, 3.630, 13.839) ( -3.779, 3.632, 13.841) ( 0.05, 0.05, 0.01) 250: strbnd ( 1.990, -1.284, -2.382) ( 1.989, -1.285, -2.383) ( 0.02, 0.04, 0.04) 250: torsion ( -0.424, -0.578, 0.131) ( -0.424, -0.578, 0.131) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.317, 7.386, 7.417) ( -2.317, 7.386, 7.417) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( 0.262, 0.237, 0.013) ( 0.267, 0.243, 0.019) ( 0.12, 0.14, 0.01) 250: bond ( -9.101, -14.027, 14.486) ( -9.097, -14.023, 14.490) ( 0.04, 0.03, 0.03) 248: 68 ( 0.121, 0.190, 0.044) ( 0.122, 0.191, 0.047) ( 0.01, 0.02, 0.01) 248: bond ( -0.946, 0.945, 2.916) ( -0.946, 0.945, 2.919) ( 0.03, 0.03, 0.09) 248: angle ( 2.086, -0.263, 0.761) ( 2.086, -0.263, 0.761) ( 0.03, 0.01, 0.01) 248: strbnd ( 0.013, -1.433, -0.930) ( 0.013, -1.433, -0.930) ( 0.00, 0.00, 0.00) 248: torsion ( 0.192, -1.114, 0.423) ( 0.192, -1.114, 0.423) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.224, 2.055, -3.126) ( -1.224, 2.055, -3.126) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 69 ( 0.670, 0.306, 0.584) ( 0.671, 0.308, 0.587) ( 0.08, 0.04, 0.14) 248: bond ( -0.089, 0.102, 0.156) ( -0.088, 0.103, 0.158) ( 0.01, 0.01, 0.03) 248: angle ( 0.439, -2.980, 2.180) ( 0.440, -2.979, 2.180) ( 0.02, 0.02, 0.01) 248: strbnd ( 0.329, 0.312, 1.723) ( 0.329, 0.312, 1.723) ( 0.00, 0.00, 0.00) 248: torsion ( 0.972, -0.601, 0.932) ( 0.972, -0.601, 0.933) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.982, 3.473, -4.407) ( -0.982, 3.473, -4.407) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 70 ( 0.106, 0.582, 0.566) ( 0.107, 0.583, 0.568) ( 0.02, 0.04, 0.13) 248: bond ( 1.818, -0.560, 2.482) ( 1.819, -0.560, 2.484) ( 0.06, 0.01, 0.08) 248: angle ( -0.401, -1.568, -0.060) ( -0.400, -1.567, -0.060) ( 0.01, 0.04, 0.00) 248: strbnd ( -0.251, -0.339, -2.165) ( -0.251, -0.339, -2.165) ( 0.00, 0.00, 0.00) 248: torsion ( -1.175, 0.745, 1.028) ( -1.175, 0.745, 1.028) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.115, 2.304, -0.719) ( 0.115, 2.304, -0.719) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 71 ( 0.738, 0.197, 0.250) ( 0.741, 0.198, 0.251) ( 0.20, 0.02, 0.02) 248: bond ( 1.848, 0.749, -0.682) ( 1.850, 0.749, -0.682) ( 0.14, 0.03, 0.02) 248: angle ( -0.676, -2.968, -5.094) ( -0.676, -2.967, -5.094) ( 0.01, 0.02, 0.01) 248: strbnd ( -1.187, -1.166, -0.503) ( -1.187, -1.166, -0.503) ( 0.00, 0.00, 0.00) 248: torsion ( 0.213, -0.324, 0.223) ( 0.213, -0.324, 0.223) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.541, 3.906, 6.307) ( 0.541, 3.906, 6.307) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 72 ( 0.699, 1.329, -0.078) ( 0.701, 1.330, -0.076) ( 0.13, 0.05, 0.02) 248: bond ( -0.821, 0.235, -0.916) ( -0.820, 0.235, -0.914) ( 0.12, 0.00, 0.17) 248: angle ( 3.757, -0.301, -3.447) ( 3.757, -0.301, -3.447) ( 0.01, 0.01, 0.01) 248: strbnd ( 1.187, -0.802, -0.115) ( 1.187, -0.802, -0.115) ( 0.00, 0.00, 0.00) 248: torsion ( -0.090, -0.149, 0.042) ( -0.090, -0.149, 0.042) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.334, 2.346, 4.357) ( -3.333, 2.346, 4.357) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 73 ( -0.259, 0.501, -0.385) ( -0.258, 0.505, -0.385) ( 0.01, 0.17, 0.02) 248: bond ( -0.024, 0.218, -0.017) ( -0.024, 0.221, -0.017) ( 0.00, 0.07, 0.00) 248: angle ( 2.747, 0.023, -3.607) ( 2.748, 0.023, -3.606) ( 0.02, 0.00, 0.02) 248: strbnd ( 0.214, 0.580, -1.173) ( 0.214, 0.580, -1.173) ( 0.00, 0.00, 0.00) 248: torsion ( -0.122, -0.015, -0.032) ( -0.122, -0.015, -0.032) ( 0.00, 0.00, 0.00) 251: torsion ( -5.124, -1.707, 0.094) ( -5.124, -1.707, 0.094) ( 0.01, 0.00, 0.00) 251: oop ( -3.387, -0.966, 0.184) ( -2.844, -0.804, 0.160) (16.04, 15.71, 0.44) 251: vdw ( 0.760, -1.774, 1.397) ( 0.760, -1.774, 1.397) ( 0.00, 0.00, 0.00) 251: electro ( 0.031, 0.874, 4.384) ( 0.031, 0.874, 4.384) ( 0.00, 0.00, 0.00) 251: 7 ( 13.481, 5.087, -2.487) ( 12.579, 4.741, -2.343) ( 6.69, 6.79, 5.82) 251: bond ( 0.090, 4.496, -20.215) ( 0.091, 4.501, -20.209) ( 0.01, 0.11, 0.03) 251: angle (-15.244, 23.751, 22.270) (-15.243, 23.753, 22.272) ( 0.00, 0.01, 0.01) 251: strbnd ( 1.022, -1.367, -2.985) ( 1.022, -1.367, -2.985) ( 0.02, 0.04, 0.02) 251: torsion ( 13.582, 4.422, -0.322) ( 13.582, 4.422, -0.322) ( 0.00, 0.00, 0.00) 251: oop ( 6.172, 2.314, -1.085) ( 5.268, 1.962, -0.948) (14.64, 15.20, 12.65) 251: vdw ( 1.549, -6.037, -1.007) ( 1.549, -6.037, -1.007) ( 0.00, 0.00, 0.00) 251: electro ( 6.310, -22.492, 0.857) ( 6.310, -22.492, 0.857) ( 0.00, 0.00, 0.00) 251: 8 ( -0.016, -0.012, 0.004) ( -0.130, -0.041, 0.020) ( 0.18, 0.04, 0.01) 251: bond ( -0.074, 3.834, 13.477) ( -0.074, 3.834, 13.485) ( 0.00, 0.02, 0.06) 251: angle ( -0.976, 3.229, -0.924) ( -0.976, 3.229, -0.924) ( 0.00, 0.02, 0.01) 251: strbnd ( 0.552, -0.030, 7.860) ( 0.552, -0.029, 7.860) ( 0.00, 0.00, 0.00) 251: torsion ( 1.551, 0.406, -0.107) ( 1.551, 0.406, -0.107) ( 0.01, 0.00, 0.00) 251: oop ( 0.503, 0.135, -0.036) ( 0.388, 0.104, -0.028) ( 5.76, 0.41, 0.03) 251: vdw ( -0.515, -2.328, -5.755) ( -0.515, -2.328, -5.755) ( 0.00, 0.01, 0.00) 251: electro ( -1.057, -5.257, -14.512) ( -1.057, -5.257, -14.512) ( 0.00, 0.00, 0.00) 251: 9 ( -3.870, -2.135, 0.618) ( -3.613, -1.990, 0.587) ( 6.65, 6.81, 1.92) 251: bond ( -4.936, 9.104, 1.104) ( -4.935, 9.107, 1.104) ( 0.02, 0.03, 0.01) 251: angle ( 2.548, 2.956, -12.993) ( 2.548, 2.956, -12.993) ( 0.00, 0.00, 0.01) 251: strbnd ( -3.655, 7.442, -0.124) ( -3.655, 7.443, -0.124) ( 0.00, 0.00, 0.00) 251: torsion ( -4.666, -2.462, -0.552) ( -4.665, -2.461, -0.552) ( 0.00, 0.00, 0.00) 251: oop ( -1.651, -0.927, 0.264) ( -1.394, -0.784, 0.232) (15.54, 13.24, 0.84) 251: vdw ( 2.138, -3.876, 4.785) ( 2.138, -3.876, 4.785) ( 0.00, 0.00, 0.00) 251: electro ( 6.351, -14.374, 8.135) ( 6.351, -14.374, 8.135) ( 0.00, 0.00, 0.00) 251: 10 ( -5.402, -1.721, 1.667) ( -5.102, -1.621, 1.576) ( 5.57, 5.84, 5.47) 251: bond ( -0.018, -0.075, -0.136) ( -0.018, -0.074, -0.133) ( 0.00, 0.01, 0.05) 251: angle ( 4.844, -9.644, 4.710) ( 4.844, -9.644, 4.711) ( 0.00, 0.01, 0.00) 251: strbnd ( 0.264, -0.055, -0.251) ( 0.264, -0.055, -0.251) ( 0.00, 0.00, 0.00) 251: torsion ( -4.480, -0.424, 0.834) ( -4.479, -0.424, 0.834) ( 0.00, 0.00, 0.00) 251: oop ( -2.303, -0.738, 0.718) ( -2.003, -0.639, 0.623) (13.05, 7.29, 6.82) 251: vdw ( 0.672, -1.547, 1.346) ( 0.672, -1.547, 1.346) ( 0.00, 0.00, 0.00) 251: electro ( -4.382, 10.762, -5.553) ( -4.382, 10.762, -5.553) ( 0.00, 0.00, 0.00) 251: ok 16 # gradients 247/333 Test #251: origtest_ffmmff94_4 ................................................................................. Passed 461.11 sec test 253 Start 253: origtest_ffmmff94_6 253: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffmmff94" "6" 253: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 253: Environment variables: 253: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 253: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 253: Test timeout computed to be: 1500 253: # Testing MMFF94 Force Field... 253: ============================== 253: *** Open Babel Error in SafeOpen 253: Unable to open file '/build/reproducible-path/openbabel-3.2.0+dfsg/test/files/more-mmff94e4sresults.txt' in read mode 253: Bail out! Cannot read file /build/reproducible-path/openbabel-3.2.0+dfsg/test/files/more-mmff94e4sresults.txt 248/333 Test #253: origtest_ffmmff94_6 ................................................................................. Passed 0.03 sec test 254 Start 254: origtest_ffuff_1 254: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ffuff" "1" 254: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 254: Environment variables: 254: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 254: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 254: Test timeout computed to be: 1500 254: # Testing UFF Force Field... 254: ok 1 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (116.287, -8.442, -22.838) (115.961, -8.715, -21.215) ( 0.28, 3.23, 7.11) 254: bond ( 22.087, 34.962, 11.952) ( 22.113, 34.988, 11.955) ( 0.12, 0.08, 0.02) 254: angle (165.435, -77.004, 22.812) (165.451, -76.990, 22.815) ( 0.01, 0.02, 0.01) 254: torsion ( 9.259, 8.251, -38.340) ( 9.260, 8.252, -38.324) ( 0.01, 0.01, 0.04) 254: oop ( 2.175, 1.906, -9.509) ( 1.805, 1.591, -7.909) (17.02, 16.54, 16.83) 254: vdw (-82.669, 23.444, -9.752) (-82.667, 23.444, -9.753) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-155.800, 150.666, 267.741) (-154.650, 151.649, 263.333) ( 0.74, 0.65, 1.65) 254: bond ( 9.289, 69.441, 23.457) ( 9.318, 69.474, 23.461) ( 0.31, 0.05, 0.02) 254: angle (-107.245, 105.199, 110.114) (-107.231, 105.217, 110.118) ( 0.01, 0.02, 0.00) 254: torsion (-32.308, -13.312, 54.815) (-32.307, -13.311, 54.830) ( 0.00, 0.00, 0.03) 254: oop ( -6.535, -5.596, 26.451) ( -5.431, -4.669, 22.019) (16.90, 16.58, 16.75) 254: vdw (-19.000, -5.065, 52.904) (-19.000, -5.063, 52.905) ( 0.00, 0.04, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-57.832, 13.874, -100.971) (-58.268, 13.545, -99.127) ( 0.76, 2.38, 1.83) 254: bond (-38.862, -10.395, -15.474) (-38.837, -10.368, -15.471) ( 0.07, 0.26, 0.02) 254: angle (-109.964, -43.953, -25.984) (-109.949, -43.939, -25.981) ( 0.01, 0.03, 0.01) 254: torsion ( 21.720, 18.174, -85.176) ( 21.721, 18.175, -85.164) ( 0.00, 0.00, 0.01) 254: oop ( 2.730, 2.131, -10.332) ( 2.250, 1.759, -8.506) (17.57, 17.48, 17.67) 254: vdw ( 66.545, 47.917, 35.994) ( 66.546, 47.918, 35.994) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (184.459, -239.482, -29.973) (184.508, -239.437, -29.957) ( 0.03, 0.02, 0.06) 254: bond (-32.139, 7.417, -7.582) (-32.111, 7.449, -7.577) ( 0.09, 0.43, 0.06) 254: angle (144.581, -202.810, -20.798) (144.599, -202.798, -20.794) ( 0.01, 0.01, 0.02) 254: torsion ( -1.634, -4.597, -9.079) ( -1.633, -4.596, -9.069) ( 0.06, 0.02, 0.11) 254: oop ( -0.003, -0.005, 0.035) ( -0.004, -0.005, 0.033) ( 0.00, 0.00, 0.01) 254: vdw ( 73.655, -39.487, 7.449) ( 73.657, -39.486, 7.449) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-72.114, 270.082, 106.351) (-72.064, 270.118, 106.344) ( 0.07, 0.01, 0.01) 254: bond ( 18.507, 66.722, 22.387) ( 18.545, 66.737, 22.391) ( 0.21, 0.02, 0.02) 254: angle (-58.001, 253.644, 45.410) (-57.997, 253.659, 45.411) ( 0.01, 0.01, 0.00) 254: torsion (-14.088, -14.246, 55.093) (-14.087, -14.246, 55.103) ( 0.00, 0.01, 0.02) 254: oop ( -0.043, -0.038, 0.154) ( -0.037, -0.032, 0.132) ( 0.03, 0.02, 0.34) 254: vdw (-18.489, -36.000, -16.693) (-18.488, -35.999, -16.693) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-144.386, -274.299, -65.742) (-144.318, -274.236, -65.806) ( 0.05, 0.02, 0.10) 254: bond ( 24.508, -14.699, 2.276) ( 24.539, -14.671, 2.278) ( 0.13, 0.19, 0.12) 254: angle (-110.762, -191.038, -70.306) (-110.747, -191.026, -70.305) ( 0.01, 0.01, 0.00) 254: torsion ( -6.352, -6.639, 30.953) ( -6.351, -6.638, 30.969) ( 0.01, 0.01, 0.05) 254: oop ( -0.117, -0.124, 0.529) ( -0.098, -0.104, 0.445) ( 0.22, 0.25, 4.46) 254: vdw (-51.662, -61.799, -29.194) (-51.661, -61.798, -29.193) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (122.317, 204.297, 91.404) (122.354, 204.333, 91.400) ( 0.03, 0.02, 0.00) 254: bond (-59.287, 40.804, -39.722) (-59.267, 40.822, -39.705) ( 0.03, 0.04, 0.04) 254: angle (169.152, 160.163, 141.143) (169.162, 160.174, 141.153) ( 0.01, 0.01, 0.01) 254: torsion ( 11.730, 31.489, -2.761) ( 11.730, 31.488, -2.760) ( 0.00, 0.00, 0.02) 254: oop ( -0.052, -0.048, 0.202) ( -0.044, -0.041, 0.170) ( 0.04, 0.04, 0.63) 254: vdw ( 0.773, -28.111, -7.459) ( 0.773, -28.110, -7.459) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (203.160, -45.288, -431.202) (202.847, -45.562, -429.849) ( 0.15, 0.61, 0.31) 254: bond ( 95.715, 18.633, -250.426) ( 95.719, 18.665, -250.410) ( 0.00, 0.17, 0.01) 254: angle (101.532, -91.827, -165.456) (101.541, -91.824, -165.450) ( 0.01, 0.00, 0.00) 254: torsion ( 13.941, 3.202, -5.164) ( 13.941, 3.202, -5.161) ( 0.00, 0.01, 0.05) 254: oop ( 2.059, 1.964, -8.438) ( 1.732, 1.654, -7.110) (15.90, 15.77, 15.74) 254: vdw (-10.088, 22.740, -1.718) (-10.086, 22.741, -1.718) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-119.586, -4.170, 306.701) (-119.558, -4.136, 306.738) ( 0.02, 0.82, 0.01) 254: bond (-74.362, -193.521, 251.137) (-74.343, -193.499, 251.163) ( 0.03, 0.01, 0.01) 254: angle (-42.941, 160.865, 63.012) (-42.932, 160.877, 63.023) ( 0.02, 0.01, 0.02) 254: torsion ( 3.312, 2.617, 2.887) ( 3.313, 2.617, 2.887) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.595, 25.869, -10.335) ( -5.595, 25.869, -10.335) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 1.128, -17.670, 8.275) ( 1.188, -17.614, 8.174) ( 5.31, 0.31, 1.23) 254: bond (-74.691, -54.906, -31.978) (-74.672, -54.888, -31.960) ( 0.03, 0.03, 0.06) 254: angle ( 57.560, 23.646, 21.495) ( 57.570, 23.656, 21.502) ( 0.02, 0.04, 0.03) 254: torsion ( -0.752, -2.541, 6.822) ( -0.753, -2.542, 6.822) ( 0.05, 0.04, 0.01) 254: oop ( -0.164, -0.141, 0.673) ( -0.133, -0.114, 0.545) ( 0.51, 0.38, 8.62) 254: vdw ( 19.175, 16.273, 11.263) ( 19.176, 16.274, 11.263) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 ( 7.300, -10.594, -0.715) ( 7.342, -10.551, -0.744) ( 0.59, 0.40, 2.08) 254: bond ( 70.242, -27.806, 10.923) ( 70.262, -27.788, 10.941) ( 0.03, 0.06, 0.17) 254: angle (-42.172, 23.429, -1.074) (-42.163, 23.439, -1.067) ( 0.02, 0.04, 0.67) 254: torsion ( 0.776, 0.111, -5.336) ( 0.776, 0.112, -5.332) ( 0.02, 0.01, 0.06) 254: oop ( -0.068, -0.069, 0.306) ( -0.055, -0.056, 0.248) ( 0.09, 0.09, 1.78) 254: vdw (-21.478, -6.259, -5.534) (-21.477, -6.258, -5.534) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-347.962, -83.970, -34.862) (-347.919, -83.904, -34.737) ( 0.01, 0.08, 0.36) 254: bond (-95.159, 57.313, -18.541) (-95.123, 57.343, -18.539) ( 0.04, 0.05, 0.01) 254: angle (-217.544, -227.821, 8.524) (-217.526, -227.800, 8.524) ( 0.01, 0.01, 0.00) 254: torsion ( 0.732, -1.049, -7.161) ( 0.733, -1.048, -7.131) ( 0.03, 0.07, 0.43) 254: oop ( 0.065, -0.091, -0.610) ( 0.054, -0.078, -0.517) ( 0.07, 0.12, 5.67) 254: vdw (-36.057, 87.678, -17.073) (-36.056, 87.680, -17.073) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-47.159, 1.404, -6.248) (-47.121, 1.446, -6.216) ( 0.08, 2.99, 0.52) 254: bond ( 4.431, -78.812, 12.662) ( 4.458, -78.785, 12.664) ( 0.61, 0.03, 0.01) 254: angle (-82.462, 46.267, -15.546) (-82.451, 46.280, -15.546) ( 0.01, 0.03, 0.00) 254: torsion ( 0.144, -0.241, -1.412) ( 0.144, -0.240, -1.388) ( 0.00, 0.01, 1.66) 254: oop ( -0.002, 0.003, 0.018) ( -0.003, 0.004, 0.025) ( 0.00, 0.00, 0.01) 254: vdw ( 30.730, 34.187, -1.971) ( 30.731, 34.188, -1.971) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 ( 96.852, 4.630, 8.342) ( 96.892, 4.670, 8.379) ( 0.04, 0.87, 0.43) 254: bond (-81.099, -19.893, -5.762) (-81.075, -19.864, -5.760) ( 0.03, 0.15, 0.03) 254: angle ( 84.801, 33.466, 4.032) ( 84.815, 33.475, 4.033) ( 0.02, 0.03, 0.01) 254: torsion ( 0.104, -0.149, -0.999) ( 0.104, -0.149, -0.979) ( 0.00, 0.01, 2.05) 254: oop ( 0.008, -0.012, -0.078) ( 0.007, -0.010, -0.064) ( 0.00, 0.00, 0.10) 254: vdw ( 93.038, -8.781, 11.149) ( 93.040, -8.782, 11.149) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( 24.690, -95.271, 15.467) ( 24.730, -95.231, 15.482) ( 0.16, 0.04, 0.10) 254: bond ( -7.132, 82.507, -13.213) ( -7.103, 82.532, -13.212) ( 0.40, 0.03, 0.01) 254: angle ( -4.266, -90.118, 13.138) ( -4.256, -90.105, 13.138) ( 0.23, 0.01, 0.00) 254: torsion ( 0.185, -0.262, -1.771) ( 0.185, -0.261, -1.751) ( 0.00, 0.01, 1.16) 254: oop ( -0.005, 0.007, 0.047) ( -0.004, 0.006, 0.039) ( 0.00, 0.00, 0.04) 254: vdw ( 35.908, -87.405, 17.267) ( 35.909, -87.403, 17.267) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-14.226, 47.407, -7.376) (-14.186, 47.450, -7.339) ( 0.27, 0.09, 0.50) 254: bond ( 79.107, 23.236, 4.878) ( 79.134, 23.262, 4.880) ( 0.03, 0.11, 0.03) 254: angle (-66.419, 62.051, -14.039) (-66.406, 62.063, -14.039) ( 0.02, 0.02, 0.00) 254: torsion ( 0.056, -0.204, -1.211) ( 0.056, -0.203, -1.189) ( 0.00, 0.01, 1.85) 254: oop ( -0.002, 0.001, 0.008) ( -0.003, 0.003, 0.021) ( 0.00, 0.00, 0.01) 254: vdw (-26.968, -37.677, 2.988) (-26.968, -37.676, 2.988) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-39.515, 382.680, -63.790) (-39.454, 382.721, -63.819) ( 0.16, 0.01, 0.04) 254: bond (-133.796, 87.788, -25.421) (-133.762, 87.821, -25.419) ( 0.03, 0.04, 0.01) 254: angle (188.007, 285.937, -24.977) (188.027, 285.953, -24.977) ( 0.01, 0.01, 0.00) 254: torsion ( 0.382, -0.385, -2.583) ( 0.383, -0.384, -2.558) ( 0.01, 0.02, 0.99) 254: oop ( -0.021, 0.035, 0.233) ( -0.016, 0.027, 0.176) ( 0.01, 0.03, 1.31) 254: vdw (-94.088, 9.305, -11.042) (-94.085, 9.305, -11.042) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (212.966, -78.853, 86.599) (213.063, -78.852, 86.189) ( 0.05, 0.00, 0.47) 254: bond ( 32.722, -204.290, 33.509) ( 32.759, -204.250, 33.510) ( 0.11, 0.02, 0.00) 254: angle (159.584, 163.634, -10.633) (159.597, 163.653, -10.632) ( 0.01, 0.01, 0.01) 254: torsion ( -5.949, 8.499, 59.353) ( -5.949, 8.500, 59.376) ( 0.00, 0.01, 0.04) 254: oop ( -0.214, 0.297, 2.136) ( -0.168, 0.239, 1.700) ( 0.99, 1.74, 20.41) 254: vdw ( 26.823, -46.995, 2.235) ( 26.824, -46.994, 2.235) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (1019.396, 300.440, 81.714) (1019.454, 300.455, 81.497) ( 0.01, 0.00, 0.27) 254: bond (111.633, 0.358, 7.479) (111.661, 0.396, 7.479) ( 0.03, 1.35, 0.00) 254: angle (888.998, 300.890, 82.517) (889.014, 300.903, 82.518) ( 0.00, 0.00, 0.00) 254: torsion ( -0.754, 0.132, 4.980) ( -0.754, 0.133, 4.992) ( 0.00, 0.00, 0.25) 254: oop ( -0.014, 0.046, 0.300) ( -0.002, 0.010, 0.069) ( 0.02, 0.17, 6.96) 254: vdw ( 19.534, -0.986, -13.562) ( 19.534, -0.986, -13.562) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (-388.615, -447.620, 27.265) (-388.593, -447.552, 27.475) ( 0.01, 0.02, 0.77) 254: bond (187.005, -176.800, 44.071) (187.029, -176.769, 44.073) ( 0.01, 0.02, 0.00) 254: angle (-578.131, -267.848, -1.152) (-578.119, -267.841, -1.153) ( 0.00, 0.00, 0.03) 254: torsion ( 0.858, -2.027, -13.278) ( 0.858, -2.026, -13.269) ( 0.01, 0.01, 0.06) 254: oop ( 0.040, -0.081, -0.537) ( 0.027, -0.051, -0.337) ( 0.05, 0.25, 10.76) 254: vdw ( 1.612, -0.864, -1.840) ( 1.612, -0.864, -1.840) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (-794.623, -314.468, -466.439) (-794.605, -314.423, -466.288) ( 0.00, 0.01, 0.03) 254: bond (-161.101, 6.643, -48.436) (-161.085, 6.666, -48.428) ( 0.01, 0.34, 0.02) 254: angle (-581.286, -318.955, -397.058) (-581.278, -318.953, -397.054) ( 0.00, 0.00, 0.00) 254: torsion ( 3.410, -0.722, -12.178) ( 3.410, -0.722, -12.176) ( 0.00, 0.01, 0.02) 254: oop ( 0.022, -0.047, -0.324) ( 0.014, -0.027, -0.187) ( 0.02, 0.10, 4.46) 254: vdw (-55.668, -1.388, -8.443) (-55.666, -1.388, -8.443) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (-105.736, 234.763, 265.708) (-105.719, 234.782, 265.709) ( 0.02, 0.01, 0.00) 254: bond ( 86.180, 110.253, 19.659) ( 86.189, 110.267, 19.659) ( 0.01, 0.01, 0.00) 254: angle ( 55.099, -87.896, 251.431) ( 55.101, -87.895, 251.433) ( 0.00, 0.00, 0.00) 254: torsion ( -1.509, 0.859, 1.795) ( -1.509, 0.859, 1.795) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-245.506, 211.547, -7.177) (-245.500, 211.551, -7.178) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 (-22.924, 48.489, 2.238) (-22.916, 48.496, 2.254) ( 0.03, 0.01, 0.74) 254: bond ( 13.208, 12.111, 5.841) ( 13.216, 12.117, 5.843) ( 0.06, 0.05, 0.03) 254: angle (-43.891, 47.393, 0.985) (-43.889, 47.395, 0.985) ( 0.01, 0.00, 0.01) 254: torsion ( 0.664, 0.643, -2.841) ( 0.664, 0.644, -2.838) ( 0.01, 0.01, 0.12) 254: oop ( 0.018, 0.019, -0.080) ( 0.016, 0.016, -0.069) ( 0.00, 0.01, 0.09) 254: vdw ( 7.076, -11.676, -1.667) ( 7.077, -11.676, -1.667) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( -7.837, -44.589, 4.424) ( -7.833, -44.576, 4.426) ( 0.06, 0.03, 0.05) 254: bond ( -6.253, -34.723, 4.129) ( -6.253, -34.710, 4.129) ( 0.00, 0.04, 0.00) 254: angle ( -4.590, 0.221, -5.090) ( -4.587, 0.221, -5.088) ( 0.07, 0.00, 0.05) 254: torsion ( 0.281, -1.964, -16.082) ( 0.280, -1.964, -16.083) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 2.725, -8.123, 21.468) ( 2.726, -8.123, 21.468) ( 0.04, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 6.785, -15.171, 48.550) ( 6.791, -15.167, 48.560) ( 0.08, 0.03, 0.02) 254: bond ( 22.381, 13.458, 37.096) ( 22.384, 13.459, 37.105) ( 0.01, 0.01, 0.02) 254: angle (-15.995, 32.011, -1.965) (-15.993, 32.013, -1.964) ( 0.01, 0.01, 0.04) 254: torsion ( -6.680, -21.602, 11.866) ( -6.681, -21.603, 11.866) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 7.079, -39.037, 1.553) ( 7.080, -39.036, 1.553) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 ( 21.953, -18.144, -48.857) ( 21.956, -18.136, -48.846) ( 0.01, 0.04, 0.02) 254: bond ( 8.565, -18.256, -28.608) ( 8.566, -18.252, -28.599) ( 0.01, 0.02, 0.03) 254: angle ( -5.074, -43.418, 26.189) ( -5.072, -43.416, 26.189) ( 0.03, 0.01, 0.00) 254: torsion ( 9.100, -0.002, 2.727) ( 9.100, -0.002, 2.727) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 9.362, 43.533, -49.165) ( 9.362, 43.534, -49.164) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 (-32.837, 20.876, -23.101) (-32.827, 20.882, -23.098) ( 0.03, 0.03, 0.02) 254: bond (-33.689, 24.661, -9.207) (-33.681, 24.666, -9.207) ( 0.03, 0.02, 0.00) 254: angle ( 4.466, 3.179, -7.826) ( 4.467, 3.180, -7.823) ( 0.03, 0.05, 0.04) 254: torsion ( -3.400, -6.881, -5.998) ( -3.400, -6.881, -5.998) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.214, -0.083, -0.070) ( -0.214, -0.083, -0.070) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 ( 29.459, 32.359, 5.387) ( 29.468, 32.365, 5.391) ( 0.03, 0.02, 0.08) 254: bond ( 32.279, 25.004, 10.637) ( 32.287, 25.009, 10.638) ( 0.02, 0.02, 0.01) 254: angle ( 2.262, -0.130, -6.570) ( 2.263, -0.129, -6.566) ( 0.04, 0.02, 0.05) 254: torsion ( -4.847, 5.257, 2.351) ( -4.847, 5.257, 2.351) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.236, 2.228, -1.031) ( -0.236, 2.228, -1.031) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( 23.800, -9.730, 23.722) ( 23.807, -9.723, 23.727) ( 0.03, 0.07, 0.02) 254: bond ( 31.491, -22.473, 25.990) ( 31.497, -22.470, 25.994) ( 0.02, 0.01, 0.02) 254: angle (-10.048, -31.603, -15.144) (-10.047, -31.601, -15.143) ( 0.01, 0.01, 0.01) 254: torsion ( -0.676, 0.286, 1.067) ( -0.676, 0.286, 1.066) ( 0.01, 0.00, 0.05) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.033, 44.061, 11.809) ( 3.033, 44.062, 11.809) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 ( 15.633, 15.357, -37.055) ( 15.637, 15.361, -37.045) ( 0.03, 0.02, 0.03) 254: bond ( 19.159, 16.724, -32.895) ( 19.161, 16.726, -32.887) ( 0.01, 0.01, 0.03) 254: angle ( -3.819, -4.250, -4.386) ( -3.817, -4.248, -4.385) ( 0.05, 0.04, 0.03) 254: torsion ( -1.276, 1.541, 0.040) ( -1.276, 1.540, 0.040) ( 0.02, 0.03, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.569, 1.342, 0.187) ( 1.569, 1.342, 0.187) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-19.753, 28.914, 24.017) (-19.748, 28.922, 24.022) ( 0.02, 0.03, 0.02) 254: bond (-13.995, 29.540, 23.071) (-13.993, 29.547, 23.075) ( 0.01, 0.03, 0.02) 254: angle (-27.081, -2.299, -13.480) (-27.079, -2.298, -13.479) ( 0.01, 0.04, 0.01) 254: torsion ( 0.414, -1.810, 2.570) ( 0.414, -1.810, 2.569) ( 0.00, 0.01, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 20.909, 3.483, 11.857) ( 20.910, 3.483, 11.857) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 (-22.297, -33.757, -28.551) (-22.289, -33.748, -28.549) ( 0.03, 0.03, 0.01) 254: bond (-25.733, -29.234, -5.362) (-25.727, -29.226, -5.362) ( 0.02, 0.03, 0.00) 254: angle ( 19.085, -16.487, -1.723) ( 19.086, -16.485, -1.721) ( 0.01, 0.01, 0.11) 254: torsion ( 3.333, 1.004, -21.468) ( 3.333, 1.004, -21.468) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-18.982, 10.960, 0.002) (-18.982, 10.960, 0.002) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 (-12.011, 7.338, 43.758) (-12.007, 7.343, 43.768) ( 0.03, 0.07, 0.02) 254: bond (-11.801, 20.330, 32.128) (-11.800, 20.334, 32.137) ( 0.01, 0.02, 0.03) 254: angle ( 16.633, 4.884, 3.016) ( 16.635, 4.886, 3.016) ( 0.01, 0.03, 0.03) 254: torsion ( -7.580, -17.156, 8.071) ( -7.580, -17.155, 8.072) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -9.262, -0.721, 0.543) ( -9.262, -0.721, 0.543) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 ( 11.313, 44.694, -21.813) ( 11.315, 44.701, -21.804) ( 0.02, 0.01, 0.04) 254: bond ( -1.579, 24.927, -33.437) ( -1.579, 24.932, -33.428) ( 0.01, 0.02, 0.03) 254: angle ( 11.630, 2.486, 1.305) ( 11.633, 2.487, 1.306) ( 0.02, 0.05, 0.05) 254: torsion ( 4.701, 17.021, 12.473) ( 4.701, 17.021, 12.473) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.440, 0.260, -2.154) ( -3.440, 0.260, -2.154) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 ( -0.828, -5.232, -0.655) ( -0.821, -5.219, -0.641) ( 0.59, 0.24, 0.91) 254: bond ( -3.744, -5.083, 0.375) ( -3.739, -5.074, 0.375) ( 0.14, 0.19, 0.00) 254: angle ( 2.261, -1.631, 0.531) ( 2.264, -1.629, 0.531) ( 0.12, 0.08, 0.00) 254: torsion ( 0.141, -0.201, -1.325) ( 0.141, -0.201, -1.320) ( 0.00, 0.00, 0.39) 254: oop ( 0.005, -0.007, -0.043) ( 0.004, -0.005, -0.034) ( 0.00, 0.00, 0.04) 254: vdw ( 0.510, 1.690, -0.193) ( 0.510, 1.690, -0.193) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 (-26.249, 5.898, -5.175) (-26.234, 5.903, -5.171) ( 0.06, 0.07, 0.08) 254: bond (-29.191, 3.711, -3.730) (-29.177, 3.711, -3.730) ( 0.05, 0.01, 0.01) 254: angle ( 0.259, 1.789, -0.245) ( 0.259, 1.793, -0.245) ( 0.00, 0.22, 0.00) 254: torsion ( 0.150, -0.213, -1.393) ( 0.150, -0.213, -1.388) ( 0.00, 0.00, 0.34) 254: oop ( -0.001, 0.001, 0.007) ( -0.001, 0.001, 0.006) ( 0.00, 0.00, 0.00) 254: vdw ( 2.534, 0.611, 0.186) ( 2.534, 0.612, 0.186) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 (-14.760, 22.916, -4.947) (-14.755, 22.930, -4.936) ( 0.04, 0.06, 0.22) 254: bond (-12.077, 26.778, -5.388) (-12.074, 26.791, -5.387) ( 0.02, 0.05, 0.01) 254: angle ( -2.847, -1.306, -0.117) ( -2.843, -1.305, -0.117) ( 0.12, 0.05, 0.00) 254: torsion ( -0.021, 0.028, 0.184) ( -0.021, 0.028, 0.189) ( 0.00, 0.00, 0.09) 254: oop ( 0.004, -0.005, -0.036) ( 0.003, -0.005, -0.030) ( 0.00, 0.00, 0.02) 254: vdw ( 0.181, -2.579, 0.409) ( 0.181, -2.579, 0.409) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 ( 1.676, 4.570, 2.504) ( 1.683, 4.583, 2.523) ( 0.40, 0.29, 0.76) 254: bond ( 3.709, 4.859, -0.358) ( 3.715, 4.869, -0.358) ( 0.15, 0.19, 0.00) 254: angle ( -0.235, 0.177, 0.010) ( -0.232, 0.178, 0.010) ( 0.06, 0.02, 0.00) 254: torsion ( -0.300, 0.446, 2.942) ( -0.300, 0.446, 2.947) ( 0.00, 0.01, 0.18) 254: oop ( 0.007, -0.011, -0.070) ( 0.006, -0.009, -0.056) ( 0.00, 0.00, 0.10) 254: vdw ( -1.505, -0.901, -0.020) ( -1.505, -0.901, -0.020) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 (346.901, -95.929, -20.455) (346.888, -95.873, -20.204) ( 0.00, 0.06, 1.23) 254: bond ( 22.848, 82.013, -8.313) ( 22.850, 82.033, -8.313) ( 0.01, 0.02, 0.00) 254: angle ( 43.123, -11.220, 7.821) ( 43.127, -11.220, 7.821) ( 0.01, 0.00, 0.00) 254: torsion ( 2.724, -3.366, -25.736) ( 2.724, -3.366, -25.730) ( 0.00, 0.00, 0.02) 254: oop ( 0.108, -0.137, -1.058) ( 0.082, -0.105, -0.811) ( 0.28, 0.44, 23.28) 254: vdw (278.098, -163.217, 6.830) (278.106, -163.215, 6.829) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 2 # gradients 254: ok 3 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 ( 1.733, 15.535, -2.708) ( 1.768, 15.569, -2.688) ( 2.02, 0.22, 0.73) 254: bond ( 36.601, -0.298, 9.660) ( 36.629, -0.276, 9.662) ( 0.08, 0.65, 0.02) 254: angle (-34.951, 16.312, -8.707) (-34.945, 16.324, -8.707) ( 0.02, 0.07, 0.00) 254: torsion ( 0.899, 0.109, -3.428) ( 0.900, 0.109, -3.411) ( 0.10, 0.00, 0.49) 254: oop ( -0.001, -0.000, 0.001) ( -0.000, -0.000, 0.002) ( 0.00, 0.00, 0.00) 254: vdw ( -0.816, -0.587, -0.234) ( -0.816, -0.587, -0.234) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (151.770, -56.591, -673.348) (153.483, -56.550, -652.718) ( 1.13, 0.07, 3.06) 254: bond (-73.273, -40.784, -20.641) (-73.245, -40.761, -20.639) ( 0.04, 0.06, 0.01) 254: angle ( 49.771, -31.536, 12.075) ( 49.779, -31.523, 12.077) ( 0.02, 0.04, 0.02) 254: torsion (175.271, 15.729, -664.778) (176.947, 15.734, -644.154) ( 0.96, 0.03, 3.10) 254: oop ( 0.001, 0.000, -0.004) ( 0.001, 0.000, -0.003) ( 0.00, 0.00, 0.00) 254: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 11.806, -5.798, 2.973) ( 11.813, -5.787, 2.977) ( 0.06, 0.19, 0.14) 254: bond ( 2.228, 3.391, 0.698) ( 2.233, 3.401, 0.698) ( 0.20, 0.30, 0.03) 254: angle ( 13.563, -9.579, 3.275) ( 13.565, -9.578, 3.275) ( 0.02, 0.01, 0.00) 254: torsion ( -0.011, -0.001, 0.038) ( -0.011, -0.001, 0.041) ( 0.00, 0.00, 0.01) 254: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.974, 0.392, -1.037) ( -3.974, 0.392, -1.037) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 14.242, 5.943, 3.893) ( 14.248, 5.955, 3.897) ( 0.04, 0.21, 0.10) 254: bond ( 3.136, -6.002, 0.637) ( 3.139, -5.991, 0.637) ( 0.10, 0.19, 0.01) 254: angle ( 22.453, 12.440, 6.327) ( 22.455, 12.441, 6.327) ( 0.01, 0.01, 0.00) 254: torsion ( 0.013, 0.002, -0.055) ( 0.014, 0.002, -0.052) ( 0.00, 0.00, 0.02) 254: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 254: vdw (-11.361, -0.496, -3.015) (-11.361, -0.496, -3.015) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-17.209, -11.517, -0.591) (-17.203, -11.504, -0.586) ( 0.04, 0.11, 0.32) 254: bond ( 0.266, -0.558, 0.053) ( 0.269, -0.546, 0.054) ( 0.08, 0.66, 0.00) 254: angle (-20.390, -10.603, -5.721) (-20.387, -10.602, -5.720) ( 0.01, 0.01, 0.00) 254: torsion ( -1.066, -0.129, 4.031) ( -1.065, -0.129, 4.036) ( 0.03, 0.00, 0.13) 254: oop ( -0.000, -0.000, 0.001) ( -0.000, -0.000, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 3.981, -0.227, 1.044) ( 3.981, -0.227, 1.044) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-372.179, 47.701, 1341.442) (-363.825, 47.767, 1443.549) ( 2.24, 0.14, 7.61) 254: bond ( 44.275, 62.791, 13.700) ( 44.295, 62.831, 13.702) ( 0.04, 0.06, 0.01) 254: angle (-26.067, 19.537, -6.133) (-26.059, 19.542, -6.123) ( 0.03, 0.02, 0.15) 254: torsion (-401.951, -35.014, 1330.809) (-393.626, -34.991, 1432.904) ( 2.07, 0.07, 7.67) 254: oop ( -0.000, -0.000, 0.001) ( -0.000, -0.000, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 11.565, 0.386, 3.065) ( 11.565, 0.386, 3.065) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (197.185, 4.513, -825.382) (199.717, 4.550, -794.431) ( 1.28, 0.80, 3.75) 254: bond (-13.334, -18.685, -4.116) (-13.320, -18.657, -4.115) ( 0.11, 0.15, 0.04) 254: angle ( -4.410, 3.395, -1.131) ( -4.408, 3.396, -1.128) ( 0.04, 0.03, 0.25) 254: torsion (214.325, 19.270, -820.312) (216.841, 19.277, -789.365) ( 1.17, 0.04, 3.77) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.604, 0.534, 0.177) ( 0.604, 0.534, 0.177) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 4 # gradients 254: ok 5 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 ( 40.034, 81.741, -137.730) ( 40.064, 81.759, -137.705) ( 0.07, 0.02, 0.02) 254: bond ( 80.618, 6.003, -10.147) ( 80.638, 6.021, -10.129) ( 0.02, 0.30, 0.18) 254: angle (-26.047, 65.441, -112.824) (-26.038, 65.449, -112.813) ( 0.04, 0.01, 0.01) 254: torsion ( -0.314, 2.650, -1.502) ( -0.314, 2.652, -1.500) ( 0.00, 0.10, 0.13) 254: oop ( -0.000, 0.071, 0.042) ( -0.000, 0.060, 0.035) ( 0.00, 0.08, 0.03) 254: vdw (-14.222, 7.576, -13.299) (-14.222, 7.576, -13.299) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-77.104, -139.691, 232.139) (-77.049, -139.571, 232.243) ( 0.07, 0.09, 0.04) 254: bond ( 24.274, -26.329, 45.326) ( 24.304, -26.317, 45.362) ( 0.12, 0.05, 0.08) 254: angle (-101.417, -109.290, 188.550) (-101.392, -109.285, 188.561) ( 0.02, 0.00, 0.01) 254: torsion ( 0.039, -3.547, -1.434) ( 0.039, -3.539, -1.431) ( 0.00, 0.23, 0.20) 254: oop ( -0.000, -0.525, -0.303) ( -0.000, -0.430, -0.249) ( 0.00, 5.00, 1.64) 254: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-31.877, -2.025, 1.109) (-31.862, -2.034, 1.121) ( 0.05, 0.45, 1.05) 254: bond (-14.354, -14.094, 24.209) (-14.347, -14.088, 24.229) ( 0.05, 0.05, 0.08) 254: angle (-20.650, 5.239, -9.179) (-20.642, 5.239, -9.177) ( 0.04, 0.01, 0.02) 254: torsion ( 0.001, -1.001, -0.581) ( 0.001, -0.999, -0.580) ( 0.00, 0.22, 0.04) 254: oop ( -0.000, 0.093, 0.054) ( -0.000, 0.075, 0.043) ( 0.00, 0.17, 0.06) 254: vdw ( 3.126, 7.739, -13.395) ( 3.126, 7.739, -13.395) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 95.636, 128.805, -196.780) ( 95.687, 128.644, -196.844) ( 0.05, 0.13, 0.03) 254: bond (-89.693, 75.277, -132.994) (-89.659, 75.286, -132.965) ( 0.04, 0.01, 0.02) 254: angle (173.432, 42.177, -72.645) (173.448, 42.180, -72.637) ( 0.01, 0.01, 0.01) 254: torsion ( 0.082, 11.261, 6.468) ( 0.082, 11.270, 6.471) ( 0.00, 0.08, 0.05) 254: oop ( -0.002, 1.098, 0.628) ( -0.002, 0.916, 0.524) ( 0.00, 16.58, 6.55) 254: vdw ( 11.817, -1.008, 1.764) ( 11.817, -1.008, 1.764) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-61.047, -45.589, 66.224) (-61.039, -45.512, 66.279) ( 0.01, 0.17, 0.08) 254: bond (-38.907, -40.200, 71.261) (-38.903, -40.195, 71.275) ( 0.01, 0.01, 0.02) 254: angle (-37.911, 9.172, -15.518) (-37.907, 9.172, -15.518) ( 0.01, 0.00, 0.00) 254: torsion ( -0.075, -6.078, -3.468) ( -0.075, -6.075, -3.467) ( 0.00, 0.04, 0.02) 254: oop ( -0.001, -0.383, -0.216) ( -0.000, -0.313, -0.177) ( 0.00, 2.70, 0.86) 254: vdw ( 15.846, -8.100, 14.165) ( 15.846, -8.100, 14.166) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 90.579, -16.110, 22.603) ( 90.602, -16.055, 22.637) ( 0.03, 0.34, 0.15) 254: bond ( 82.156, 3.085, -4.208) ( 82.179, 3.085, -4.208) ( 0.03, 0.01, 0.01) 254: angle ( 1.185, -9.564, 16.125) ( 1.185, -9.562, 16.129) ( 0.00, 0.01, 0.02) 254: torsion ( 0.017, -2.241, -1.310) ( 0.017, -2.239, -1.309) ( 0.00, 0.08, 0.05) 254: oop ( 0.003, -0.360, -0.206) ( 0.003, -0.308, -0.176) ( 0.00, 1.90, 0.62) 254: vdw ( 7.218, -7.031, 12.201) ( 7.218, -7.031, 12.201) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (-15.415, -45.825, 3.849) (-15.412, -45.812, 3.852) ( 0.02, 0.03, 0.06) 254: bond (-12.697, -43.343, 0.901) (-12.696, -43.331, 0.901) ( 0.01, 0.03, 0.02) 254: angle ( 3.867, -1.050, 4.033) ( 3.869, -1.050, 4.035) ( 0.07, 0.02, 0.05) 254: torsion ( 0.147, -0.013, 1.444) ( 0.147, -0.013, 1.445) ( 0.00, 0.00, 0.05) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.732, -1.418, -2.528) ( -6.732, -1.418, -2.528) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-15.654, 19.646, 41.522) (-15.650, 19.651, 41.533) ( 0.02, 0.02, 0.03) 254: bond (-12.853, 20.568, 38.148) (-12.852, 20.570, 38.158) ( 0.01, 0.01, 0.03) 254: angle ( 3.943, -2.997, 2.943) ( 3.946, -2.995, 2.944) ( 0.06, 0.05, 0.02) 254: torsion ( 0.102, -0.850, 0.492) ( 0.102, -0.850, 0.492) ( 0.00, 0.04, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.846, 2.925, -0.061) ( -6.846, 2.925, -0.061) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-25.346, 18.925, -33.125) (-25.341, 18.930, -33.115) ( 0.02, 0.03, 0.03) 254: bond (-18.667, 18.966, -32.631) (-18.664, 18.968, -32.623) ( 0.01, 0.01, 0.03) 254: angle ( 3.528, 0.851, -1.525) ( 3.530, 0.852, -1.524) ( 0.06, 0.14, 0.06) 254: torsion ( 0.000, -0.208, -0.121) ( 0.000, -0.208, -0.121) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.207, -0.683, 1.153) (-10.207, -0.683, 1.153) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 6 # gradients 254: ok 7 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-124.901, 251.533, -128.003) (-124.865, 251.566, -127.974) ( 0.03, 0.01, 0.02) 254: bond (-241.892, 155.872, -136.876) (-241.868, 155.893, -136.855) ( 0.01, 0.01, 0.02) 254: angle ( 70.553, 74.197, -4.267) ( 70.564, 74.208, -4.258) ( 0.02, 0.02, 0.22) 254: torsion ( -4.351, 0.235, 7.936) ( -4.351, 0.234, 7.936) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 50.789, 21.230, 5.204) ( 50.790, 21.230, 5.204) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (103.796, -158.227, 60.957) (103.798, -158.154, 61.078) ( 0.00, 0.05, 0.20) 254: bond (177.662, -154.078, 115.966) (177.695, -154.065, 115.971) ( 0.02, 0.01, 0.00) 254: angle (-79.371, 2.427, -37.672) (-79.369, 2.439, -37.667) ( 0.00, 0.49, 0.01) 254: torsion ( 5.287, -6.260, -16.624) ( 5.287, -6.260, -16.625) ( 0.00, 0.00, 0.00) 254: oop ( 0.219, -0.317, -0.712) ( 0.185, -0.268, -0.601) ( 0.74, 1.57, 7.93) 254: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 21.862, -52.031, -15.008) ( 21.866, -52.018, -15.006) ( 0.02, 0.03, 0.02) 254: bond ( -1.880, -40.652, -7.746) ( -1.881, -40.638, -7.745) ( 0.01, 0.03, 0.00) 254: angle (-29.923, 3.090, -8.952) (-29.920, 3.090, -8.950) ( 0.01, 0.00, 0.03) 254: torsion ( 2.863, 0.677, -4.249) ( 2.863, 0.677, -4.249) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 50.802, -15.147, 5.939) ( 50.803, -15.147, 5.938) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 43.159, 11.809, -5.068) ( 43.170, 11.813, -5.064) ( 0.03, 0.03, 0.08) 254: bond ( 36.898, 15.124, -16.150) ( 36.908, 15.126, -16.149) ( 0.03, 0.01, 0.01) 254: angle ( 6.027, -6.123, 8.042) ( 6.028, -6.120, 8.044) ( 0.02, 0.04, 0.03) 254: torsion ( 0.162, 2.832, 3.024) ( 0.162, 2.831, 3.023) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.072, -0.024, 0.017) ( 0.072, -0.024, 0.017) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 ( 0.303, -0.949, 47.273) ( 0.306, -0.946, 47.286) ( 0.08, 0.24, 0.03) 254: bond ( -0.494, 7.245, 42.986) ( -0.494, 7.245, 42.999) ( 0.01, 0.00, 0.03) 254: angle ( -1.773, -6.965, 1.153) ( -1.770, -6.962, 1.153) ( 0.17, 0.04, 0.01) 254: torsion ( -1.143, -1.515, 0.242) ( -1.143, -1.515, 0.242) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.713, 0.287, 2.892) ( 3.714, 0.287, 2.892) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 88.097, -104.739, 97.655) ( 88.280, -104.887, 97.246) ( 0.21, 0.14, 0.42) 254: bond ( 21.237, -20.013, 15.611) ( 21.279, -19.990, 15.619) ( 0.20, 0.12, 0.06) 254: angle (101.256, -103.551, 78.175) (101.266, -103.532, 78.178) ( 0.01, 0.02, 0.00) 254: torsion ( -2.958, 4.240, 10.109) ( -2.958, 4.240, 10.110) ( 0.00, 0.00, 0.01) 254: oop ( -0.747, 1.091, 2.439) ( -0.616, 0.902, 2.017) ( 9.75, 17.37, 17.30) 254: vdw (-30.691, 13.494, -8.679) (-30.690, 13.494, -8.679) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( 39.508, 46.688, -7.338) ( 39.476, 46.782, -7.144) ( 0.08, 0.20, 2.64) 254: bond ( 9.695, -4.494, 4.946) ( 9.718, -4.489, 4.951) ( 0.24, 0.11, 0.12) 254: angle ( 30.142, 50.853, -13.053) ( 30.144, 50.859, -13.052) ( 0.01, 0.01, 0.00) 254: torsion ( -0.506, 0.733, 1.657) ( -0.506, 0.733, 1.657) ( 0.00, 0.00, 0.02) 254: oop ( 0.263, -0.386, -0.867) ( 0.206, -0.303, -0.679) ( 1.49, 3.22, 16.24) 254: vdw ( -0.086, -0.018, -0.021) ( -0.086, -0.018, -0.021) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-171.999, 5.773, -50.556) (-172.031, 5.844, -50.423) ( 0.02, 1.23, 0.26) 254: bond ( -1.356, 40.905, -18.794) ( -1.356, 40.918, -18.791) ( 0.02, 0.03, 0.01) 254: angle (-96.949, -13.982, -23.449) (-96.944, -13.981, -23.448) ( 0.01, 0.00, 0.00) 254: torsion ( 0.647, -0.940, -2.094) ( 0.647, -0.940, -2.094) ( 0.00, 0.01, 0.01) 254: oop ( 0.265, -0.389, -0.867) ( 0.225, -0.331, -0.737) ( 1.04, 2.27, 11.28) 254: vdw (-74.605, -19.821, -5.352) (-74.603, -19.821, -5.352) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 8 # gradients 254: ok 9 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 ( 79.151, -113.281, 196.799) ( 74.305, -106.332, 184.856) ( 6.12, 6.13, 6.07) 254: bond (101.517, -143.650, 249.265) (101.546, -143.623, 249.282) ( 0.03, 0.02, 0.01) 254: angle (-32.943, 45.373, -78.416) (-32.934, 45.383, -78.405) ( 0.03, 0.02, 0.01) 254: torsion ( -0.022, -0.007, -0.017) ( -0.021, -0.007, -0.016) ( 0.00, 0.00, 0.00) 254: oop ( 10.599, -14.997, 25.967) ( 5.714, -8.085, 13.995) (46.09, 46.09, 46.10) 254: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-197.774, -4.633, 7.852) (-197.736, -7.194, 12.372) ( 0.02, 55.28, 57.56) 254: bond (-220.390, -0.005, 0.000) (-220.363, 0.015, 0.020) ( 0.01, 0.01, 0.00) 254: angle ( -0.050, -17.052, 29.460) ( -0.039, -17.041, 29.469) ( 0.05, 0.06, 0.03) 254: torsion ( -0.000, 0.010, -0.003) ( 0.000, 0.009, -0.004) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, 5.624, -9.738) ( -0.000, 3.032, -5.248) ( 0.00, 46.09, 46.11) 254: vdw ( 22.666, 6.790, -11.866) ( 22.666, 6.791, -11.866) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 35.790, 182.731, 7.817) ( 38.267, 181.903, 12.337) ( 6.92, 0.45, 57.83) 254: bond ( 73.413, 207.701, -0.104) ( 73.434, 207.728, -0.084) ( 0.03, 0.01, 0.21) 254: angle ( 16.533, -6.005, 29.483) ( 16.544, -5.994, 29.492) ( 0.07, 0.18, 0.03) 254: torsion ( 0.009, -0.004, 0.023) ( 0.010, -0.003, 0.023) ( 0.00, 0.00, 0.00) 254: oop ( -5.302, 1.878, -9.738) ( -2.858, 1.012, -5.248) (46.09, 46.09, 46.11) 254: vdw (-48.863, -20.839, -11.847) (-48.862, -20.839, -11.847) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 34.911, -98.106, -154.854) ( 37.386, -101.529, -151.827) ( 7.09, 3.49, 1.95) 254: bond ( 73.430, -103.943, -180.098) ( 73.451, -103.921, -180.073) ( 0.03, 0.02, 0.01) 254: angle ( 16.165, -22.410, 19.547) ( 16.176, -22.400, 19.557) ( 0.07, 0.05, 0.05) 254: torsion ( -0.002, 0.009, -0.006) ( -0.001, 0.009, -0.006) ( 0.00, 0.00, 0.00) 254: oop ( -5.297, 7.495, -6.490) ( -2.855, 4.040, -3.498) (46.10, 46.10, 46.10) 254: vdw (-49.386, 20.743, 12.193) (-49.385, 20.743, 12.193) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 ( 31.635, 91.501, 0.054) ( 31.641, 91.514, 0.056) ( 0.02, 0.01, 0.01) 254: bond (-28.294, 79.889, -0.000) (-28.292, 79.901, 0.000) ( 0.01, 0.02, 0.00) 254: angle ( -0.323, -0.114, -0.029) ( -0.320, -0.113, -0.027) ( 0.10, 0.00, 0.01) 254: torsion ( -0.000, -0.000, -0.001) ( 0.000, 0.000, -0.002) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 60.252, 11.726, 0.085) ( 60.254, 11.726, 0.085) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-28.211, -39.950, 69.376) (-28.206, -39.946, 69.386) ( 0.02, 0.01, 0.01) 254: bond (-28.241, -39.967, 69.197) (-28.239, -39.964, 69.207) ( 0.01, 0.01, 0.01) 254: angle ( 0.129, 0.063, 0.091) ( 0.132, 0.065, 0.091) ( 0.04, 0.01, 0.01) 254: torsion ( -0.000, 0.004, 0.002) ( 0.000, 0.004, 0.002) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.100, -0.050, 0.086) ( -0.100, -0.050, 0.086) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( 32.891, -45.899, -79.600) ( 32.897, -45.895, -79.590) ( 0.02, 0.01, 0.01) 254: bond (-28.228, -39.956, -69.236) (-28.226, -39.952, -69.227) ( 0.01, 0.01, 0.01) 254: angle ( 0.224, 0.070, -0.135) ( 0.227, 0.072, -0.134) ( 0.07, 0.01, 0.01) 254: torsion ( -0.000, -0.006, 0.004) ( 0.000, -0.006, 0.004) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 60.894, -6.008, -10.233) ( 60.896, -6.008, -10.233) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 ( 81.326, -9.585, -5.836) ( 81.340, -9.581, -5.834) ( 0.02, 0.04, 0.04) 254: bond ( 84.815, -0.000, -0.000) ( 84.828, 0.000, 0.000) ( 0.02, 0.00, 0.00) 254: angle ( -0.000, 0.398, -0.043) ( 0.000, 0.401, -0.041) ( 0.00, 0.13, 0.01) 254: torsion ( -0.000, -0.000, -0.002) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.488, -9.982, -5.791) ( -3.488, -9.982, -5.791) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-38.408, 31.439, 64.243) (-38.403, 31.445, 64.253) ( 0.01, 0.02, 0.02) 254: bond (-28.241, 39.961, 69.197) (-28.239, 39.964, 69.207) ( 0.01, 0.01, 0.01) 254: angle ( 0.071, -0.115, 0.094) ( 0.073, -0.112, 0.095) ( 0.01, 0.03, 0.01) 254: torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.238, -8.406, -5.048) (-10.238, -8.406, -5.048) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (-37.054, 19.007, -66.658) (-37.049, 19.013, -66.648) ( 0.01, 0.03, 0.02) 254: bond (-28.186, 39.882, -69.132) (-28.184, 39.885, -69.123) ( 0.01, 0.01, 0.01) 254: angle ( 0.061, -0.204, -0.143) ( 0.063, -0.202, -0.142) ( 0.01, 0.05, 0.01) 254: torsion ( 0.007, -0.002, -0.004) ( 0.007, -0.002, -0.004) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.936, -20.668, 2.621) ( -8.936, -20.668, 2.621) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 ( 81.329, 9.798, 5.419) ( 81.343, 9.801, 5.423) ( 0.02, 0.03, 0.06) 254: bond ( 84.815, -0.023, -0.045) ( 84.829, -0.022, -0.045) ( 0.02, 0.00, 0.00) 254: angle ( -0.000, -0.204, -0.290) ( -0.000, -0.202, -0.287) ( 0.00, 0.04, 0.09) 254: torsion ( -0.000, 0.008, -0.005) ( -0.000, 0.008, -0.005) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.486, 10.017, 5.759) ( -3.486, 10.017, 5.759) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-37.251, 48.145, -49.889) (-37.247, 48.151, -49.878) ( 0.01, 0.01, 0.02) 254: bond (-28.274, 39.959, -69.218) (-28.273, 39.962, -69.209) ( 0.01, 0.01, 0.01) 254: angle ( 0.045, 0.152, 0.069) ( 0.047, 0.154, 0.070) ( 0.01, 0.03, 0.01) 254: torsion ( -0.009, -0.006, 0.000) ( -0.009, -0.006, 0.000) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -9.013, 8.040, 19.260) ( -9.013, 8.040, 19.261) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-38.542, -71.364, 5.090) (-38.538, -71.351, 5.094) ( 0.01, 0.02, 0.07) 254: bond (-28.276, -79.984, 0.044) (-28.274, -79.972, 0.045) ( 0.01, 0.02, 0.00) 254: angle ( 0.029, -0.011, 0.258) ( 0.031, -0.011, 0.261) ( 0.01, 0.00, 0.08) 254: torsion ( 0.014, -0.005, 0.009) ( 0.014, -0.005, 0.009) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.309, 8.636, 4.779) (-10.308, 8.636, 4.779) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 10 # gradients 254: ok 11 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-459.477, 649.250, -1124.640) (-425.030, 600.544, -1040.261) ( 7.50, 7.50, 7.50) 254: bond (-267.083, 377.923, -654.760) (-267.073, 377.932, -654.759) ( 0.00, 0.00, 0.00) 254: angle (-117.641, 165.638, -286.837) (-117.636, 165.643, -286.831) ( 0.00, 0.00, 0.00) 254: torsion ( -0.050, -0.016, -0.038) ( -0.049, -0.016, -0.038) ( 0.00, 0.00, 0.00) 254: oop (-74.704, 105.704, -183.005) (-40.272, 56.984, -98.633) (46.09, 46.09, 46.10) 254: vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (909.379, -95.010, 164.381) (909.405, -76.714, 132.762) ( 0.00, 19.26, 19.24) 254: bond (886.759, -0.001, 0.004) (886.777, 0.015, 0.020) ( 0.00, 0.00, 0.01) 254: angle ( -0.046, -62.174, 107.620) ( -0.038, -62.166, 107.627) ( 0.04, 0.01, 0.01) 254: torsion ( -0.000, 0.022, -0.008) ( 0.000, 0.022, -0.009) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -39.647, 68.632) ( 0.000, -21.376, 36.989) ( 0.00, 46.09, 46.11) 254: vdw ( 22.666, 6.790, -11.866) ( 22.666, 6.791, -11.866) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-248.852, -890.906, 164.380) (-266.049, -884.780, 132.762) ( 6.91, 0.69, 19.24) 254: bond (-296.159, -835.902, -0.100) (-296.142, -835.885, -0.084) ( 0.01, 0.00, 0.16) 254: angle ( 58.775, -20.921, 107.642) ( 58.783, -20.913, 107.649) ( 0.01, 0.04, 0.01) 254: torsion ( 0.022, -0.008, 0.053) ( 0.023, -0.008, 0.053) ( 0.00, 0.00, 0.00) 254: oop ( 37.373, -13.235, 68.633) ( 20.150, -7.136, 36.989) (46.09, 46.09, 46.11) 254: vdw (-48.863, -20.839, -11.847) (-48.862, -20.839, -11.847) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (-249.014, 303.413, 853.488) (-266.195, 327.787, 832.430) ( 6.90, 8.03, 2.47) 254: bond (-295.509, 418.119, 723.951) (-295.493, 418.136, 723.968) ( 0.01, 0.00, 0.00) 254: angle ( 58.556, -82.647, 71.621) ( 58.564, -82.640, 71.629) ( 0.01, 0.01, 0.01) 254: torsion ( -0.004, 0.020, -0.014) ( -0.003, 0.021, -0.013) ( 0.00, 0.00, 0.00) 254: oop ( 37.330, -52.822, 45.737) ( 20.122, -28.473, 24.654) (46.10, 46.10, 46.10) 254: vdw (-49.386, 20.743, 12.193) (-49.385, 20.743, 12.193) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 ( 31.733, 91.536, 0.053) ( 31.739, 91.548, 0.054) ( 0.02, 0.01, 0.01) 254: bond (-28.294, 79.889, -0.000) (-28.292, 79.901, 0.000) ( 0.01, 0.02, 0.00) 254: angle ( -0.225, -0.079, -0.029) ( -0.223, -0.079, -0.027) ( 0.05, 0.00, 0.01) 254: torsion ( -0.000, -0.000, -0.003) ( 0.000, 0.000, -0.004) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 60.252, 11.726, 0.085) ( 60.254, 11.726, 0.085) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-28.241, -39.940, 69.370) (-28.237, -39.935, 69.380) ( 0.01, 0.01, 0.01) 254: bond (-28.241, -39.967, 69.197) (-28.239, -39.964, 69.207) ( 0.01, 0.01, 0.01) 254: angle ( 0.099, 0.069, 0.081) ( 0.101, 0.070, 0.082) ( 0.02, 0.01, 0.01) 254: torsion ( -0.000, 0.009, 0.005) ( 0.000, 0.009, 0.005) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.100, -0.050, 0.086) ( -0.100, -0.050, 0.086) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( 32.824, -45.896, -79.574) ( 32.829, -45.891, -79.564) ( 0.02, 0.01, 0.01) 254: bond (-28.228, -39.956, -69.236) (-28.226, -39.952, -69.227) ( 0.01, 0.01, 0.01) 254: angle ( 0.157, 0.082, -0.114) ( 0.159, 0.084, -0.113) ( 0.03, 0.01, 0.01) 254: torsion ( -0.000, -0.015, 0.009) ( 0.000, -0.015, 0.009) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 60.894, -6.008, -10.233) ( 60.896, -6.008, -10.233) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 ( 81.326, -9.696, -5.838) ( 81.340, -9.693, -5.836) ( 0.02, 0.03, 0.05) 254: bond ( 84.815, -0.000, -0.000) ( 84.828, 0.000, 0.000) ( 0.02, 0.00, 0.00) 254: angle ( -0.000, 0.286, -0.043) ( 0.000, 0.289, -0.041) ( 0.00, 0.07, 0.01) 254: torsion ( -0.000, -0.000, -0.004) ( 0.000, 0.000, -0.003) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.488, -9.982, -5.791) ( -3.488, -9.982, -5.791) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-38.399, 31.454, 64.238) (-38.395, 31.459, 64.249) ( 0.01, 0.02, 0.02) 254: bond (-28.241, 39.961, 69.197) (-28.239, 39.964, 69.207) ( 0.01, 0.01, 0.01) 254: angle ( 0.079, -0.100, 0.089) ( 0.081, -0.098, 0.090) ( 0.01, 0.02, 0.01) 254: torsion ( 0.000, -0.000, 0.000) ( 0.001, -0.000, 0.000) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.238, -8.406, -5.048) (-10.238, -8.406, -5.048) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (-37.018, 19.050, -66.648) (-37.014, 19.056, -66.638) ( 0.01, 0.03, 0.02) 254: bond (-28.186, 39.882, -69.132) (-28.184, 39.885, -69.123) ( 0.01, 0.01, 0.01) 254: angle ( 0.088, -0.157, -0.127) ( 0.090, -0.155, -0.126) ( 0.02, 0.03, 0.01) 254: torsion ( 0.016, -0.006, -0.010) ( 0.016, -0.006, -0.010) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.936, -20.668, 2.621) ( -8.936, -20.668, 2.621) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 ( 81.329, 9.860, 5.501) ( 81.343, 9.863, 5.504) ( 0.02, 0.03, 0.05) 254: bond ( 84.815, -0.023, -0.045) ( 84.829, -0.022, -0.045) ( 0.02, 0.00, 0.00) 254: angle ( -0.000, -0.153, -0.202) ( -0.000, -0.151, -0.199) ( 0.00, 0.03, 0.05) 254: torsion ( -0.000, 0.019, -0.011) ( -0.000, 0.019, -0.011) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.486, 10.017, 5.759) ( -3.486, 10.017, 5.759) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-37.250, 48.120, -49.904) (-37.246, 48.125, -49.894) ( 0.01, 0.01, 0.02) 254: bond (-28.274, 39.959, -69.218) (-28.273, 39.962, -69.209) ( 0.01, 0.01, 0.01) 254: angle ( 0.058, 0.135, 0.054) ( 0.059, 0.137, 0.055) ( 0.01, 0.02, 0.00) 254: torsion ( -0.020, -0.014, 0.000) ( -0.020, -0.014, 0.000) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -9.013, 8.040, 19.260) ( -9.013, 8.040, 19.261) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-38.494, -71.381, 5.049) (-38.490, -71.368, 5.051) ( 0.01, 0.02, 0.05) 254: bond (-28.276, -79.984, 0.044) (-28.274, -79.972, 0.045) ( 0.01, 0.02, 0.00) 254: angle ( 0.058, -0.021, 0.205) ( 0.060, -0.021, 0.207) ( 0.01, 0.00, 0.05) 254: torsion ( 0.033, -0.012, 0.020) ( 0.033, -0.012, 0.020) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.309, 8.636, 4.779) (-10.308, 8.636, 4.779) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 12 # gradients 254: ok 13 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-23.613, -2.210, 2.937) (-23.569, -2.180, 2.984) ( 0.18, 1.36, 1.58) 254: bond ( 37.054, -12.937, -8.013) ( 37.079, -12.911, -8.009) ( 0.07, 0.20, 0.05) 254: angle ( 8.962, 10.378, 2.516) ( 8.976, 10.387, 2.517) ( 0.16, 0.08, 0.05) 254: torsion ( 0.413, -0.973, 2.161) ( 0.413, -0.970, 2.180) ( 0.01, 0.23, 0.87) 254: oop ( -0.012, 0.041, -0.132) ( -0.010, 0.035, -0.109) ( 0.00, 0.03, 0.30) 254: vdw (-70.030, 1.280, 6.405) (-70.028, 1.279, 6.405) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 ( 5.393, 18.793, 11.158) ( 5.423, 18.875, 11.055) ( 0.56, 0.44, 0.92) 254: bond ( 33.675, -25.493, -10.735) ( 33.703, -25.470, -10.732) ( 0.08, 0.09, 0.03) 254: angle ( 5.674, -17.005, -6.268) ( 5.685, -16.993, -6.267) ( 0.19, 0.07, 0.03) 254: torsion ( -0.145, -0.448, 2.063) ( -0.145, -0.446, 2.082) ( 0.00, 0.09, 0.93) 254: oop ( 0.056, -0.262, 0.769) ( 0.047, -0.218, 0.643) ( 0.05, 1.13, 9.71) 254: vdw (-33.868, 62.001, 25.328) (-33.867, 62.002, 25.328) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 1.940, 56.571, 23.255) ( 1.997, 56.545, 23.470) ( 2.94, 0.05, 0.92) 254: bond (-19.349, -52.993, -17.882) (-19.321, -52.969, -17.878) ( 0.14, 0.04, 0.02) 254: angle ( 19.610, 45.310, 15.043) ( 19.622, 45.322, 15.044) ( 0.06, 0.03, 0.01) 254: torsion ( 0.402, -8.286, 20.372) ( 0.402, -8.283, 20.392) ( 0.01, 0.03, 0.10) 254: oop ( -0.091, 0.393, -1.144) ( -0.076, 0.328, -0.954) ( 0.14, 2.57, 16.66) 254: vdw ( 1.369, 72.147, 6.866) ( 1.370, 72.148, 6.866) ( 0.11, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (-27.138, -3.592, -19.127) (-27.058, -4.344, -18.348) ( 0.30, 20.92, 4.08) 254: bond (-50.594, 14.579, 8.252) (-50.560, 14.605, 8.256) ( 0.07, 0.18, 0.05) 254: angle (-30.588, -25.587, 20.635) (-30.571, -25.572, 20.639) ( 0.06, 0.06, 0.02) 254: torsion ( -1.996, 13.629, -22.256) ( -1.996, 13.632, -22.238) ( 0.00, 0.02, 0.08) 254: oop ( -0.149, 3.849, -3.856) ( -0.122, 3.053, -3.103) ( 0.41, 20.67, 19.52) 254: vdw ( 56.189, -10.062, -21.902) ( 56.191, -10.062, -21.902) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-31.880, -44.982, 35.045) (-31.882, -44.749, 34.526) ( 0.01, 0.52, 1.48) 254: bond (-40.420, 41.995, 21.806) (-40.392, 42.018, 21.810) ( 0.07, 0.06, 0.02) 254: angle (-15.456, -7.499, -1.323) (-15.444, -7.487, -1.321) ( 0.08, 0.16, 0.14) 254: torsion ( 4.465, -13.505, 34.153) ( 4.466, -13.502, 34.172) ( 0.00, 0.02, 0.06) 254: oop ( 0.262, -1.152, 3.243) ( 0.219, -0.958, 2.700) ( 1.13, 16.82, 16.74) 254: vdw ( 19.269, -64.822, -22.834) ( 19.270, -64.821, -22.833) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-12.291, -27.965, -12.989) (-12.245, -27.951, -12.903) ( 0.37, 0.05, 0.66) 254: bond ( 44.261, 36.517, 8.020) ( 44.289, 36.540, 8.023) ( 0.06, 0.06, 0.04) 254: angle (-13.442, -1.258, 0.913) (-13.431, -1.246, 0.915) ( 0.08, 0.94, 0.13) 254: torsion ( -0.065, 2.436, -2.077) ( -0.065, 2.438, -2.058) ( 0.00, 0.09, 0.91) 254: oop ( -0.038, 0.156, -0.397) ( -0.032, 0.132, -0.334) ( 0.02, 0.39, 2.46) 254: vdw (-43.007, -65.816, -19.449) (-43.007, -65.815, -19.449) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (-25.860, -1.136, 338.779) (-25.614, 0.247, 337.431) ( 0.95, 121.78, 0.40) 254: bond ( 65.767, 140.323, 186.598) ( 65.806, 140.339, 186.620) ( 0.06, 0.01, 0.01) 254: angle (-41.279, 19.132, 42.502) (-41.263, 19.142, 42.512) ( 0.04, 0.05, 0.02) 254: torsion (-46.293, -174.861, 111.475) (-46.292, -174.854, 111.480) ( 0.00, 0.00, 0.00) 254: oop ( -1.261, -6.768, 7.409) ( -1.070, -5.418, 6.024) (15.15, 19.95, 18.69) 254: vdw ( -2.796, 21.037, -9.205) ( -2.795, 21.038, -9.205) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 ( 2.007, -141.218, -337.027) ( 1.906, -139.418, -337.650) ( 5.02, 1.27, 0.18) 254: bond (-148.647, -41.584, -55.210) (-148.617, -41.572, -55.173) ( 0.02, 0.03, 0.07) 254: angle (150.718, -65.909, -63.785) (150.744, -65.902, -63.775) ( 0.02, 0.01, 0.02) 254: torsion (-23.473, 13.213, -231.721) (-23.472, 13.218, -231.720) ( 0.00, 0.04, 0.00) 254: oop ( 1.005, -10.683, 4.518) ( 0.847, -8.909, 3.846) (15.73, 16.60, 14.87) 254: vdw ( 22.404, -36.254, 9.172) ( 22.405, -36.253, 9.172) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-40.105, 25.157, -120.469) (-40.036, 24.105, -119.861) ( 0.17, 4.18, 0.50) 254: bond ( 30.421, -42.975, -81.162) ( 30.425, -42.968, -81.138) ( 0.01, 0.02, 0.03) 254: angle (-97.973, -21.203, -25.506) (-97.964, -21.203, -25.506) ( 0.01, 0.00, 0.00) 254: torsion ( -6.259, 116.531, -64.058) ( -6.259, 116.532, -64.058) ( 0.00, 0.00, 0.00) 254: oop ( -0.265, 5.425, -2.973) ( -0.209, 4.364, -2.389) ( 1.47, 19.56, 19.62) 254: vdw ( 33.971, -32.620, 53.230) ( 33.972, -32.619, 53.231) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 91.167, 5.416, 71.329) ( 91.166, 4.769, 71.373) ( 0.00, 11.95, 0.06) 254: bond (226.913, -56.230, -30.230) (226.943, -56.204, -30.227) ( 0.01, 0.05, 0.01) 254: angle (-194.316, 65.945, -70.440) (-194.300, 65.958, -70.436) ( 0.01, 0.02, 0.01) 254: torsion ( 32.606, -18.848, 156.550) ( 32.607, -18.846, 156.563) ( 0.00, 0.01, 0.01) 254: oop ( 0.229, 4.708, -0.230) ( 0.181, 4.020, -0.205) ( 1.09, 14.62, 0.56) 254: vdw ( 25.735, 9.840, 15.679) ( 25.736, 9.841, 15.679) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (225.628, -206.652, 69.044) (225.683, -206.423, 69.714) ( 0.02, 0.11, 0.97) 254: bond ( 93.426, -53.532, 4.505) ( 93.459, -53.503, 4.510) ( 0.04, 0.05, 0.10) 254: angle (119.389, -90.859, 170.310) (119.405, -90.843, 170.313) ( 0.01, 0.02, 0.00) 254: torsion ( 13.029, -48.793, -96.910) ( 13.029, -48.791, -96.893) ( 0.00, 0.00, 0.02) 254: oop ( -0.069, -0.913, -3.501) ( -0.065, -0.731, -2.856) ( 0.03, 16.60, 18.45) 254: vdw ( -0.146, -12.555, -5.360) ( -0.146, -12.555, -5.360) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-93.468, -119.866, 38.940) (-93.411, -119.855, 38.827) ( 0.06, 0.01, 0.29) 254: bond (-186.226, -17.199, -4.867) (-186.184, -17.162, -4.865) ( 0.02, 0.21, 0.05) 254: angle (100.853, -104.886, -7.299) (100.869, -104.868, -7.296) ( 0.02, 0.02, 0.04) 254: torsion ( -3.809, 9.448, 48.069) ( -3.809, 9.448, 48.091) ( 0.00, 0.01, 0.04) 254: oop ( -0.012, 0.289, 1.060) ( -0.013, 0.245, 0.920) ( 0.00, 1.28, 13.28) 254: vdw ( -4.274, -7.518, 1.976) ( -4.274, -7.518, 1.977) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 ( 3.335, 288.444, -76.170) ( 3.362, 288.525, -75.893) ( 0.82, 0.03, 0.36) 254: bond ( 4.828, 149.615, -23.114) ( 4.856, 149.648, -23.113) ( 0.59, 0.02, 0.01) 254: angle ( 58.584, 79.414, -45.322) ( 58.600, 79.429, -45.321) ( 0.03, 0.02, 0.00) 254: torsion ( -0.800, 11.926, -13.399) ( -0.800, 11.927, -13.378) ( 0.02, 0.01, 0.16) 254: oop ( 0.110, -0.159, -1.678) ( 0.091, -0.129, -1.424) ( 0.21, 0.48, 15.12) 254: vdw (-59.388, 47.647, 7.343) (-59.386, 47.650, 7.343) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 ( 97.961, 147.551, 113.911) ( 98.001, 147.592, 113.202) ( 0.04, 0.03, 0.62) 254: bond (-154.829, 111.469, -0.872) (-154.804, 111.501, -0.871) ( 0.02, 0.03, 0.09) 254: angle (248.150, 36.634, 82.756) (248.166, 36.648, 82.756) ( 0.01, 0.04, 0.00) 254: torsion ( -1.838, -9.032, 27.518) ( -1.838, -9.032, 27.541) ( 0.02, 0.00, 0.08) 254: oop ( -0.039, 0.000, 3.201) ( -0.040, -0.006, 2.469) ( 0.00, 0.00, 22.88) 254: vdw ( 6.518, 8.480, 1.307) ( 6.518, 8.480, 1.307) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 (-105.638, -92.389, 26.667) (-105.524, -92.343, 27.540) ( 0.11, 0.05, 3.28) 254: bond ( 53.724, -43.269, -13.811) ( 53.752, -43.241, -13.809) ( 0.05, 0.06, 0.01) 254: angle (-150.033, -101.179, -4.308) (-150.019, -101.165, -4.309) ( 0.01, 0.01, 0.01) 254: torsion (-12.547, -1.115, 45.037) (-12.546, -1.115, 45.061) ( 0.00, 0.01, 0.05) 254: oop ( -0.413, 0.024, -4.236) ( -0.342, 0.027, -3.386) ( 2.93, 0.01, 20.05) 254: vdw ( 3.631, 53.150, 3.984) ( 3.631, 53.151, 3.984) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-73.437, 0.837, 32.603) (-73.425, 0.887, 32.365) ( 0.02, 4.21, 0.73) 254: bond ( 50.547, -70.937, -15.049) ( 50.574, -70.910, -15.048) ( 0.05, 0.04, 0.01) 254: angle (-70.177, 42.637, 8.768) (-70.165, 42.649, 8.768) ( 0.02, 0.03, 0.00) 254: torsion ( 3.371, -2.144, 22.650) ( 3.371, -2.143, 22.671) ( 0.02, 0.02, 0.09) 254: oop ( 0.179, -0.069, 1.564) ( 0.150, -0.060, 1.303) ( 0.52, 0.07, 16.70) 254: vdw (-57.357, 31.349, 14.670) (-57.356, 31.350, 14.670) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-38.012, 1.098, 26.556) (-37.969, 1.136, 26.591) ( 0.11, 3.43, 0.13) 254: bond ( 38.128, 64.277, 2.987) ( 38.153, 64.305, 2.988) ( 0.07, 0.04, 0.04) 254: angle ( 4.265, -26.112, -4.627) ( 4.279, -26.101, -4.627) ( 0.32, 0.04, 0.00) 254: torsion ( 3.666, -2.511, 22.904) ( 3.666, -2.510, 22.925) ( 0.01, 0.01, 0.09) 254: oop ( -0.014, 0.010, -0.082) ( -0.012, 0.008, -0.069) ( 0.00, 0.00, 0.11) 254: vdw (-84.058, -34.566, 5.374) (-84.056, -34.565, 5.374) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 ( -6.612, -14.388, 4.623) ( -6.583, -14.337, 4.539) ( 0.44, 0.35, 1.82) 254: bond (-23.301, 24.678, 5.043) (-23.273, 24.703, 5.044) ( 0.12, 0.10, 0.02) 254: angle ( 23.724, 18.525, -0.135) ( 23.734, 18.539, -0.135) ( 0.04, 0.08, 0.00) 254: torsion ( 0.087, -0.016, 3.427) ( 0.087, -0.016, 3.448) ( 0.00, 0.00, 0.62) 254: oop ( 0.058, -0.061, 0.636) ( 0.049, -0.051, 0.530) ( 0.06, 0.06, 6.75) 254: vdw ( -7.180, -57.513, -4.349) ( -7.180, -57.512, -4.349) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 ( 11.714, 20.273, 5.442) ( 11.764, 20.303, 5.582) ( 0.43, 0.14, 2.59) 254: bond ( 3.716, 51.056, 3.270) ( 3.743, 51.083, 3.271) ( 0.71, 0.05, 0.02) 254: angle (-53.611, 15.132, 7.002) (-53.599, 15.144, 7.002) ( 0.02, 0.08, 0.00) 254: torsion ( 1.337, -0.581, 6.526) ( 1.337, -0.581, 6.547) ( 0.01, 0.01, 0.32) 254: oop ( -0.057, 0.060, -0.698) ( -0.047, 0.050, -0.579) ( 0.06, 0.06, 8.29) 254: vdw ( 60.329, -45.394, -10.659) ( 60.330, -45.393, -10.659) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 ( 85.817, 0.348, 2.069) ( 85.847, 0.385, 2.035) ( 0.04, 1.29, 1.64) 254: bond (-102.276, 22.499, 12.095) (-102.251, 22.527, 12.096) ( 0.02, 0.13, 0.01) 254: angle (114.983, 0.338, -13.795) (114.997, 0.349, -13.795) ( 0.01, 0.36, 0.00) 254: torsion ( 3.315, 2.200, 13.926) ( 3.315, 2.200, 13.947) ( 0.01, 0.01, 0.15) 254: oop ( 0.081, 0.015, 0.475) ( 0.070, 0.011, 0.419) ( 0.09, 0.01, 2.68) 254: vdw ( 69.714, -24.704, -10.632) ( 69.716, -24.702, -10.632) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (-66.238, 22.367, 95.317) (-66.197, 22.317, 95.067) ( 0.06, 0.22, 0.26) 254: bond ( 55.099, -110.431, 101.265) ( 55.118, -110.408, 101.284) ( 0.03, 0.02, 0.02) 254: angle (-100.710, 88.879, -129.473) (-100.696, 88.891, -129.464) ( 0.01, 0.01, 0.01) 254: torsion (-18.856, 33.146, 127.144) (-18.854, 33.148, 127.149) ( 0.01, 0.01, 0.00) 254: oop ( -0.022, 0.319, 1.038) ( -0.016, 0.233, 0.756) ( 0.01, 2.77, 27.17) 254: vdw ( -1.750, 10.454, -4.658) ( -1.749, 10.454, -4.658) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 ( 10.945, -26.557, 21.043) ( 10.974, -26.528, 21.072) ( 0.26, 0.11, 0.14) 254: bond ( 78.061, -32.255, -59.087) ( 78.080, -32.237, -59.068) ( 0.02, 0.05, 0.03) 254: angle (-71.166, -17.158, 58.672) (-71.158, -17.148, 58.681) ( 0.01, 0.05, 0.02) 254: torsion ( 16.636, 5.460, 15.588) ( 16.636, 5.461, 15.588) ( 0.00, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-12.585, 17.395, 5.870) (-12.584, 17.396, 5.870) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( 33.427, -21.864, 6.423) ( 33.457, -21.835, 6.452) ( 0.09, 0.13, 0.45) 254: bond (-69.515, -53.766, 16.940) (-69.496, -53.748, 16.959) ( 0.03, 0.03, 0.11) 254: angle (104.511, 2.138, -2.504) (104.521, 2.147, -2.495) ( 0.01, 0.41, 0.34) 254: torsion ( 7.290, -4.506, 14.180) ( 7.291, -4.505, 14.182) ( 0.01, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.860, 34.269, -22.193) ( -8.858, 34.270, -22.193) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 (-59.522, 73.111, -61.491) (-59.480, 73.147, -61.474) ( 0.07, 0.05, 0.03) 254: bond ( -1.423, -127.289, 25.653) ( -1.396, -127.270, 25.672) ( 1.85, 0.02, 0.07) 254: angle (-73.912, 231.350, -63.017) (-73.899, 231.367, -63.008) ( 0.02, 0.01, 0.01) 254: torsion ( -1.153, -2.884, -31.550) ( -1.153, -2.883, -31.544) ( 0.07, 0.07, 0.02) 254: oop ( -0.002, 0.011, 0.067) ( -0.002, 0.008, 0.050) ( 0.00, 0.00, 0.11) 254: vdw ( 16.968, -28.077, 7.357) ( 16.969, -28.076, 7.357) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( -9.675, 6.016, -13.876) ( -9.641, 6.050, -13.844) ( 0.35, 0.57, 0.23) 254: bond (-21.693, 101.511, -10.537) (-21.673, 101.529, -10.518) ( 0.09, 0.02, 0.17) 254: angle (-41.649, -155.895, 4.820) (-41.638, -155.882, 4.830) ( 0.03, 0.01, 0.22) 254: torsion ( -2.346, -4.745, -0.756) ( -2.345, -4.743, -0.754) ( 0.03, 0.03, 0.21) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 56.013, 65.145, -7.403) ( 56.015, 65.146, -7.403) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 (-66.360, 63.008, 151.800) (-66.326, 63.047, 151.841) ( 0.05, 0.06, 0.03) 254: bond ( 23.914, -31.082, 126.884) ( 23.934, -31.059, 126.909) ( 0.08, 0.07, 0.02) 254: angle (-80.332, 108.889, -9.633) (-80.318, 108.904, -9.619) ( 0.02, 0.01, 0.15) 254: torsion ( -4.548, -7.157, 32.760) ( -4.547, -7.156, 32.761) ( 0.01, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.395, -7.642, 1.790) ( -5.394, -7.642, 1.790) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 ( -3.335, 28.070, 31.883) ( -3.302, 28.101, 31.915) ( 1.00, 0.11, 0.10) 254: bond ( -2.543, 116.577, 10.472) ( -2.523, 116.596, 10.490) ( 0.81, 0.02, 0.17) 254: angle (-14.795, -77.489, -16.820) (-14.784, -77.477, -16.808) ( 0.08, 0.02, 0.07) 254: torsion ( 3.122, -17.800, 28.898) ( 3.123, -17.799, 28.899) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 10.881, 6.781, 9.333) ( 10.882, 6.781, 9.333) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 (-24.969, -88.911, 251.020) (-24.932, -88.876, 251.061) ( 0.15, 0.04, 0.02) 254: bond ( 27.243, -89.704, 157.951) ( 27.263, -89.683, 157.978) ( 0.08, 0.02, 0.02) 254: angle (-61.752, 2.506, 67.387) (-61.736, 2.520, 67.401) ( 0.03, 0.56, 0.02) 254: torsion ( 16.304, 4.570, 25.812) ( 16.305, 4.570, 25.813) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.765, -6.283, -0.131) ( -6.764, -6.283, -0.131) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 (121.830, 139.624, 6.344) (121.601, 140.012, 6.557) ( 0.19, 0.28, 3.36) 254: bond ( 53.237, 119.656, 38.714) ( 53.256, 119.676, 38.733) ( 0.04, 0.02, 0.05) 254: angle ( 33.866, 64.258, -10.453) ( 33.877, 64.269, -10.439) ( 0.03, 0.02, 0.14) 254: torsion ( 11.309, -24.297, 36.020) ( 11.309, -24.296, 36.020) ( 0.00, 0.00, 0.00) 254: oop ( 2.504, -3.437, -1.712) ( 2.244, -3.079, -1.533) (10.38, 10.39, 10.43) 254: vdw ( 20.914, -16.557, -56.225) ( 20.915, -16.557, -56.224) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 (-634.732, -306.472, -606.488) (-632.744, -308.968, -607.724) ( 0.31, 0.81, 0.20) 254: bond (-277.869, 75.610, -564.058) (-277.851, 75.624, -564.017) ( 0.01, 0.02, 0.01) 254: angle (-406.214, -378.621, 3.969) (-406.199, -378.612, 3.979) ( 0.00, 0.00, 0.23) 254: torsion ( 7.598, -8.679, 14.394) ( 7.598, -8.679, 14.394) ( 0.00, 0.01, 0.00) 254: oop ( -9.905, 13.111, 6.630) ( -7.950, 10.593, 5.341) (19.74, 19.21, 19.44) 254: vdw ( 51.658, -7.894, -67.422) ( 51.659, -7.894, -67.421) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (255.888, -20.863, 326.222) (255.033, -19.748, 326.821) ( 0.33, 5.34, 0.18) 254: bond (-25.278, -142.548, 236.213) (-25.277, -142.539, 236.238) ( 0.01, 0.01, 0.01) 254: angle (245.224, 135.470, 107.978) (245.229, 135.472, 107.978) ( 0.00, 0.00, 0.00) 254: torsion ( 16.660, -22.922, -12.048) ( 16.659, -22.923, -12.048) ( 0.00, 0.00, 0.00) 254: oop ( 3.710, -4.857, -2.534) ( 2.848, -3.754, -1.960) (23.23, 22.71, 22.63) 254: vdw ( 15.572, 13.995, -3.387) ( 15.573, 13.995, -3.387) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 (714.427, 258.670, -21.571) (713.613, 259.733, -21.011) ( 0.11, 0.41, 2.60) 254: bond (224.614, 7.051, 333.105) (224.621, 7.049, 333.121) ( 0.00, 0.02, 0.01) 254: angle (185.180, 209.834, -129.309) (185.184, 209.837, -129.308) ( 0.00, 0.00, 0.00) 254: torsion (-17.793, 24.359, 11.482) (-17.793, 24.359, 11.482) ( 0.00, 0.00, 0.00) 254: oop ( 3.689, -4.821, -2.386) ( 2.858, -3.759, -1.847) (22.53, 22.02, 22.57) 254: vdw (318.736, 22.247, -234.463) (318.744, 22.246, -234.459) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 ( 71.242, -142.602, -9.270) ( 71.247, -142.570, -9.245) ( 0.01, 0.02, 0.27) 254: bond ( -6.359, -151.413, -79.773) ( -6.359, -151.384, -79.756) ( 0.00, 0.02, 0.02) 254: angle ( 74.980, -19.554, 66.012) ( 74.984, -19.551, 66.020) ( 0.01, 0.01, 0.01) 254: torsion ( -8.427, 9.675, -6.479) ( -8.427, 9.676, -6.479) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 11.049, 18.689, 10.970) ( 11.050, 18.690, 10.970) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 (-57.580, 58.619, -138.104) (-57.548, 58.623, -138.077) ( 0.06, 0.01, 0.02) 254: bond (-63.307, 3.061, -175.086) (-63.282, 3.062, -175.065) ( 0.04, 0.04, 0.01) 254: angle ( 11.175, 1.052, 6.951) ( 11.181, 1.055, 6.956) ( 0.05, 0.32, 0.08) 254: torsion ( -3.889, 38.685, 2.208) ( -3.889, 38.685, 2.208) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.559, 15.821, 27.823) ( -1.558, 15.821, 27.823) ( 0.05, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 ( 12.880, -1.499, -9.262) ( 12.896, -1.500, -9.241) ( 0.13, 0.08, 0.23) 254: bond ( 16.396, -0.223, -1.751) ( 16.411, -0.223, -1.751) ( 0.09, 0.00, 0.01) 254: angle ( -0.183, -3.658, -1.246) ( -0.183, -3.654, -1.246) ( 0.00, 0.10, 0.03) 254: torsion ( -0.658, 2.290, -6.462) ( -0.658, 2.290, -6.457) ( 0.00, 0.03, 0.07) 254: oop ( -0.010, 0.033, -0.096) ( -0.008, 0.028, -0.080) ( 0.00, 0.02, 0.16) 254: vdw ( -2.666, 0.060, 0.293) ( -2.666, 0.060, 0.293) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 ( 1.682, -17.045, 4.237) ( 1.691, -17.045, 4.278) ( 0.55, 0.00, 0.97) 254: bond ( 7.488, -13.781, -5.274) ( 7.491, -13.770, -5.272) ( 0.04, 0.08, 0.03) 254: angle ( -4.769, -2.422, -0.447) ( -4.766, -2.421, -0.447) ( 0.07, 0.03, 0.00) 254: torsion ( 0.762, -3.146, 9.292) ( 0.762, -3.145, 9.297) ( 0.00, 0.02, 0.05) 254: oop ( -0.016, 0.071, -0.208) ( -0.013, 0.059, -0.173) ( 0.00, 0.08, 0.73) 254: vdw ( -1.782, 2.233, 0.873) ( -1.782, 2.233, 0.873) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 (-13.474, -16.279, 2.644) (-13.472, -16.245, 2.585) ( 0.02, 0.21, 2.24) 254: bond ( -8.186, -13.103, -3.777) ( -8.182, -13.093, -3.776) ( 0.05, 0.08, 0.02) 254: angle ( 16.163, -8.868, -4.283) ( 16.166, -8.867, -4.283) ( 0.02, 0.01, 0.01) 254: torsion ( 1.541, -5.826, 16.856) ( 1.541, -5.826, 16.860) ( 0.00, 0.01, 0.03) 254: oop ( 0.033, -0.137, 0.403) ( 0.028, -0.115, 0.337) ( 0.02, 0.30, 2.62) 254: vdw (-23.026, 11.655, -6.553) (-23.025, 11.655, -6.553) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 ( 1.702, 16.175, -14.981) ( 1.724, 16.112, -14.751) ( 1.32, 0.39, 1.54) 254: bond ( -5.820, 11.039, 4.124) ( -5.817, 11.050, 4.125) ( 0.05, 0.10, 0.04) 254: angle ( 12.767, 6.308, 1.110) ( 12.770, 6.308, 1.110) ( 0.03, 0.01, 0.00) 254: torsion ( -1.134, 5.864, -17.312) ( -1.134, 5.864, -17.307) ( 0.00, 0.01, 0.03) 254: oop ( -0.098, 0.449, -1.342) ( -0.082, 0.374, -1.117) ( 0.16, 3.39, 16.73) 254: vdw ( -4.012, -7.485, -1.562) ( -4.012, -7.485, -1.562) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 ( 7.581, 16.776, -20.433) ( 7.594, 16.772, -20.382) ( 0.16, 0.02, 0.25) 254: bond ( 8.737, 13.297, 3.406) ( 8.741, 13.307, 3.407) ( 0.05, 0.08, 0.02) 254: angle ( 2.916, -1.685, -0.910) ( 2.919, -1.685, -0.910) ( 0.10, 0.06, 0.02) 254: torsion ( -2.476, 7.286, -22.114) ( -2.476, 7.286, -22.110) ( 0.00, 0.01, 0.02) 254: oop ( -0.031, 0.090, -0.274) ( -0.026, 0.076, -0.229) ( 0.02, 0.13, 1.23) 254: vdw ( -1.565, -2.212, -0.540) ( -1.565, -2.212, -0.540) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 40 ( 32.749, 16.958, -149.806) ( 32.672, 16.278, -149.079) ( 0.23, 4.01, 0.49) 254: bond ( 33.459, -55.246, -49.387) ( 33.463, -55.235, -49.378) ( 0.01, 0.02, 0.02) 254: angle (-26.229, -1.697, -15.875) (-26.224, -1.697, -15.874) ( 0.02, 0.03, 0.01) 254: torsion ( 34.711, 62.839, -46.773) ( 34.711, 62.841, -46.772) ( 0.00, 0.00, 0.00) 254: oop ( 0.596, 4.195, -4.289) ( 0.509, 3.503, -3.573) ( 5.14, 16.51, 16.70) 254: vdw ( -9.787, 6.866, -33.483) ( -9.786, 6.867, -33.482) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 41 (-65.197, -69.425, -57.284) (-65.175, -69.429, -57.385) ( 0.03, 0.01, 0.18) 254: bond ( 10.154, -5.855, 1.667) ( 10.165, -5.852, 1.667) ( 0.11, 0.06, 0.01) 254: angle (-38.237, -64.749, 5.881) (-38.236, -64.745, 5.881) ( 0.00, 0.01, 0.00) 254: torsion ( 7.173, -12.413, -87.325) ( 7.173, -12.413, -87.319) ( 0.00, 0.00, 0.01) 254: oop ( -0.035, 0.067, 0.450) ( -0.027, 0.051, 0.343) ( 0.03, 0.10, 4.83) 254: vdw (-44.252, 13.526, 22.043) (-44.251, 13.530, 22.043) ( 0.00, 0.03, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 42 ( 12.007, 0.809, -50.538) ( 12.023, 0.815, -50.506) ( 0.13, 0.46, 0.06) 254: bond ( 0.960, -0.653, -0.220) ( 0.970, -0.649, -0.219) ( 0.96, 0.29, 0.01) 254: angle ( 19.290, 28.705, 0.377) ( 19.291, 28.708, 0.377) ( 0.01, 0.01, 0.00) 254: torsion (-10.675, 8.352, -71.968) (-10.675, 8.352, -71.964) ( 0.00, 0.00, 0.01) 254: oop ( -0.024, 0.019, -0.163) ( -0.020, 0.016, -0.137) ( 0.01, 0.01, 0.43) 254: vdw ( 2.457, -35.613, 21.436) ( 2.457, -35.612, 21.436) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 43 ( 12.317, 5.787, 17.733) ( 12.331, 5.792, 17.749) ( 0.12, 0.08, 0.09) 254: bond ( 14.478, 6.220, -0.840) ( 14.490, 6.223, -0.840) ( 0.09, 0.04, 0.01) 254: angle ( -1.288, 3.054, 0.437) ( -1.288, 3.058, 0.437) ( 0.05, 0.11, 0.00) 254: torsion ( 1.897, -1.940, 18.353) ( 1.897, -1.940, 18.358) ( 0.00, 0.00, 0.03) 254: oop ( -0.007, 0.007, -0.068) ( -0.006, 0.006, -0.057) ( 0.00, 0.00, 0.08) 254: vdw ( -2.763, -1.555, -0.150) ( -2.763, -1.555, -0.150) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 44 ( -4.598, 11.285, 10.406) ( -4.591, 11.297, 10.440) ( 0.16, 0.10, 0.33) 254: bond ( 1.748, 14.035, 1.261) ( 1.748, 14.050, 1.262) ( 0.02, 0.10, 0.01) 254: angle ( -6.788, 0.776, 0.761) ( -6.784, 0.776, 0.761) ( 0.06, 0.00, 0.00) 254: torsion ( 0.817, -0.896, 8.840) ( 0.817, -0.896, 8.845) ( 0.00, 0.01, 0.06) 254: oop ( -0.016, 0.017, -0.169) ( -0.014, 0.014, -0.140) ( 0.00, 0.01, 0.49) 254: vdw ( -0.359, -2.647, -0.287) ( -0.358, -2.647, -0.287) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 45 (-18.905, 0.809, -12.324) (-18.899, 0.821, -12.374) ( 0.03, 1.03, 0.41) 254: bond (-14.221, 10.344, 2.191) (-14.211, 10.350, 2.191) ( 0.07, 0.05, 0.01) 254: angle ( -5.224, -7.145, -0.135) ( -5.222, -7.142, -0.135) ( 0.03, 0.04, 0.00) 254: torsion ( -1.335, 1.208, -14.366) ( -1.335, 1.208, -14.361) ( 0.00, 0.00, 0.04) 254: oop ( 0.031, -0.028, 0.331) ( 0.026, -0.023, 0.275) ( 0.02, 0.01, 1.85) 254: vdw ( 1.844, -3.571, -0.344) ( 1.844, -3.571, -0.344) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 46 (-28.919, -53.589, -18.437) (-28.911, -53.576, -18.487) ( 0.02, 0.02, 0.27) 254: bond (-13.365, -4.730, 1.249) (-13.352, -4.729, 1.249) ( 0.10, 0.04, 0.01) 254: angle (-15.396, 44.841, 5.200) (-15.395, 44.844, 5.200) ( 0.00, 0.01, 0.00) 254: torsion ( -0.655, 0.154, -6.424) ( -0.655, 0.154, -6.419) ( 0.00, 0.00, 0.08) 254: oop ( 0.042, -0.025, 0.355) ( 0.036, -0.022, 0.301) ( 0.03, 0.01, 1.93) 254: vdw ( 0.455, -93.828, -18.818) ( 0.455, -93.825, -18.818) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 47 (-26.566, 25.212, -28.839) (-26.560, 25.217, -28.827) ( 0.02, 0.02, 0.04) 254: bond (-11.055, -3.483, -22.909) (-11.053, -3.483, -22.898) ( 0.02, 0.00, 0.05) 254: angle ( -7.141, 8.375, 2.171) ( -7.139, 8.379, 2.171) ( 0.04, 0.04, 0.03) 254: torsion ( -7.520, 25.795, -0.294) ( -7.519, 25.796, -0.294) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.850, -5.475, -7.806) ( -0.850, -5.475, -7.806) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 48 (-24.351, -25.990, 1.795) (-24.340, -25.984, 1.798) ( 0.05, 0.02, 0.15) 254: bond (-45.915, -22.615, -5.946) (-45.904, -22.612, -5.946) ( 0.02, 0.01, 0.00) 254: angle ( 15.706, -30.909, -3.723) ( 15.707, -30.907, -3.721) ( 0.00, 0.01, 0.06) 254: torsion ( 6.875, -19.736, 21.983) ( 6.875, -19.736, 21.983) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.017, 47.271, -10.519) ( -1.016, 47.272, -10.519) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 49 ( 36.796, 11.520, 38.836) ( 36.800, 11.522, 38.849) ( 0.01, 0.02, 0.03) 254: bond ( 11.190, -1.507, 41.064) ( 11.191, -1.507, 41.077) ( 0.01, 0.01, 0.03) 254: angle ( 17.459, -15.585, -5.329) ( 17.462, -15.583, -5.329) ( 0.01, 0.01, 0.00) 254: torsion ( 12.306, 23.863, -2.477) ( 12.306, 23.864, -2.477) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.159, 4.748, 5.578) ( -4.159, 4.748, 5.579) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 50 (-29.076, 33.154, -18.847) (-29.072, 33.167, -18.843) ( 0.01, 0.04, 0.02) 254: bond ( -5.456, 33.426, -8.494) ( -5.455, 33.439, -8.494) ( 0.00, 0.04, 0.01) 254: angle ( 32.312, 2.037, -12.737) ( 32.315, 2.037, -12.735) ( 0.01, 0.01, 0.02) 254: torsion (-18.145, -7.077, -16.210) (-18.144, -7.077, -16.209) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-37.788, 4.768, 18.595) (-37.787, 4.768, 18.595) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 51 (-10.073, 11.672, -43.302) (-10.064, 11.676, -43.294) ( 0.08, 0.04, 0.02) 254: bond ( 31.678, -13.145, -36.411) ( 31.683, -13.145, -36.404) ( 0.02, 0.01, 0.02) 254: angle ( -1.895, -34.657, 10.864) ( -1.893, -34.655, 10.865) ( 0.07, 0.01, 0.01) 254: torsion ( 7.134, -5.604, 8.233) ( 7.135, -5.604, 8.233) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-46.990, 65.079, -25.988) (-46.989, 65.080, -25.988) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 52 (-13.218, 31.397, -25.916) (-13.213, 31.408, -25.912) ( 0.04, 0.04, 0.01) 254: bond (-13.699, 29.311, -10.293) (-13.697, 29.322, -10.292) ( 0.02, 0.04, 0.01) 254: angle (-26.614, -9.753, 7.628) (-26.611, -9.752, 7.630) ( 0.01, 0.01, 0.02) 254: torsion ( 0.561, -1.856, -6.034) ( 0.561, -1.856, -6.034) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 26.533, 13.695, -17.217) ( 26.534, 13.695, -17.217) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 53 ( 4.736, 13.131, 39.313) ( 4.742, 13.134, 39.324) ( 0.12, 0.03, 0.03) 254: bond ( 21.570, 8.503, 35.884) ( 21.574, 8.504, 35.894) ( 0.02, 0.00, 0.03) 254: angle ( -3.708, -26.999, 8.623) ( -3.707, -26.997, 8.624) ( 0.04, 0.01, 0.01) 254: torsion ( -2.608, 2.873, 0.887) ( -2.608, 2.873, 0.887) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.518, 28.753, -6.080) (-10.518, 28.754, -6.080) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 54 ( 72.754, 0.873, -14.533) ( 72.760, 0.880, -14.521) ( 0.01, 0.58, 0.08) 254: bond ( 1.977, 20.116, -45.686) ( 1.977, 20.119, -45.674) ( 0.01, 0.01, 0.03) 254: angle ( 13.749, 30.884, 14.200) ( 13.753, 30.886, 14.200) ( 0.03, 0.01, 0.00) 254: torsion ( 2.619, 9.092, 4.119) ( 2.620, 9.093, 4.119) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 54.409, -59.219, 12.834) ( 54.410, -59.218, 12.834) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 55 ( 43.347, 21.559, 39.370) ( 43.352, 21.568, 39.378) ( 0.01, 0.04, 0.02) 254: bond ( -2.040, 32.043, 31.725) ( -2.040, 32.050, 31.732) ( 0.01, 0.02, 0.02) 254: angle ( 35.192, 14.594, -12.480) ( 35.196, 14.595, -12.479) ( 0.01, 0.01, 0.01) 254: torsion ( -0.882, -8.652, 8.681) ( -0.882, -8.651, 8.681) ( 0.02, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 11.077, -16.427, 11.443) ( 11.078, -16.426, 11.443) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 56 ( 20.739, -16.581, 38.050) ( 20.744, -16.575, 38.062) ( 0.02, 0.04, 0.03) 254: bond ( -1.456, -14.668, 26.526) ( -1.456, -14.665, 26.536) ( 0.01, 0.02, 0.04) 254: angle ( -7.505, -1.343, -1.153) ( -7.502, -1.341, -1.153) ( 0.04, 0.13, 0.05) 254: torsion ( 12.012, -6.112, -2.718) ( 12.012, -6.111, -2.718) ( 0.00, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 17.689, 5.542, 15.396) ( 17.690, 5.543, 15.396) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 57 ( -9.513, -10.340, -51.789) ( -9.509, -10.332, -51.780) ( 0.05, 0.08, 0.02) 254: bond ( 1.529, -22.811, -24.383) ( 1.529, -22.804, -24.376) ( 0.01, 0.03, 0.03) 254: angle ( 2.795, 3.734, -3.320) ( 2.799, 3.735, -3.319) ( 0.12, 0.03, 0.03) 254: torsion (-11.027, 11.386, -11.344) (-11.027, 11.386, -11.344) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -2.810, -2.650, -12.741) ( -2.809, -2.649, -12.741) ( 0.04, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 58 ( 7.764, -8.888, -82.637) ( 7.767, -8.880, -82.625) ( 0.04, 0.09, 0.01) 254: bond ( 0.583, 21.754, -28.028) ( 0.582, 21.759, -28.020) ( 0.01, 0.02, 0.03) 254: angle ( -6.302, -6.960, -5.535) ( -6.299, -6.957, -5.534) ( 0.05, 0.03, 0.03) 254: torsion ( 11.584, -9.359, -7.027) ( 11.585, -9.359, -7.027) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.899, -14.323, -42.046) ( 1.899, -14.323, -42.045) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 59 ( 15.771, -54.382, 11.456) ( 15.776, -54.374, 11.464) ( 0.03, 0.01, 0.07) 254: bond ( -2.380, -21.430, 23.359) ( -2.380, -21.424, 23.366) ( 0.00, 0.03, 0.03) 254: angle ( -0.520, 6.883, 6.258) ( -0.517, 6.884, 6.259) ( 0.17, 0.02, 0.02) 254: torsion ( 20.490, -19.643, -15.922) ( 20.490, -19.642, -15.922) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.819, -20.193, -2.239) ( -1.818, -20.192, -2.239) ( 0.05, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 60 (-20.601, -1.270, -45.454) (-20.596, -1.265, -45.443) ( 0.02, 0.41, 0.02) 254: bond ( -2.300, -15.456, -26.859) ( -2.300, -15.452, -26.849) ( 0.00, 0.02, 0.04) 254: angle ( 20.424, -0.699, -1.349) ( 20.427, -0.698, -1.348) ( 0.02, 0.12, 0.04) 254: torsion (-15.240, 28.309, -14.988) (-15.239, 28.309, -14.987) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-23.486, -13.424, -2.259) (-23.484, -13.424, -2.259) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 61 (-36.188, 29.042, -85.024) (-36.183, 29.055, -85.019) ( 0.01, 0.04, 0.01) 254: bond ( -2.350, 35.403, -10.280) ( -2.350, 35.416, -10.279) ( 0.00, 0.04, 0.01) 254: angle ( -5.201, -7.746, -25.504) ( -5.198, -7.746, -25.500) ( 0.06, 0.00, 0.01) 254: torsion (-15.969, -16.076, -51.740) (-15.969, -16.077, -51.740) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-12.668, 17.462, 2.500) (-12.667, 17.462, 2.500) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 62 (-15.019, -62.910, -10.944) (-15.015, -62.898, -10.940) ( 0.03, 0.02, 0.04) 254: bond ( 9.749, -31.825, 15.219) ( 9.750, -31.815, 15.221) ( 0.01, 0.03, 0.01) 254: angle ( -8.627, 5.965, 17.990) ( -8.625, 5.965, 17.993) ( 0.03, 0.01, 0.01) 254: torsion (-15.181, -21.195, -34.574) (-15.181, -21.194, -34.575) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.960, -15.855, -9.579) ( -0.960, -15.854, -9.579) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 63 (-28.471, 30.602, -47.591) (-28.466, 30.605, -47.578) ( 0.02, 0.01, 0.03) 254: bond (-13.150, -6.799, -35.271) (-13.148, -6.799, -35.260) ( 0.01, 0.00, 0.03) 254: angle (-17.889, 11.898, 4.374) (-17.886, 11.901, 4.375) ( 0.01, 0.02, 0.01) 254: torsion ( -4.815, 38.873, -5.700) ( -4.815, 38.873, -5.700) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 7.383, -13.370, -10.993) ( 7.384, -13.369, -10.993) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 64 ( 12.189, 96.663, -26.883) ( 12.188, 96.685, -26.877) ( 0.00, 0.02, 0.02) 254: bond ( 8.251, 84.539, -22.501) ( 8.251, 84.561, -22.500) ( 0.00, 0.03, 0.00) 254: angle ( 2.144, -11.923, -44.028) ( 2.144, -11.923, -44.025) ( 0.00, 0.00, 0.01) 254: torsion ( 0.474, -0.037, 0.033) ( 0.474, -0.037, 0.033) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.319, 24.085, 39.613) ( 1.319, 24.085, 39.614) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 65 (-284.611, 11.023, 333.937) (-284.581, 11.023, 333.948) ( 0.01, 0.00, 0.00) 254: bond ( 9.512, 1.540, -0.214) ( 9.534, 1.541, -0.214) ( 0.24, 0.04, 0.00) 254: angle ( -0.345, 0.715, -10.236) ( -0.345, 0.715, -10.232) ( 0.00, 0.00, 0.04) 254: torsion ( -0.025, 0.154, 0.012) ( -0.025, 0.154, 0.012) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-293.753, 8.613, 344.376) (-293.745, 8.613, 344.383) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 14 # gradients 254: ok 15 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (301.772, 181.352, 45.300) (301.694, 180.986, 45.998) ( 0.03, 0.20, 1.54) 254: bond ( -1.833, -0.557, -0.639) ( -1.799, -0.537, -0.631) ( 1.87, 1.12, 0.49) 254: angle (290.509, 137.927, 119.299) (290.523, 137.938, 119.304) ( 0.00, 0.01, 0.00) 254: torsion ( 12.278, 42.204, -69.671) ( 12.279, 42.210, -69.655) ( 0.00, 0.01, 0.02) 254: oop ( 0.666, 2.233, -3.691) ( 0.540, 1.829, -3.022) ( 8.41, 18.09, 18.14) 254: vdw ( 0.152, -0.454, 0.002) ( 0.152, -0.454, 0.002) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-247.311, -31.248, 77.114) (-247.151, -30.869, 76.570) ( 0.06, 1.21, 0.70) 254: bond ( 2.768, 2.470, 2.169) ( 2.795, 2.489, 2.176) ( 0.97, 0.79, 0.33) 254: angle (-228.121, 23.105, -12.124) (-228.109, 23.115, -12.121) ( 0.01, 0.04, 0.03) 254: torsion (-18.738, -51.579, 86.865) (-18.737, -51.574, 86.881) ( 0.00, 0.01, 0.02) 254: oop ( -0.643, -1.871, 3.129) ( -0.523, -1.527, 2.559) ( 7.71, 18.39, 18.22) 254: vdw ( -2.578, -3.373, -2.925) ( -2.577, -3.373, -2.925) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 53.994, 107.586, -72.680) ( 53.960, 107.403, -72.295) ( 0.06, 0.17, 0.53) 254: bond ( 4.664, -1.988, -0.584) ( 4.689, -1.967, -0.575) ( 0.53, 1.05, 0.52) 254: angle ( 30.408, 40.045, 38.844) ( 30.422, 40.056, 38.849) ( 0.05, 0.03, 0.01) 254: torsion ( 23.917, 67.645, -110.408) ( 23.918, 67.650, -110.396) ( 0.00, 0.01, 0.01) 254: oop ( 0.405, 1.150, -1.877) ( 0.331, 0.931, -1.519) ( 3.03, 19.03, 19.05) 254: vdw ( -5.400, 0.733, 1.346) ( -5.400, 0.733, 1.346) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (-219.542, -42.542, -106.540) (-219.533, -42.595, -106.018) ( 0.00, 0.13, 0.49) 254: bond ( 9.694, 0.197, 1.892) ( 9.728, 0.218, 1.902) ( 0.34, 0.41, 0.51) 254: angle (-225.909, -61.230, -28.678) (-225.892, -61.214, -28.674) ( 0.01, 0.03, 0.01) 254: torsion ( 5.825, 17.750, -74.597) ( 5.826, 17.757, -74.582) ( 0.01, 0.04, 0.02) 254: oop ( 0.187, 0.512, -1.976) ( 0.145, 0.414, -1.483) ( 0.77, 4.98, 24.96) 254: vdw ( -9.340, 0.229, -3.180) ( -9.339, 0.229, -3.180) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-103.988, -378.716, -28.757) (-103.811, -378.276, -29.357) ( 0.17, 0.12, 2.09) 254: bond ( 5.906, -1.531, 0.403) ( 5.943, -1.502, 0.415) ( 0.63, 1.85, 0.49) 254: angle (-74.604, -284.643, -178.344) (-74.592, -284.628, -178.339) ( 0.02, 0.01, 0.00) 254: torsion (-28.510, -93.641, 147.850) (-28.509, -93.635, 147.866) ( 0.00, 0.01, 0.01) 254: oop ( -0.683, -2.271, 3.669) ( -0.556, -1.881, 3.036) ( 8.64, 17.19, 17.27) 254: vdw ( -6.097, 3.370, -2.335) ( -6.097, 3.371, -2.335) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (234.949, 78.410, 194.466) (235.045, 78.340, 193.137) ( 0.04, 0.09, 0.68) 254: bond (-10.131, -0.808, 0.668) (-10.097, -0.779, 0.668) ( 0.34, 2.32, 0.03) 254: angle (234.241, 52.030, 46.614) (234.258, 52.048, 46.615) ( 0.01, 0.04, 0.00) 254: torsion ( 0.764, 25.463, 141.630) ( 0.765, 25.465, 141.650) ( 0.02, 0.01, 0.01) 254: oop ( -0.150, 0.547, 6.594) ( -0.106, 0.427, 5.244) ( 0.65, 6.52, 20.47) 254: vdw ( 10.225, 1.178, -1.039) ( 10.225, 1.178, -1.039) ( 0.00, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (103.309, 319.286, -232.860) (103.306, 319.605, -231.042) ( 0.00, 0.10, 0.78) 254: bond ( -5.496, 0.840, -0.583) ( -5.457, 0.878, -0.582) ( 0.70, 3.22, 0.04) 254: angle ( 99.415, 352.868, -36.595) ( 99.427, 352.888, -36.595) ( 0.01, 0.01, 0.00) 254: torsion ( 2.400, -30.742, -183.519) ( 2.401, -30.741, -183.498) ( 0.01, 0.00, 0.01) 254: oop ( 0.033, -1.277, -9.904) ( -0.021, -1.017, -8.109) ( 0.18, 20.38, 18.12) 254: vdw ( 6.957, -2.403, -2.258) ( 6.957, -2.403, -2.258) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-313.516, -162.733, 107.280) (-313.485, -162.746, 106.724) ( 0.01, 0.01, 0.52) 254: bond ( 1.436, 0.669, -0.084) ( 1.470, 0.696, -0.084) ( 2.43, 1.81, 0.00) 254: angle (-316.967, -170.821, 23.120) (-316.952, -170.805, 23.121) ( 0.00, 0.01, 0.00) 254: torsion ( 2.083, 6.673, 80.649) ( 2.083, 6.673, 80.671) ( 0.00, 0.00, 0.03) 254: oop ( 0.128, 0.337, 3.437) ( 0.110, 0.281, 2.859) ( 0.23, 1.88, 16.84) 254: vdw ( -0.195, 0.410, 0.157) ( -0.195, 0.410, 0.157) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (239.221, -18.397, 66.490) (239.245, -18.405, 66.061) ( 0.01, 0.05, 0.65) 254: bond ( -2.872, -3.159, 0.473) ( -2.844, -3.133, 0.474) ( 0.96, 0.82, 0.01) 254: angle (236.450, -26.016, 1.239) (236.462, -26.003, 1.239) ( 0.01, 0.05, 0.03) 254: torsion ( 2.401, 6.602, 63.163) ( 2.401, 6.602, 63.184) ( 0.00, 0.00, 0.03) 254: oop ( 0.090, 0.271, 2.597) ( 0.073, 0.223, 2.146) ( 0.15, 1.31, 17.36) 254: vdw ( 3.153, 3.905, -0.983) ( 3.153, 3.905, -0.983) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (-58.372, -59.689, -117.312) (-58.318, -59.555, -116.461) ( 0.09, 0.22, 0.72) 254: bond ( -4.647, 1.930, -0.560) ( -4.622, 1.958, -0.559) ( 0.55, 1.48, 0.03) 254: angle (-52.538, -44.247, 17.989) (-52.523, -44.233, 17.990) ( 0.03, 0.03, 0.01) 254: torsion ( -6.022, -15.499, -132.273) ( -6.022, -15.498, -132.259) ( 0.00, 0.00, 0.01) 254: oop ( -0.077, -0.470, -4.290) ( -0.064, -0.379, -3.455) ( 0.10, 4.29, 19.46) 254: vdw ( 4.912, -1.402, 1.822) ( 4.913, -1.402, 1.822) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (-151.248, -155.360, -2.039) (-151.224, -155.355, -2.266) ( 0.02, 0.00, 11.15) 254: bond ( 0.883, 8.752, -1.624) ( 0.901, 8.774, -1.606) ( 1.55, 0.24, 1.12) 254: angle (-164.678, -149.716, -0.681) (-164.668, -149.706, -0.675) ( 0.01, 0.01, 0.40) 254: torsion ( 10.920, -5.505, -3.117) ( 10.918, -5.505, -3.116) ( 0.01, 0.01, 0.03) 254: oop ( 0.013, 0.092, 0.954) ( 0.011, 0.067, 0.702) ( 0.00, 0.23, 24.07) 254: vdw ( 1.614, -8.984, 2.429) ( 1.614, -8.984, 2.429) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 ( 13.751, -24.647, -39.803) ( 13.766, -24.624, -39.582) ( 0.11, 0.09, 0.56) 254: bond ( -0.858, -0.484, 0.045) ( -0.847, -0.480, 0.045) ( 0.97, 0.18, 0.00) 254: angle ( 11.796, -20.447, 3.862) ( 11.797, -20.444, 3.862) ( 0.01, 0.02, 0.01) 254: torsion ( -0.709, -2.781, -43.150) ( -0.709, -2.781, -43.144) ( 0.00, 0.00, 0.01) 254: oop ( -0.009, -0.053, -0.741) ( -0.007, -0.037, -0.525) ( 0.00, 0.09, 15.98) 254: vdw ( 3.531, -0.882, 0.180) ( 3.531, -0.882, 0.180) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-34.984, -37.445, -8.191) (-34.968, -37.411, -7.953) ( 0.05, 0.09, 2.90) 254: bond ( -2.120, 1.944, -0.158) ( -2.112, 1.950, -0.158) ( 0.38, 0.35, 0.00) 254: angle (-35.398, -37.804, 6.546) (-35.397, -37.802, 6.545) ( 0.00, 0.01, 0.00) 254: torsion ( -0.309, -1.427, -13.490) ( -0.309, -1.427, -13.484) ( 0.00, 0.01, 0.04) 254: oop ( -0.021, -0.100, -0.952) ( -0.015, -0.075, -0.719) ( 0.01, 0.25, 22.11) 254: vdw ( 2.865, -0.058, -0.137) ( 2.865, -0.058, -0.137) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (166.639, 130.450, 95.534) (166.694, 130.564, 95.423) ( 0.03, 0.09, 0.12) 254: bond ( -0.427, -7.502, -4.745) ( -0.410, -7.481, -4.726) ( 0.73, 0.28, 0.40) 254: angle (171.435, 135.443, 86.513) (171.445, 135.451, 86.520) ( 0.01, 0.01, 0.01) 254: torsion ( -1.753, -4.467, 7.534) ( -1.753, -4.466, 7.537) ( 0.01, 0.02, 0.03) 254: oop ( -0.107, -0.320, 0.527) ( -0.079, -0.235, 0.388) ( 0.30, 2.71, 7.32) 254: vdw ( -2.509, 7.296, 5.704) ( -2.508, 7.296, 5.704) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 (-13.714, 13.703, 11.933) (-13.644, 13.889, 11.645) ( 0.51, 1.35, 2.42) 254: bond ( 0.886, 0.415, 0.424) ( 0.896, 0.417, 0.427) ( 0.92, 0.09, 0.10) 254: angle (-10.001, 17.493, 3.901) ( -9.999, 17.496, 3.901) ( 0.01, 0.01, 0.01) 254: torsion ( -1.208, -4.254, 6.691) ( -1.207, -4.253, 6.695) ( 0.01, 0.04, 0.07) 254: oop ( -0.196, -0.624, 1.022) ( -0.139, -0.445, 0.726) ( 1.13, 11.17, 28.95) 254: vdw ( -3.195, 0.674, -0.104) ( -3.195, 0.674, -0.104) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 ( 32.568, 31.600, 21.423) ( 32.536, 31.483, 21.634) ( 0.10, 0.37, 0.98) 254: bond ( 2.020, -1.650, -0.589) ( 2.029, -1.644, -0.588) ( 0.43, 0.34, 0.04) 254: angle ( 32.320, 30.184, 27.103) ( 32.321, 30.186, 27.104) ( 0.00, 0.00, 0.00) 254: torsion ( 0.868, 2.390, -3.694) ( 0.868, 2.391, -3.690) ( 0.01, 0.06, 0.11) 254: oop ( 0.170, 0.510, -0.839) ( 0.128, 0.384, -0.634) ( 0.72, 6.42, 17.23) 254: vdw ( -2.810, 0.165, -0.558) ( -2.810, 0.166, -0.558) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 ( 83.517, 16.992, -11.075) ( 83.468, 16.852, -10.802) ( 0.06, 0.82, 2.46) 254: bond ( -0.553, 4.541, 2.614) ( -0.553, 4.557, 2.619) ( 0.01, 0.36, 0.21) 254: angle ( 82.083, -0.222, 17.717) ( 82.087, -0.222, 17.717) ( 0.01, 0.00, 0.00) 254: torsion ( 5.269, 15.175, -25.296) ( 5.270, 15.177, -25.292) ( 0.00, 0.01, 0.02) 254: oop ( 0.230, 0.713, -1.192) ( 0.176, 0.555, -0.929) ( 1.25, 11.24, 22.05) 254: vdw ( -3.512, -3.215, -4.917) ( -3.512, -3.215, -4.917) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (-90.967, 16.173, 118.304) (-90.929, 16.057, 117.521) ( 0.04, 0.72, 0.66) 254: bond ( 0.210, -4.745, 0.834) ( 0.210, -4.724, 0.834) ( 0.00, 0.45, 0.06) 254: angle (-93.772, -4.843, -3.809) (-93.768, -4.843, -3.809) ( 0.00, 0.00, 0.00) 254: torsion ( -1.467, 21.186, 120.314) ( -1.467, 21.186, 120.320) ( 0.01, 0.00, 0.00) 254: oop ( -0.035, 0.621, 3.525) ( -0.002, 0.483, 2.736) ( 0.12, 8.56, 22.38) 254: vdw ( 4.097, 3.955, -2.560) ( 4.097, 3.955, -2.560) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (-87.215, -43.200, -51.128) (-87.208, -43.194, -51.123) ( 0.01, 0.01, 0.01) 254: bond ( -0.306, 0.292, 0.237) ( -0.301, 0.298, 0.240) ( 0.16, 0.15, 0.08) 254: angle (-88.178, -61.843, -33.686) (-88.176, -61.842, -33.684) ( 0.00, 0.00, 0.00) 254: torsion ( -1.338, 15.260, -20.588) ( -1.338, 15.260, -20.588) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 2.607, 3.090, 2.908) ( 2.607, 3.090, 2.908) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (-27.197, -58.402, -2.711) (-27.190, -58.398, -2.703) ( 0.02, 0.01, 0.29) 254: bond ( -1.957, 0.921, -2.164) ( -1.952, 0.923, -2.157) ( 0.29, 0.12, 0.32) 254: angle ( -7.421, -59.431, -18.712) ( -7.420, -59.428, -18.711) ( 0.01, 0.00, 0.00) 254: torsion (-18.345, -1.997, 15.745) (-18.345, -1.997, 15.745) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.527, 2.104, 2.420) ( 0.527, 2.104, 2.420) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 ( 11.122, -50.089, -42.997) ( 11.128, -50.082, -42.990) ( 0.05, 0.01, 0.02) 254: bond ( -1.164, -1.398, 1.214) ( -1.160, -1.393, 1.218) ( 0.34, 0.40, 0.36) 254: angle ( -6.372, -37.992, -49.495) ( -6.370, -37.991, -49.493) ( 0.02, 0.00, 0.00) 254: torsion ( 19.921, -12.925, 4.198) ( 19.921, -12.925, 4.198) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.263, 2.227, 1.086) ( -1.263, 2.227, 1.086) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 ( -0.246, 86.674, -3.924) ( -0.234, 86.677, -3.920) ( 0.28, 0.00, 0.10) 254: bond ( 2.839, 0.011, -1.453) ( 2.850, 0.011, -1.450) ( 0.39, 0.00, 0.20) 254: angle ( -1.405, 90.865, -2.095) ( -1.405, 90.868, -2.094) ( 0.03, 0.00, 0.07) 254: torsion ( -1.193, 0.324, -2.342) ( -1.193, 0.324, -2.343) ( 0.01, 0.00, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.486, -4.526, 1.966) ( -0.486, -4.526, 1.966) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( 29.339, 28.487, -18.032) ( 29.341, 28.492, -18.020) ( 0.01, 0.02, 0.07) 254: bond ( 0.383, 0.838, 1.790) ( 0.383, 0.841, 1.801) ( 0.02, 0.20, 0.61) 254: angle ( 32.234, 27.224, -19.575) ( 32.235, 27.226, -19.574) ( 0.01, 0.01, 0.00) 254: torsion ( -2.678, 1.270, -0.022) ( -2.679, 1.269, -0.022) ( 0.02, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.599, -0.845, -0.224) ( -0.599, -0.845, -0.224) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( 77.507, 51.153, -0.184) ( 77.512, 51.160, -0.179) ( 0.01, 0.01, 0.09) 254: bond ( 0.256, -0.376, 0.294) ( 0.259, -0.370, 0.298) ( 0.08, 0.24, 0.12) 254: angle ( 84.291, 51.889, -9.001) ( 84.293, 51.890, -9.000) ( 0.00, 0.00, 0.01) 254: torsion ( -4.380, 2.836, 7.322) ( -4.381, 2.836, 7.322) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -2.659, -3.197, 1.201) ( -2.659, -3.197, 1.201) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 16 # gradients 254: ok 17 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (298.150, 97.504, -27.328) (298.201, 97.544, -27.307) ( 0.02, 0.04, 0.08) 254: bond (270.148, 57.230, -74.029) (270.176, 57.253, -74.018) ( 0.01, 0.04, 0.01) 254: angle ( -0.641, 0.285, -0.163) ( -0.629, 0.299, -0.154) ( 0.77, 0.40, 0.14) 254: torsion ( -0.291, 0.285, 0.476) ( -0.286, 0.290, 0.487) ( 0.15, 0.15, 0.51) 254: oop ( -0.005, 0.008, 0.016) ( 0.000, 0.003, 0.007) ( 0.00, 0.00, 0.01) 254: vdw ( 28.939, 39.697, 46.371) ( 28.940, 39.698, 46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 ( -0.049, 281.242, -143.091) ( -0.000, 281.292, -143.058) ( 0.24, 0.02, 0.02) 254: bond ( -0.026, 223.722, -177.596) ( 0.000, 223.752, -177.591) ( 0.07, 0.01, 0.00) 254: angle ( -0.016, 0.102, -0.415) ( -0.000, 0.115, -0.410) ( 0.03, 0.14, 0.23) 254: torsion ( -0.005, -0.107, -0.352) ( -0.000, -0.104, -0.338) ( 0.00, 0.03, 0.48) 254: oop ( -0.000, -0.006, -0.013) ( 0.000, -0.004, -0.005) ( 0.00, 0.00, 0.01) 254: vdw ( -0.002, 57.531, 35.285) ( -0.000, 57.532, 35.285) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( -0.049, -281.337, -143.091) ( 0.000, -281.292, -143.058) ( 0.24, 0.02, 0.02) 254: bond ( -0.026, -223.783, -177.596) ( 0.000, -223.752, -177.591) ( 0.07, 0.01, 0.00) 254: angle ( -0.016, -0.129, -0.415) ( -0.000, -0.115, -0.410) ( 0.03, 0.17, 0.23) 254: torsion ( -0.005, 0.101, -0.352) ( 0.000, 0.104, -0.338) ( 0.00, 0.03, 0.48) 254: oop ( -0.000, 0.006, -0.013) ( 0.000, 0.004, -0.005) ( 0.00, 0.00, 0.01) 254: vdw ( -0.002, -57.533, 35.285) ( -0.000, -57.532, 35.285) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (298.150, -97.594, -27.328) (298.201, -97.544, -27.307) ( 0.02, 0.05, 0.08) 254: bond (270.148, -57.277, -74.029) (270.176, -57.253, -74.018) ( 0.01, 0.04, 0.01) 254: angle ( -0.641, -0.313, -0.163) ( -0.629, -0.299, -0.154) ( 0.77, 0.44, 0.14) 254: torsion ( -0.291, -0.295, 0.476) ( -0.286, -0.290, 0.487) ( 0.15, 0.16, 0.51) 254: oop ( -0.005, -0.008, 0.016) ( 0.000, -0.003, 0.007) ( 0.00, 0.00, 0.01) 254: vdw ( 28.939, -39.700, 46.371) ( 28.940, -39.698, 46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-156.771, 186.884, -202.167) (-156.738, 186.928, -202.126) ( 0.02, 0.02, 0.02) 254: bond (-92.784, 168.051, -212.764) (-92.764, 168.078, -212.748) ( 0.02, 0.02, 0.01) 254: angle ( -0.061, 0.692, 0.134) ( -0.050, 0.706, 0.143) ( 0.07, 0.99, 0.12) 254: torsion ( 0.267, 0.221, -0.320) ( 0.273, 0.226, -0.310) ( 0.16, 0.11, 0.32) 254: oop ( 0.007, 0.003, -0.009) ( 0.003, -0.001, -0.003) ( 0.00, 0.00, 0.00) 254: vdw (-64.201, 17.918, 10.792) (-64.200, 17.919, 10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-156.771, -186.980, -202.167) (-156.738, -186.928, -202.126) ( 0.02, 0.03, 0.02) 254: bond (-92.784, -168.105, -212.764) (-92.764, -168.078, -212.748) ( 0.02, 0.02, 0.01) 254: angle ( -0.061, -0.721, 0.134) ( -0.050, -0.706, 0.143) ( 0.07, 1.04, 0.12) 254: torsion ( 0.267, -0.231, -0.320) ( 0.273, -0.226, -0.310) ( 0.16, 0.12, 0.32) 254: oop ( 0.007, -0.003, -0.009) ( 0.003, 0.001, -0.003) ( 0.00, 0.00, 0.00) 254: vdw (-64.201, -17.920, 10.792) (-64.200, -17.919, 10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (-298.242, 97.504, -27.328) (-298.201, 97.544, -27.307) ( 0.01, 0.04, 0.08) 254: bond (-270.205, 57.230, -74.029) (-270.176, 57.253, -74.018) ( 0.01, 0.04, 0.01) 254: angle ( 0.617, 0.285, -0.163) ( 0.629, 0.299, -0.154) ( 0.74, 0.40, 0.14) 254: torsion ( 0.281, 0.285, 0.476) ( 0.286, 0.290, 0.487) ( 0.14, 0.15, 0.51) 254: oop ( 0.005, 0.008, 0.016) ( -0.000, 0.003, 0.007) ( 0.00, 0.00, 0.01) 254: vdw (-28.940, 39.697, 46.371) (-28.940, 39.698, 46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-298.242, -97.594, -27.328) (-298.201, -97.544, -27.307) ( 0.01, 0.05, 0.08) 254: bond (-270.205, -57.277, -74.029) (-270.176, -57.253, -74.018) ( 0.01, 0.04, 0.01) 254: angle ( 0.617, -0.313, -0.163) ( 0.629, -0.299, -0.154) ( 0.74, 0.44, 0.14) 254: torsion ( 0.281, -0.295, 0.476) ( 0.286, -0.290, 0.487) ( 0.14, 0.16, 0.51) 254: oop ( 0.005, -0.008, 0.016) ( -0.000, -0.003, 0.007) ( 0.00, 0.00, 0.01) 254: vdw (-28.940, -39.700, 46.371) (-28.940, -39.698, 46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (186.884, 202.096, 156.695) (186.928, 202.126, 156.738) ( 0.02, 0.02, 0.03) 254: bond (168.051, 212.732, 92.745) (168.078, 212.748, 92.764) ( 0.02, 0.01, 0.02) 254: angle ( 0.692, -0.152, 0.038) ( 0.706, -0.143, 0.050) ( 0.99, 0.14, 0.04) 254: torsion ( 0.221, 0.300, -0.279) ( 0.226, 0.310, -0.273) ( 0.11, 0.30, 0.17) 254: oop ( 0.003, 0.008, -0.008) ( -0.001, 0.003, -0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 17.918, -10.793, 64.199) ( 17.919, -10.792, 64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 27.266, 298.150, 97.504) ( 27.307, 298.201, 97.544) ( 0.15, 0.02, 0.04) 254: bond ( 74.008, 270.148, 57.230) ( 74.018, 270.176, 57.253) ( 0.01, 0.01, 0.04) 254: angle ( 0.145, -0.641, 0.285) ( 0.154, -0.629, 0.299) ( 0.13, 0.77, 0.40) 254: torsion ( -0.498, -0.291, 0.285) ( -0.487, -0.286, 0.290) ( 0.53, 0.15, 0.15) 254: oop ( -0.016, -0.005, 0.008) ( -0.007, 0.000, 0.003) ( 0.02, 0.00, 0.00) 254: vdw (-46.373, 28.939, 39.697) (-46.372, 28.940, 39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 ( 27.266, -298.242, 97.504) ( 27.307, -298.201, 97.544) ( 0.15, 0.01, 0.04) 254: bond ( 74.008, -270.205, 57.230) ( 74.018, -270.176, 57.253) ( 0.01, 0.01, 0.04) 254: angle ( 0.145, 0.617, 0.285) ( 0.154, 0.629, 0.299) ( 0.13, 0.74, 0.40) 254: torsion ( -0.498, 0.281, 0.285) ( -0.487, 0.286, 0.290) ( 0.53, 0.14, 0.15) 254: oop ( -0.016, 0.005, 0.008) ( -0.007, -0.000, 0.003) ( 0.02, 0.00, 0.00) 254: vdw (-46.373, -28.940, 39.697) (-46.372, -28.940, 39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (186.884, -202.167, 156.695) (186.928, -202.126, 156.738) ( 0.02, 0.02, 0.03) 254: bond (168.051, -212.764, 92.745) (168.078, -212.748, 92.764) ( 0.02, 0.01, 0.02) 254: angle ( 0.692, 0.134, 0.038) ( 0.706, 0.143, 0.050) ( 0.99, 0.12, 0.04) 254: torsion ( 0.221, -0.320, -0.279) ( 0.226, -0.310, -0.273) ( 0.11, 0.32, 0.17) 254: oop ( 0.003, -0.009, -0.008) ( -0.001, -0.003, -0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 17.918, 10.792, 64.199) ( 17.919, 10.792, 64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (202.096, -156.771, -186.980) (202.126, -156.738, -186.928) ( 0.02, 0.02, 0.03) 254: bond (212.732, -92.784, -168.105) (212.748, -92.764, -168.078) ( 0.01, 0.02, 0.02) 254: angle ( -0.152, -0.061, -0.721) ( -0.143, -0.050, -0.706) ( 0.14, 0.07, 1.04) 254: torsion ( 0.300, 0.267, -0.231) ( 0.310, 0.273, -0.226) ( 0.30, 0.16, 0.12) 254: oop ( 0.008, 0.007, -0.003) ( 0.003, 0.003, 0.001) ( 0.00, 0.00, 0.00) 254: vdw (-10.793, -64.201, -17.920) (-10.792, -64.200, -17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (-97.594, 27.266, -298.242) (-97.544, 27.307, -298.201) ( 0.05, 0.15, 0.01) 254: bond (-57.277, 74.008, -270.205) (-57.253, 74.018, -270.176) ( 0.04, 0.01, 0.01) 254: angle ( -0.313, 0.145, 0.617) ( -0.299, 0.154, 0.629) ( 0.44, 0.13, 0.74) 254: torsion ( -0.295, -0.498, 0.281) ( -0.290, -0.487, 0.286) ( 0.16, 0.53, 0.14) 254: oop ( -0.008, -0.016, 0.005) ( -0.003, -0.007, -0.000) ( 0.00, 0.02, 0.00) 254: vdw (-39.700, -46.373, -28.940) (-39.698, -46.372, -28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 (202.096, -156.771, 186.884) (202.126, -156.738, 186.928) ( 0.02, 0.02, 0.02) 254: bond (212.732, -92.784, 168.051) (212.748, -92.764, 168.078) ( 0.01, 0.02, 0.02) 254: angle ( -0.152, -0.061, 0.692) ( -0.143, -0.050, 0.706) ( 0.14, 0.07, 0.99) 254: torsion ( 0.300, 0.267, 0.221) ( 0.310, 0.273, 0.226) ( 0.30, 0.16, 0.11) 254: oop ( 0.008, 0.007, 0.003) ( 0.003, 0.003, -0.001) ( 0.00, 0.00, 0.00) 254: vdw (-10.793, -64.201, 17.918) (-10.792, -64.200, 17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-281.337, 143.041, -0.049) (-281.292, 143.058, 0.000) ( 0.02, 0.01, 0.24) 254: bond (-223.783, 177.585, -0.026) (-223.752, 177.591, 0.000) ( 0.01, 0.00, 0.07) 254: angle ( -0.129, 0.404, -0.016) ( -0.115, 0.410, 0.000) ( 0.17, 0.23, 0.03) 254: torsion ( 0.101, 0.325, -0.005) ( 0.104, 0.338, 0.000) ( 0.03, 0.44, 0.00) 254: oop ( 0.006, 0.012, -0.000) ( 0.004, 0.005, 0.000) ( 0.00, 0.01, 0.00) 254: vdw (-57.533, -35.285, -0.002) (-57.532, -35.285, -0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (156.695, -186.980, -202.167) (156.738, -186.928, -202.126) ( 0.03, 0.03, 0.02) 254: bond ( 92.745, -168.105, -212.764) ( 92.764, -168.078, -212.748) ( 0.02, 0.02, 0.01) 254: angle ( 0.038, -0.721, 0.134) ( 0.050, -0.706, 0.143) ( 0.04, 1.04, 0.12) 254: torsion ( -0.279, -0.231, -0.320) ( -0.273, -0.226, -0.310) ( 0.17, 0.12, 0.32) 254: oop ( -0.008, -0.003, -0.009) ( -0.003, 0.001, -0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 64.199, -17.920, 10.792) ( 64.200, -17.919, 10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (-186.980, 202.096, 156.695) (-186.928, 202.126, 156.738) ( 0.03, 0.02, 0.03) 254: bond (-168.105, 212.732, 92.745) (-168.078, 212.748, 92.764) ( 0.02, 0.01, 0.02) 254: angle ( -0.721, -0.152, 0.038) ( -0.706, -0.143, 0.050) ( 1.04, 0.14, 0.04) 254: torsion ( -0.231, 0.300, -0.279) ( -0.226, 0.310, -0.273) ( 0.12, 0.30, 0.17) 254: oop ( -0.003, 0.008, -0.008) ( 0.001, 0.003, -0.003) ( 0.00, 0.00, 0.00) 254: vdw (-17.920, -10.793, 64.199) (-17.919, -10.792, 64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (-97.594, 27.266, 298.150) (-97.544, 27.307, 298.201) ( 0.05, 0.15, 0.02) 254: bond (-57.277, 74.008, 270.148) (-57.253, 74.018, 270.176) ( 0.04, 0.01, 0.01) 254: angle ( -0.313, 0.145, -0.641) ( -0.299, 0.154, -0.629) ( 0.44, 0.13, 0.77) 254: torsion ( -0.295, -0.498, -0.291) ( -0.290, -0.487, -0.286) ( 0.16, 0.53, 0.15) 254: oop ( -0.008, -0.016, -0.005) ( -0.003, -0.007, 0.000) ( 0.00, 0.02, 0.00) 254: vdw (-39.700, -46.373, 28.939) (-39.698, -46.372, 28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 ( 97.504, 27.266, -298.242) ( 97.544, 27.307, -298.201) ( 0.04, 0.15, 0.01) 254: bond ( 57.230, 74.008, -270.205) ( 57.253, 74.018, -270.176) ( 0.04, 0.01, 0.01) 254: angle ( 0.285, 0.145, 0.617) ( 0.299, 0.154, 0.629) ( 0.40, 0.13, 0.74) 254: torsion ( 0.285, -0.498, 0.281) ( 0.290, -0.487, 0.286) ( 0.15, 0.53, 0.14) 254: oop ( 0.008, -0.016, 0.005) ( 0.003, -0.007, -0.000) ( 0.00, 0.02, 0.00) 254: vdw ( 39.697, -46.373, -28.940) ( 39.698, -46.372, -28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (156.695, 186.884, -202.167) (156.738, 186.928, -202.126) ( 0.03, 0.02, 0.02) 254: bond ( 92.745, 168.051, -212.764) ( 92.764, 168.078, -212.748) ( 0.02, 0.02, 0.01) 254: angle ( 0.038, 0.692, 0.134) ( 0.050, 0.706, 0.143) ( 0.04, 0.99, 0.12) 254: torsion ( -0.279, 0.221, -0.320) ( -0.273, 0.226, -0.310) ( 0.17, 0.11, 0.32) 254: oop ( -0.008, 0.003, -0.009) ( -0.003, -0.001, -0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 64.199, 17.918, 10.792) ( 64.200, 17.919, 10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (143.041, -0.049, 281.242) (143.058, 0.000, 281.292) ( 0.01, 0.24, 0.02) 254: bond (177.585, -0.026, 223.722) (177.591, 0.000, 223.752) ( 0.00, 0.07, 0.01) 254: angle ( 0.404, -0.016, 0.102) ( 0.410, -0.000, 0.115) ( 0.23, 0.03, 0.14) 254: torsion ( 0.325, -0.005, -0.107) ( 0.338, 0.000, -0.104) ( 0.44, 0.00, 0.03) 254: oop ( 0.012, -0.000, -0.006) ( 0.005, -0.000, -0.004) ( 0.01, 0.00, 0.00) 254: vdw (-35.285, -0.002, 57.531) (-35.285, 0.000, 57.532) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 (202.096, 156.695, -186.980) (202.126, 156.738, -186.928) ( 0.02, 0.03, 0.03) 254: bond (212.732, 92.745, -168.105) (212.748, 92.764, -168.078) ( 0.01, 0.02, 0.02) 254: angle ( -0.152, 0.038, -0.721) ( -0.143, 0.050, -0.706) ( 0.14, 0.04, 1.04) 254: torsion ( 0.300, -0.279, -0.231) ( 0.310, -0.273, -0.226) ( 0.30, 0.17, 0.12) 254: oop ( 0.008, -0.008, -0.003) ( 0.003, -0.003, 0.001) ( 0.00, 0.00, 0.00) 254: vdw (-10.793, 64.199, -17.920) (-10.792, 64.200, -17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 (-27.328, -298.242, 97.504) (-27.307, -298.201, 97.544) ( 0.08, 0.01, 0.04) 254: bond (-74.029, -270.205, 57.230) (-74.018, -270.176, 57.253) ( 0.01, 0.01, 0.04) 254: angle ( -0.163, 0.617, 0.285) ( -0.154, 0.629, 0.299) ( 0.14, 0.74, 0.40) 254: torsion ( 0.476, 0.281, 0.285) ( 0.487, 0.286, 0.290) ( 0.51, 0.14, 0.15) 254: oop ( 0.016, 0.005, 0.008) ( 0.007, -0.000, 0.003) ( 0.01, 0.00, 0.00) 254: vdw ( 46.371, -28.940, 39.697) ( 46.372, -28.940, 39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 (-97.594, -27.328, -298.242) (-97.544, -27.307, -298.201) ( 0.05, 0.08, 0.01) 254: bond (-57.277, -74.029, -270.205) (-57.253, -74.018, -270.176) ( 0.04, 0.01, 0.01) 254: angle ( -0.313, -0.163, 0.617) ( -0.299, -0.154, 0.629) ( 0.44, 0.14, 0.74) 254: torsion ( -0.295, 0.476, 0.281) ( -0.290, 0.487, 0.286) ( 0.16, 0.51, 0.14) 254: oop ( -0.008, 0.016, 0.005) ( -0.003, 0.007, -0.000) ( 0.00, 0.01, 0.00) 254: vdw (-39.700, 46.371, -28.940) (-39.698, 46.372, -28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 (-186.980, -202.167, 156.695) (-186.928, -202.126, 156.738) ( 0.03, 0.02, 0.03) 254: bond (-168.105, -212.764, 92.745) (-168.078, -212.748, 92.764) ( 0.02, 0.01, 0.02) 254: angle ( -0.721, 0.134, 0.038) ( -0.706, 0.143, 0.050) ( 1.04, 0.12, 0.04) 254: torsion ( -0.231, -0.320, -0.279) ( -0.226, -0.310, -0.273) ( 0.12, 0.32, 0.17) 254: oop ( -0.003, -0.009, -0.008) ( 0.001, -0.003, -0.003) ( 0.00, 0.00, 0.00) 254: vdw (-17.920, 10.792, 64.199) (-17.919, 10.792, 64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 (202.096, 156.695, 186.884) (202.126, 156.738, 186.928) ( 0.02, 0.03, 0.02) 254: bond (212.732, 92.745, 168.051) (212.748, 92.764, 168.078) ( 0.01, 0.02, 0.02) 254: angle ( -0.152, 0.038, 0.692) ( -0.143, 0.050, 0.706) ( 0.14, 0.04, 0.99) 254: torsion ( 0.300, -0.279, 0.221) ( 0.310, -0.273, 0.226) ( 0.30, 0.17, 0.11) 254: oop ( 0.008, -0.008, 0.003) ( 0.003, -0.003, -0.001) ( 0.00, 0.00, 0.00) 254: vdw (-10.793, 64.199, 17.918) (-10.792, 64.200, 17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 (-281.337, -143.091, -0.049) (-281.292, -143.058, 0.000) ( 0.02, 0.02, 0.24) 254: bond (-223.783, -177.596, -0.026) (-223.752, -177.591, 0.000) ( 0.01, 0.00, 0.07) 254: angle ( -0.129, -0.415, -0.016) ( -0.115, -0.410, 0.000) ( 0.17, 0.23, 0.03) 254: torsion ( 0.101, -0.352, -0.005) ( 0.104, -0.338, 0.000) ( 0.03, 0.48, 0.00) 254: oop ( 0.006, -0.013, -0.000) ( 0.004, -0.005, 0.000) ( 0.00, 0.01, 0.00) 254: vdw (-57.533, 35.285, -0.002) (-57.532, 35.285, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( 97.504, -27.328, -298.242) ( 97.544, -27.307, -298.201) ( 0.04, 0.08, 0.01) 254: bond ( 57.230, -74.029, -270.205) ( 57.253, -74.018, -270.176) ( 0.04, 0.01, 0.01) 254: angle ( 0.285, -0.163, 0.617) ( 0.299, -0.154, 0.629) ( 0.40, 0.14, 0.74) 254: torsion ( 0.285, 0.476, 0.281) ( 0.290, 0.487, 0.286) ( 0.15, 0.51, 0.14) 254: oop ( 0.008, 0.016, 0.005) ( 0.003, 0.007, -0.000) ( 0.00, 0.01, 0.00) 254: vdw ( 39.697, 46.371, -28.940) ( 39.698, 46.372, -28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 (281.242, 143.041, -0.049) (281.292, 143.058, 0.000) ( 0.02, 0.01, 0.24) 254: bond (223.722, 177.585, -0.026) (223.752, 177.591, 0.000) ( 0.01, 0.00, 0.07) 254: angle ( 0.102, 0.404, -0.016) ( 0.115, 0.410, 0.000) ( 0.14, 0.23, 0.03) 254: torsion ( -0.107, 0.325, -0.005) ( -0.104, 0.338, 0.000) ( 0.03, 0.44, 0.00) 254: oop ( -0.006, 0.012, -0.000) ( -0.004, 0.005, 0.000) ( 0.00, 0.01, 0.00) 254: vdw ( 57.531, -35.285, -0.002) ( 57.532, -35.285, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (143.041, -0.049, -281.337) (143.058, -0.000, -281.292) ( 0.01, 0.24, 0.02) 254: bond (177.585, -0.026, -223.783) (177.591, 0.000, -223.752) ( 0.00, 0.07, 0.01) 254: angle ( 0.404, -0.016, -0.129) ( 0.410, 0.000, -0.115) ( 0.23, 0.03, 0.17) 254: torsion ( 0.325, -0.005, 0.101) ( 0.338, -0.000, 0.104) ( 0.44, 0.00, 0.03) 254: oop ( 0.012, -0.000, 0.006) ( 0.005, -0.000, 0.004) ( 0.01, 0.00, 0.00) 254: vdw (-35.285, -0.002, -57.533) (-35.285, -0.000, -57.532) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 (-27.328, 298.150, 97.504) (-27.307, 298.201, 97.544) ( 0.08, 0.02, 0.04) 254: bond (-74.029, 270.148, 57.230) (-74.018, 270.176, 57.253) ( 0.01, 0.01, 0.04) 254: angle ( -0.163, -0.641, 0.285) ( -0.154, -0.629, 0.299) ( 0.14, 0.77, 0.40) 254: torsion ( 0.476, -0.291, 0.285) ( 0.487, -0.286, 0.290) ( 0.51, 0.15, 0.15) 254: oop ( 0.016, -0.005, 0.008) ( 0.007, 0.000, 0.003) ( 0.01, 0.00, 0.00) 254: vdw ( 46.371, 28.939, 39.697) ( 46.372, 28.940, 39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 (-97.594, -27.328, 298.150) (-97.544, -27.307, 298.201) ( 0.05, 0.08, 0.02) 254: bond (-57.277, -74.029, 270.148) (-57.253, -74.018, 270.176) ( 0.04, 0.01, 0.01) 254: angle ( -0.313, -0.163, -0.641) ( -0.299, -0.154, -0.629) ( 0.44, 0.14, 0.77) 254: torsion ( -0.295, 0.476, -0.291) ( -0.290, 0.487, -0.286) ( 0.16, 0.51, 0.15) 254: oop ( -0.008, 0.016, -0.005) ( -0.003, 0.007, 0.000) ( 0.00, 0.01, 0.00) 254: vdw (-39.700, 46.371, 28.939) (-39.698, 46.372, 28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 (281.242, -143.091, -0.049) (281.292, -143.058, 0.000) ( 0.02, 0.02, 0.24) 254: bond (223.722, -177.596, -0.026) (223.752, -177.591, 0.000) ( 0.01, 0.00, 0.07) 254: angle ( 0.102, -0.415, -0.016) ( 0.115, -0.410, 0.000) ( 0.14, 0.23, 0.03) 254: torsion ( -0.107, -0.352, -0.005) ( -0.104, -0.338, 0.000) ( 0.03, 0.48, 0.00) 254: oop ( -0.006, -0.013, -0.000) ( -0.004, -0.005, 0.000) ( 0.00, 0.01, 0.00) 254: vdw ( 57.531, 35.285, -0.002) ( 57.532, 35.285, 0.000) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 (-202.167, 156.695, -186.980) (-202.126, 156.738, -186.928) ( 0.02, 0.03, 0.03) 254: bond (-212.764, 92.745, -168.105) (-212.748, 92.764, -168.078) ( 0.01, 0.02, 0.02) 254: angle ( 0.134, 0.038, -0.721) ( 0.143, 0.050, -0.706) ( 0.12, 0.04, 1.04) 254: torsion ( -0.320, -0.279, -0.231) ( -0.310, -0.273, -0.226) ( 0.32, 0.17, 0.12) 254: oop ( -0.009, -0.008, -0.003) ( -0.003, -0.003, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 10.792, 64.199, -17.920) ( 10.792, 64.200, -17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 (-202.167, 156.695, 186.884) (-202.126, 156.738, 186.928) ( 0.02, 0.03, 0.02) 254: bond (-212.764, 92.745, 168.051) (-212.748, 92.764, 168.078) ( 0.01, 0.02, 0.02) 254: angle ( 0.134, 0.038, 0.692) ( 0.143, 0.050, 0.706) ( 0.12, 0.04, 0.99) 254: torsion ( -0.320, -0.279, 0.221) ( -0.310, -0.273, 0.226) ( 0.32, 0.17, 0.11) 254: oop ( -0.009, -0.008, 0.003) ( -0.003, -0.003, -0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 10.792, 64.199, 17.918) ( 10.792, 64.200, 17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 (-143.091, -0.049, 281.242) (-143.058, -0.000, 281.292) ( 0.02, 0.24, 0.02) 254: bond (-177.596, -0.026, 223.722) (-177.591, 0.000, 223.752) ( 0.00, 0.07, 0.01) 254: angle ( -0.415, -0.016, 0.102) ( -0.410, 0.000, 0.115) ( 0.23, 0.03, 0.14) 254: torsion ( -0.352, -0.005, -0.107) ( -0.338, 0.000, -0.104) ( 0.48, 0.00, 0.03) 254: oop ( -0.013, -0.000, -0.006) ( -0.005, 0.000, -0.004) ( 0.01, 0.00, 0.00) 254: vdw ( 35.285, -0.002, 57.531) ( 35.285, -0.000, 57.532) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 (-202.167, -156.771, -186.980) (-202.126, -156.738, -186.928) ( 0.02, 0.02, 0.03) 254: bond (-212.764, -92.784, -168.105) (-212.748, -92.764, -168.078) ( 0.01, 0.02, 0.02) 254: angle ( 0.134, -0.061, -0.721) ( 0.143, -0.050, -0.706) ( 0.12, 0.07, 1.04) 254: torsion ( -0.320, 0.267, -0.231) ( -0.310, 0.273, -0.226) ( 0.32, 0.16, 0.12) 254: oop ( -0.009, 0.007, -0.003) ( -0.003, 0.003, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 10.792, -64.201, -17.920) ( 10.792, -64.200, -17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 (-202.167, -156.771, 186.884) (-202.126, -156.738, 186.928) ( 0.02, 0.02, 0.02) 254: bond (-212.764, -92.784, 168.051) (-212.748, -92.764, 168.078) ( 0.01, 0.02, 0.02) 254: angle ( 0.134, -0.061, 0.692) ( 0.143, -0.050, 0.706) ( 0.12, 0.07, 0.99) 254: torsion ( -0.320, 0.267, 0.221) ( -0.310, 0.273, 0.226) ( 0.32, 0.16, 0.11) 254: oop ( -0.009, 0.007, 0.003) ( -0.003, 0.003, -0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 10.792, -64.201, 17.918) ( 10.792, -64.200, 17.919) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 40 ( 97.504, -27.328, 298.150) ( 97.544, -27.307, 298.201) ( 0.04, 0.08, 0.02) 254: bond ( 57.230, -74.029, 270.148) ( 57.253, -74.018, 270.176) ( 0.04, 0.01, 0.01) 254: angle ( 0.285, -0.163, -0.641) ( 0.299, -0.154, -0.629) ( 0.40, 0.14, 0.77) 254: torsion ( 0.285, 0.476, -0.291) ( 0.290, 0.487, -0.286) ( 0.15, 0.51, 0.15) 254: oop ( 0.008, 0.016, -0.005) ( 0.003, 0.007, 0.000) ( 0.00, 0.01, 0.00) 254: vdw ( 39.697, 46.371, 28.939) ( 39.698, 46.372, 28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 41 (-186.980, -202.167, -156.771) (-186.928, -202.126, -156.738) ( 0.03, 0.02, 0.02) 254: bond (-168.105, -212.764, -92.784) (-168.078, -212.748, -92.764) ( 0.02, 0.01, 0.02) 254: angle ( -0.721, 0.134, -0.061) ( -0.706, 0.143, -0.050) ( 1.04, 0.12, 0.07) 254: torsion ( -0.231, -0.320, 0.267) ( -0.226, -0.310, 0.273) ( 0.12, 0.32, 0.16) 254: oop ( -0.003, -0.009, 0.007) ( 0.001, -0.003, 0.003) ( 0.00, 0.00, 0.00) 254: vdw (-17.920, 10.792, -64.201) (-17.919, 10.792, -64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 42 (-298.242, 97.504, 27.266) (-298.201, 97.544, 27.307) ( 0.01, 0.04, 0.15) 254: bond (-270.205, 57.230, 74.008) (-270.176, 57.253, 74.018) ( 0.01, 0.04, 0.01) 254: angle ( 0.617, 0.285, 0.145) ( 0.629, 0.299, 0.154) ( 0.74, 0.40, 0.13) 254: torsion ( 0.281, 0.285, -0.498) ( 0.286, 0.290, -0.487) ( 0.14, 0.15, 0.53) 254: oop ( 0.005, 0.008, -0.016) ( -0.000, 0.003, -0.007) ( 0.00, 0.00, 0.02) 254: vdw (-28.940, 39.697, -46.373) (-28.940, 39.698, -46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 43 (186.884, -202.167, -156.771) (186.928, -202.126, -156.738) ( 0.02, 0.02, 0.02) 254: bond (168.051, -212.764, -92.784) (168.078, -212.748, -92.764) ( 0.02, 0.01, 0.02) 254: angle ( 0.692, 0.134, -0.061) ( 0.706, 0.143, -0.050) ( 0.99, 0.12, 0.07) 254: torsion ( 0.221, -0.320, 0.267) ( 0.226, -0.310, 0.273) ( 0.11, 0.32, 0.16) 254: oop ( 0.003, -0.009, 0.007) ( -0.001, -0.003, 0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 17.918, 10.792, -64.201) ( 17.919, 10.792, -64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 44 ( 27.266, 298.150, -97.594) ( 27.307, 298.201, -97.544) ( 0.15, 0.02, 0.05) 254: bond ( 74.008, 270.148, -57.277) ( 74.018, 270.176, -57.253) ( 0.01, 0.01, 0.04) 254: angle ( 0.145, -0.641, -0.313) ( 0.154, -0.629, -0.299) ( 0.13, 0.77, 0.44) 254: torsion ( -0.498, -0.291, -0.295) ( -0.487, -0.286, -0.290) ( 0.53, 0.15, 0.16) 254: oop ( -0.016, -0.005, -0.008) ( -0.007, 0.000, -0.003) ( 0.02, 0.00, 0.00) 254: vdw (-46.373, 28.939, -39.700) (-46.372, 28.940, -39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 45 (-27.328, 298.150, -97.594) (-27.307, 298.201, -97.544) ( 0.08, 0.02, 0.05) 254: bond (-74.029, 270.148, -57.277) (-74.018, 270.176, -57.253) ( 0.01, 0.01, 0.04) 254: angle ( -0.163, -0.641, -0.313) ( -0.154, -0.629, -0.299) ( 0.14, 0.77, 0.44) 254: torsion ( 0.476, -0.291, -0.295) ( 0.487, -0.286, -0.290) ( 0.51, 0.15, 0.16) 254: oop ( 0.016, -0.005, -0.008) ( 0.007, 0.000, -0.003) ( 0.01, 0.00, 0.00) 254: vdw ( 46.371, 28.939, -39.700) ( 46.372, 28.940, -39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 46 ( 27.266, -298.242, -97.594) ( 27.307, -298.201, -97.544) ( 0.15, 0.01, 0.05) 254: bond ( 74.008, -270.205, -57.277) ( 74.018, -270.176, -57.253) ( 0.01, 0.01, 0.04) 254: angle ( 0.145, 0.617, -0.313) ( 0.154, 0.629, -0.299) ( 0.13, 0.74, 0.44) 254: torsion ( -0.498, 0.281, -0.295) ( -0.487, 0.286, -0.290) ( 0.53, 0.14, 0.16) 254: oop ( -0.016, 0.005, -0.008) ( -0.007, -0.000, -0.003) ( 0.02, 0.00, 0.00) 254: vdw (-46.373, -28.940, -39.700) (-46.372, -28.940, -39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 47 (-156.771, -186.980, 202.096) (-156.738, -186.928, 202.126) ( 0.02, 0.03, 0.02) 254: bond (-92.784, -168.105, 212.732) (-92.764, -168.078, 212.748) ( 0.02, 0.02, 0.01) 254: angle ( -0.061, -0.721, -0.152) ( -0.050, -0.706, -0.143) ( 0.07, 1.04, 0.14) 254: torsion ( 0.267, -0.231, 0.300) ( 0.273, -0.226, 0.310) ( 0.16, 0.12, 0.30) 254: oop ( 0.007, -0.003, 0.008) ( 0.003, 0.001, 0.003) ( 0.00, 0.00, 0.00) 254: vdw (-64.201, -17.920, -10.793) (-64.200, -17.919, -10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 48 (-143.091, -0.049, -281.337) (-143.058, 0.000, -281.292) ( 0.02, 0.24, 0.02) 254: bond (-177.596, -0.026, -223.783) (-177.591, 0.000, -223.752) ( 0.00, 0.07, 0.01) 254: angle ( -0.415, -0.016, -0.129) ( -0.410, 0.000, -0.115) ( 0.23, 0.03, 0.17) 254: torsion ( -0.352, -0.005, 0.101) ( -0.338, 0.000, 0.104) ( 0.48, 0.00, 0.03) 254: oop ( -0.013, -0.000, 0.006) ( -0.005, -0.000, 0.004) ( 0.01, 0.00, 0.00) 254: vdw ( 35.285, -0.002, -57.533) ( 35.285, 0.000, -57.532) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 49 ( 97.504, 27.266, 298.150) ( 97.544, 27.307, 298.201) ( 0.04, 0.15, 0.02) 254: bond ( 57.230, 74.008, 270.148) ( 57.253, 74.018, 270.176) ( 0.04, 0.01, 0.01) 254: angle ( 0.285, 0.145, -0.641) ( 0.299, 0.154, -0.629) ( 0.40, 0.13, 0.77) 254: torsion ( 0.285, -0.498, -0.291) ( 0.290, -0.487, -0.286) ( 0.15, 0.53, 0.15) 254: oop ( 0.008, -0.016, -0.005) ( 0.003, -0.007, 0.000) ( 0.00, 0.02, 0.00) 254: vdw ( 39.697, -46.373, 28.939) ( 39.698, -46.372, 28.940) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 50 (-186.980, 202.096, -156.771) (-186.928, 202.126, -156.738) ( 0.03, 0.02, 0.02) 254: bond (-168.105, 212.732, -92.784) (-168.078, 212.748, -92.764) ( 0.02, 0.01, 0.02) 254: angle ( -0.721, -0.152, -0.061) ( -0.706, -0.143, -0.050) ( 1.04, 0.14, 0.07) 254: torsion ( -0.231, 0.300, 0.267) ( -0.226, 0.310, 0.273) ( 0.12, 0.30, 0.16) 254: oop ( -0.003, 0.008, 0.007) ( 0.001, 0.003, 0.003) ( 0.00, 0.00, 0.00) 254: vdw (-17.920, -10.793, -64.201) (-17.919, -10.792, -64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 51 (-27.328, -298.242, -97.594) (-27.307, -298.201, -97.544) ( 0.08, 0.01, 0.05) 254: bond (-74.029, -270.205, -57.277) (-74.018, -270.176, -57.253) ( 0.01, 0.01, 0.04) 254: angle ( -0.163, 0.617, -0.313) ( -0.154, 0.629, -0.299) ( 0.14, 0.74, 0.44) 254: torsion ( 0.476, 0.281, -0.295) ( 0.487, 0.286, -0.290) ( 0.51, 0.14, 0.16) 254: oop ( 0.016, 0.005, -0.008) ( 0.007, -0.000, -0.003) ( 0.01, 0.00, 0.00) 254: vdw ( 46.371, -28.940, -39.700) ( 46.372, -28.940, -39.698) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 52 (156.695, -186.980, 202.096) (156.738, -186.928, 202.126) ( 0.03, 0.03, 0.02) 254: bond ( 92.745, -168.105, 212.732) ( 92.764, -168.078, 212.748) ( 0.02, 0.02, 0.01) 254: angle ( 0.038, -0.721, -0.152) ( 0.050, -0.706, -0.143) ( 0.04, 1.04, 0.14) 254: torsion ( -0.279, -0.231, 0.300) ( -0.273, -0.226, 0.310) ( 0.17, 0.12, 0.30) 254: oop ( -0.008, -0.003, 0.008) ( -0.003, 0.001, 0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 64.199, -17.920, -10.793) ( 64.200, -17.919, -10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 53 (298.150, 97.504, 27.266) (298.201, 97.544, 27.307) ( 0.02, 0.04, 0.15) 254: bond (270.148, 57.230, 74.008) (270.176, 57.253, 74.018) ( 0.01, 0.04, 0.01) 254: angle ( -0.641, 0.285, 0.145) ( -0.629, 0.299, 0.154) ( 0.77, 0.40, 0.13) 254: torsion ( -0.291, 0.285, -0.498) ( -0.286, 0.290, -0.487) ( 0.15, 0.15, 0.53) 254: oop ( -0.005, 0.008, -0.016) ( 0.000, 0.003, -0.007) ( 0.00, 0.00, 0.02) 254: vdw ( 28.939, 39.697, -46.373) ( 28.940, 39.698, -46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 54 ( -0.049, 281.242, 143.041) ( 0.000, 281.292, 143.058) ( 0.24, 0.02, 0.01) 254: bond ( -0.026, 223.722, 177.585) ( 0.000, 223.752, 177.591) ( 0.07, 0.01, 0.00) 254: angle ( -0.016, 0.102, 0.404) ( 0.000, 0.115, 0.410) ( 0.03, 0.14, 0.23) 254: torsion ( -0.005, -0.107, 0.325) ( 0.000, -0.104, 0.338) ( 0.00, 0.03, 0.44) 254: oop ( -0.000, -0.006, 0.012) ( -0.000, -0.004, 0.005) ( 0.00, 0.00, 0.01) 254: vdw ( -0.002, 57.531, -35.285) ( 0.000, 57.532, -35.285) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 55 (156.695, 186.884, 202.096) (156.738, 186.928, 202.126) ( 0.03, 0.02, 0.02) 254: bond ( 92.745, 168.051, 212.732) ( 92.764, 168.078, 212.748) ( 0.02, 0.02, 0.01) 254: angle ( 0.038, 0.692, -0.152) ( 0.050, 0.706, -0.143) ( 0.04, 0.99, 0.14) 254: torsion ( -0.279, 0.221, 0.300) ( -0.273, 0.226, 0.310) ( 0.17, 0.11, 0.30) 254: oop ( -0.008, 0.003, 0.008) ( -0.003, -0.001, 0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 64.199, 17.918, -10.793) ( 64.200, 17.919, -10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 56 (-156.771, 186.884, 202.096) (-156.738, 186.928, 202.126) ( 0.02, 0.02, 0.02) 254: bond (-92.784, 168.051, 212.732) (-92.764, 168.078, 212.748) ( 0.02, 0.02, 0.01) 254: angle ( -0.061, 0.692, -0.152) ( -0.050, 0.706, -0.143) ( 0.07, 0.99, 0.14) 254: torsion ( 0.267, 0.221, 0.300) ( 0.273, 0.226, 0.310) ( 0.16, 0.11, 0.30) 254: oop ( 0.007, 0.003, 0.008) ( 0.003, -0.001, 0.003) ( 0.00, 0.00, 0.00) 254: vdw (-64.201, 17.918, -10.793) (-64.200, 17.919, -10.792) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 57 (186.884, 202.096, -156.771) (186.928, 202.126, -156.738) ( 0.02, 0.02, 0.02) 254: bond (168.051, 212.732, -92.784) (168.078, 212.748, -92.764) ( 0.02, 0.01, 0.02) 254: angle ( 0.692, -0.152, -0.061) ( 0.706, -0.143, -0.050) ( 0.99, 0.14, 0.07) 254: torsion ( 0.221, 0.300, 0.267) ( 0.226, 0.310, 0.273) ( 0.11, 0.30, 0.16) 254: oop ( 0.003, 0.008, 0.007) ( -0.001, 0.003, 0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 17.918, -10.793, -64.201) ( 17.919, -10.792, -64.200) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 58 (-298.242, -97.594, 27.266) (-298.201, -97.544, 27.307) ( 0.01, 0.05, 0.15) 254: bond (-270.205, -57.277, 74.008) (-270.176, -57.253, 74.018) ( 0.01, 0.04, 0.01) 254: angle ( 0.617, -0.313, 0.145) ( 0.629, -0.299, 0.154) ( 0.74, 0.44, 0.13) 254: torsion ( 0.281, -0.295, -0.498) ( 0.286, -0.290, -0.487) ( 0.14, 0.16, 0.53) 254: oop ( 0.005, -0.008, -0.016) ( -0.000, -0.003, -0.007) ( 0.00, 0.00, 0.02) 254: vdw (-28.940, -39.700, -46.373) (-28.940, -39.698, -46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 59 (298.150, -97.594, 27.266) (298.201, -97.544, 27.307) ( 0.02, 0.05, 0.15) 254: bond (270.148, -57.277, 74.008) (270.176, -57.253, 74.018) ( 0.01, 0.04, 0.01) 254: angle ( -0.641, -0.313, 0.145) ( -0.629, -0.299, 0.154) ( 0.77, 0.44, 0.13) 254: torsion ( -0.291, -0.295, -0.498) ( -0.286, -0.290, -0.487) ( 0.15, 0.16, 0.53) 254: oop ( -0.005, -0.008, -0.016) ( 0.000, -0.003, -0.007) ( 0.00, 0.00, 0.02) 254: vdw ( 28.939, -39.700, -46.373) ( 28.940, -39.698, -46.372) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 60 ( -0.049, -281.337, 143.041) ( -0.000, -281.292, 143.058) ( 0.24, 0.02, 0.01) 254: bond ( -0.026, -223.783, 177.585) ( 0.000, -223.752, 177.591) ( 0.07, 0.01, 0.00) 254: angle ( -0.016, -0.129, 0.404) ( 0.000, -0.115, 0.410) ( 0.03, 0.17, 0.23) 254: torsion ( -0.005, 0.101, 0.325) ( -0.000, 0.104, 0.338) ( 0.00, 0.03, 0.44) 254: oop ( -0.000, 0.006, 0.012) ( -0.000, 0.004, 0.005) ( 0.00, 0.00, 0.01) 254: vdw ( -0.002, -57.533, -35.285) ( 0.000, -57.532, -35.285) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 18 # gradients 254: ok 19 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (187.442, -80.908, -3.672) (187.494, -80.846, -3.733) ( 0.03, 0.08, 1.66) 254: bond ( 9.662, 34.813, -0.219) ( 9.689, 34.853, -0.218) ( 0.28, 0.11, 0.01) 254: angle (232.233, -14.543, 3.991) (232.257, -14.524, 3.990) ( 0.01, 0.13, 0.02) 254: torsion ( 0.100, 0.118, -8.823) ( 0.100, 0.118, -8.791) ( 0.00, 0.00, 0.36) 254: oop ( -0.001, -0.003, 0.894) ( -0.002, -0.003, 0.802) ( 0.00, 0.00, 8.27) 254: vdw (-54.552, -101.293, 0.486) (-54.551, -101.291, 0.485) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-396.877, -26.391, 23.123) (-396.817, -26.325, 23.254) ( 0.01, 0.25, 0.57) 254: bond (-22.671, -12.760, -0.575) (-22.641, -12.714, -0.575) ( 0.13, 0.36, 0.02) 254: angle (-380.611, 45.357, 7.464) (-380.585, 45.376, 7.462) ( 0.01, 0.04, 0.02) 254: torsion ( 0.072, -0.068, 18.770) ( 0.072, -0.068, 18.797) ( 0.00, 0.00, 0.14) 254: oop ( -0.004, 0.005, -0.395) ( -0.003, 0.004, -0.290) ( 0.00, 0.00, 4.18) 254: vdw ( 6.338, -58.925, -2.140) ( 6.339, -58.923, -2.140) ( 0.02, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (197.838, -192.492, -5.916) (197.900, -192.435, -5.979) ( 0.03, 0.03, 1.07) 254: bond ( 83.338, -37.167, -0.934) ( 83.375, -37.127, -0.933) ( 0.04, 0.11, 0.03) 254: angle ( 68.449, -156.536, -1.508) ( 68.474, -156.520, -1.506) ( 0.04, 0.01, 0.11) 254: torsion ( 0.111, 0.566, -3.763) ( 0.111, 0.566, -3.744) ( 0.00, 0.00, 0.52) 254: oop ( 0.003, 0.002, 0.314) ( 0.002, 0.002, 0.229) ( 0.00, 0.00, 2.66) 254: vdw ( 45.937, 0.643, -0.025) ( 45.938, 0.643, -0.025) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (131.699, 142.709, -5.048) (131.773, 142.790, -4.744) ( 0.06, 0.06, 6.03) 254: bond (-39.328, -45.304, 0.742) (-39.285, -45.259, 0.742) ( 0.11, 0.10, 0.03) 254: angle (108.956, 100.526, -1.495) (108.984, 100.556, -1.495) ( 0.03, 0.03, 0.00) 254: torsion ( -0.239, 0.068, 2.388) ( -0.239, 0.068, 2.407) ( 0.00, 0.00, 0.80) 254: oop ( -0.011, -0.015, -1.688) ( -0.009, -0.013, -1.402) ( 0.00, 0.00, 16.93) 254: vdw ( 62.322, 87.435, -4.995) ( 62.324, 87.438, -4.995) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 ( 79.288, 88.861, -5.940) ( 79.309, 88.889, -6.055) ( 0.03, 0.03, 1.93) 254: bond ( 34.251, 59.094, -0.793) ( 34.260, 59.119, -0.793) ( 0.02, 0.04, 0.02) 254: angle (-11.405, 6.603, 0.172) (-11.396, 6.606, 0.172) ( 0.08, 0.05, 0.00) 254: torsion ( 0.029, 0.039, 4.126) ( 0.029, 0.039, 4.129) ( 0.00, 0.00, 0.09) 254: oop ( 0.005, 0.007, 0.781) ( 0.005, 0.006, 0.663) ( 0.00, 0.00, 9.23) 254: vdw ( 56.408, 23.118, -10.227) ( 56.411, 23.119, -10.227) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-182.051, 166.429, -7.813) (-181.992, 166.491, -7.960) ( 0.03, 0.04, 1.88) 254: bond (-39.410, 95.923, -0.988) (-39.370, 95.959, -0.988) ( 0.10, 0.04, 0.02) 254: angle (-109.318, 15.492, 3.850) (-109.301, 15.517, 3.853) ( 0.02, 0.16, 0.06) 254: torsion ( -0.591, -0.333, -11.745) ( -0.591, -0.333, -11.729) ( 0.00, 0.00, 0.13) 254: oop ( 0.000, 0.002, 1.006) ( 0.000, 0.002, 0.841) ( 0.00, 0.00, 16.39) 254: vdw (-32.732, 55.345, 0.063) (-32.732, 55.346, 0.063) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( 82.852, -217.208, -27.768) ( 82.921, -217.147, -27.253) ( 0.08, 0.03, 1.85) 254: bond (103.129, -71.073, 0.420) (103.176, -71.040, 0.419) ( 0.05, 0.05, 0.01) 254: angle ( 14.800, -138.621, -2.387) ( 14.823, -138.595, -2.387) ( 0.16, 0.02, 0.04) 254: torsion ( 0.228, -0.269, -19.945) ( 0.228, -0.269, -19.923) ( 0.00, 0.00, 0.11) 254: oop ( 0.013, 0.003, -3.052) ( 0.011, 0.003, -2.558) ( 0.00, 0.00, 16.19) 254: vdw (-35.317, -7.247, -2.804) (-35.316, -7.246, -2.804) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-107.292, -13.736, -1.515) (-107.256, -13.723, -1.763) ( 0.03, 0.09, 16.41) 254: bond (-79.086, 1.050, -0.525) (-79.052, 1.050, -0.525) ( 0.04, 0.03, 0.02) 254: angle ( 0.265, 19.773, -0.294) ( 0.265, 19.784, -0.294) ( 0.00, 0.06, 0.01) 254: torsion ( -0.008, 0.006, 1.224) ( -0.008, 0.006, 1.228) ( 0.00, 0.00, 0.33) 254: oop ( -0.009, -0.002, 1.346) ( -0.007, -0.001, 1.094) ( 0.00, 0.00, 18.72) 254: vdw (-28.454, -34.564, -3.267) (-28.453, -34.562, -3.267) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-172.086, 17.247, -12.385) (-172.027, 17.299, -12.279) ( 0.03, 0.30, 0.86) 254: bond (-38.220, -32.802, -1.579) (-38.178, -32.765, -1.579) ( 0.11, 0.11, 0.04) 254: angle (-138.590, 57.157, 0.565) (-138.571, 57.174, 0.567) ( 0.01, 0.03, 0.11) 254: torsion ( 0.161, 0.048, -10.926) ( 0.161, 0.048, -10.901) ( 0.00, 0.00, 0.23) 254: oop ( 0.004, 0.008, -0.407) ( 0.003, 0.007, -0.328) ( 0.00, 0.00, 3.21) 254: vdw ( 4.559, -7.165, -0.038) ( 4.559, -7.165, -0.038) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (169.232, 18.020, 5.417) (169.270, 18.061, 5.349) ( 0.02, 0.22, 1.25) 254: bond (-55.806, 6.948, 0.149) (-55.784, 6.982, 0.149) ( 0.04, 0.49, 0.01) 254: angle (244.355, 31.756, -3.708) (244.371, 31.761, -3.707) ( 0.01, 0.02, 0.04) 254: torsion ( 0.150, -0.110, 9.934) ( 0.150, -0.110, 9.943) ( 0.00, 0.00, 0.09) 254: oop ( 0.003, -0.006, 0.421) ( 0.002, -0.005, 0.343) ( 0.00, 0.00, 3.31) 254: vdw (-19.470, -20.567, -1.378) (-19.470, -20.567, -1.379) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (-12.606, 65.636, -0.581) (-12.553, 65.688, -0.517) ( 0.42, 0.08, 3.76) 254: bond ( 5.458, 28.969, 0.248) ( 5.496, 29.002, 0.248) ( 0.70, 0.11, 0.01) 254: angle (-33.346, 33.342, 0.302) (-33.332, 33.362, 0.303) ( 0.04, 0.06, 0.03) 254: torsion ( -0.008, 0.046, -1.233) ( -0.008, 0.046, -1.216) ( 0.00, 0.00, 1.42) 254: oop ( -0.001, 0.004, -0.208) ( -0.001, 0.003, -0.162) ( 0.00, 0.00, 0.95) 254: vdw ( 15.292, 3.276, 0.310) ( 15.292, 3.276, 0.310) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (121.758, 22.361, 13.948) (121.796, 22.396, 13.907) ( 0.03, 0.16, 0.29) 254: bond (132.390, 45.819, 4.435) (132.415, 45.839, 4.454) ( 0.02, 0.04, 0.41) 254: angle ( -2.089, -2.617, -0.059) ( -2.077, -2.605, -0.050) ( 0.56, 0.48, 0.05) 254: torsion ( -0.309, 0.397, 9.614) ( -0.309, 0.399, 9.619) ( 0.01, 0.06, 0.06) 254: oop ( -0.003, -0.005, 0.279) ( -0.002, -0.004, 0.205) ( 0.00, 0.00, 2.04) 254: vdw ( -8.231, -21.233, -0.321) ( -8.231, -21.233, -0.321) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-99.503, -29.622, 1.878) (-99.465, -29.589, 1.866) ( 0.04, 0.11, 0.61) 254: bond (-143.684, -2.026, 1.231) (-143.658, -2.008, 1.249) ( 0.02, 0.90, 1.49) 254: angle ( 5.465, 2.016, -2.523) ( 5.477, 2.029, -2.514) ( 0.21, 0.64, 0.34) 254: torsion ( 0.033, -0.108, 2.900) ( 0.033, -0.108, 2.903) ( 0.00, 0.00, 0.10) 254: oop ( 0.003, 0.000, 0.231) ( 0.002, 0.000, 0.189) ( 0.00, 0.00, 0.95) 254: vdw ( 38.681, -29.504, 0.040) ( 38.682, -29.503, 0.039) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 ( 37.582, -74.411, 1.587) ( 37.616, -74.375, 1.573) ( 0.09, 0.05, 0.86) 254: bond ( 71.123, -130.243, 0.491) ( 71.143, -130.219, 0.509) ( 0.03, 0.02, 0.90) 254: angle ( -1.091, 8.131, -4.336) ( -1.079, 8.143, -4.327) ( 1.15, 0.15, 0.20) 254: torsion ( 0.265, 0.210, 5.207) ( 0.264, 0.209, 5.209) ( 0.02, 0.00, 0.03) 254: oop ( -0.001, 0.003, 0.268) ( -0.001, 0.002, 0.226) ( 0.00, 0.00, 1.12) 254: vdw (-32.714, 47.488, -0.043) (-32.712, 47.489, -0.043) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( 3.920, 23.932, 2.654) ( 3.926, 23.948, 2.615) ( 0.15, 0.07, 1.49) 254: bond ( -0.122, 26.490, 0.583) ( -0.122, 26.505, 0.584) ( 0.00, 0.06, 0.01) 254: angle ( -1.585, 0.003, -0.446) ( -1.579, 0.003, -0.446) ( 0.35, 0.00, 0.01) 254: torsion ( 0.009, -0.051, 2.319) ( 0.009, -0.051, 2.323) ( 0.00, 0.00, 0.18) 254: oop ( 0.000, -0.004, 0.190) ( 0.000, -0.003, 0.147) ( 0.00, 0.00, 0.83) 254: vdw ( 5.617, -2.505, 0.007) ( 5.617, -2.505, 0.007) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-12.966, -57.351, 0.642) (-12.962, -57.337, 0.645) ( 0.03, 0.02, 0.16) 254: bond ( -0.882, -53.411, -2.255) ( -0.883, -53.397, -2.256) ( 0.02, 0.03, 0.01) 254: angle ( 3.775, -0.050, -0.306) ( 3.779, -0.050, -0.304) ( 0.10, 0.00, 0.06) 254: torsion ( -0.013, -0.150, 3.548) ( -0.013, -0.150, 3.549) ( 0.00, 0.00, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-15.846, -3.741, -0.345) (-15.846, -3.741, -0.345) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-29.773, 13.507, 42.731) (-29.768, 13.511, 42.741) ( 0.02, 0.03, 0.02) 254: bond (-23.962, 15.581, 42.293) (-23.959, 15.583, 42.302) ( 0.01, 0.01, 0.02) 254: angle ( -0.566, -0.453, -0.154) ( -0.563, -0.450, -0.153) ( 0.15, 0.10, 0.01) 254: torsion ( -0.955, 2.888, -1.605) ( -0.955, 2.888, -1.605) ( 0.01, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.291, -4.509, 2.197) ( -4.291, -4.509, 2.197) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (-28.873, 10.784, -48.345) (-28.867, 10.788, -48.335) ( 0.02, 0.04, 0.02) 254: bond (-24.956, 20.128, -43.024) (-24.953, 20.130, -43.016) ( 0.01, 0.01, 0.02) 254: angle ( 0.068, -0.407, -0.231) ( 0.070, -0.404, -0.230) ( 0.02, 0.09, 0.02) 254: torsion ( 1.119, -3.172, -2.133) ( 1.119, -3.171, -2.133) ( 0.00, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.103, -5.766, -2.956) ( -5.103, -5.766, -2.956) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 ( 23.298, 35.268, -45.037) ( 23.302, 35.270, -45.025) ( 0.02, 0.01, 0.03) 254: bond ( 17.270, 13.747, -49.394) ( 17.271, 13.748, -49.382) ( 0.01, 0.00, 0.02) 254: angle ( 0.687, -0.016, 0.237) ( 0.690, -0.014, 0.237) ( 0.23, 0.00, 0.01) 254: torsion ( -0.153, 23.491, 6.486) ( -0.153, 23.491, 6.486) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 5.494, -1.954, -2.366) ( 5.494, -1.954, -2.366) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 ( 49.465, -47.655, -7.150) ( 49.470, -47.643, -7.148) ( 0.01, 0.03, 0.03) 254: bond ( 19.007, -49.046, 12.655) ( 19.008, -49.035, 12.656) ( 0.01, 0.02, 0.00) 254: angle ( -5.104, -1.936, 0.159) ( -5.101, -1.936, 0.161) ( 0.06, 0.03, 0.03) 254: torsion ( -0.199, -6.185, -23.664) ( -0.199, -6.185, -23.664) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 35.760, 9.512, 3.699) ( 35.761, 9.512, 3.699) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 ( 39.119, 10.672, 60.557) ( 39.124, 10.680, 60.564) ( 0.01, 0.07, 0.01) 254: bond ( 18.322, 36.440, 36.440) ( 18.324, 36.446, 36.446) ( 0.01, 0.02, 0.02) 254: angle ( -1.098, 0.558, -0.010) ( -1.095, 0.559, -0.009) ( 0.30, 0.07, 0.00) 254: torsion ( 0.352, -17.349, 17.172) ( 0.352, -17.349, 17.172) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 21.543, -8.977, 6.954) ( 21.543, -8.977, 6.954) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (-35.374, 34.391, 58.122) (-35.364, 34.395, 58.128) ( 0.03, 0.01, 0.01) 254: bond (-43.660, -2.568, 33.124) (-43.652, -2.568, 33.129) ( 0.02, 0.01, 0.01) 254: angle ( 0.091, -2.152, -0.047) ( 0.092, -2.149, -0.046) ( 0.01, 0.16, 0.01) 254: torsion ( 11.893, 6.719, 16.191) ( 11.893, 6.719, 16.191) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.697, 32.392, 8.854) ( -3.697, 32.393, 8.854) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 (-10.234, 81.938, 8.082) (-10.225, 81.948, 8.084) ( 0.08, 0.01, 0.03) 254: bond ( 33.600, 40.238, 17.334) ( 33.605, 40.245, 17.335) ( 0.01, 0.02, 0.01) 254: angle ( 5.938, -5.064, 0.237) ( 5.940, -5.063, 0.239) ( 0.04, 0.03, 0.04) 254: torsion ( 6.440, 3.280, -20.101) ( 6.440, 3.280, -20.101) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-56.212, 43.484, 10.612) (-56.211, 43.485, 10.612) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 (-36.608, 7.264, -47.950) (-36.605, 7.267, -47.938) ( 0.01, 0.05, 0.03) 254: bond (-16.227, 10.670, -49.969) (-16.226, 10.670, -49.957) ( 0.01, 0.00, 0.02) 254: angle ( -0.546, 1.436, 0.484) ( -0.544, 1.439, 0.484) ( 0.11, 0.22, 0.02) 254: torsion (-18.485, -10.083, 3.851) (-18.486, -10.083, 3.851) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.349, 5.242, -2.315) ( -1.349, 5.242, -2.315) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 20 # gradients 254: ok 21 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-153.373, -69.971, 55.658) (-153.332, -69.935, 55.694) ( 0.03, 0.05, 0.07) 254: bond (-118.434, -27.963, 117.758) (-118.409, -27.941, 117.778) ( 0.02, 0.08, 0.02) 254: angle ( -7.105, -15.058, -47.730) ( -7.090, -15.044, -47.715) ( 0.21, 0.09, 0.03) 254: torsion (-10.090, -9.856, -13.607) (-10.088, -9.856, -13.605) ( 0.01, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-17.745, -17.094, -0.764) (-17.744, -17.094, -0.764) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 ( -6.942, 13.081, 20.181) ( -6.908, 13.113, 20.212) ( 0.49, 0.24, 0.15) 254: bond ( 93.283, -23.271, -11.981) ( 93.302, -23.251, -11.964) ( 0.02, 0.09, 0.15) 254: angle (-28.134, 11.848, 54.240) (-28.122, 11.859, 54.251) ( 0.04, 0.09, 0.02) 254: torsion (-32.898, 14.666, 8.358) (-32.896, 14.667, 8.361) ( 0.00, 0.01, 0.03) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-39.193, 9.837, -30.436) (-39.192, 9.837, -30.436) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 22.168, 8.186, -22.647) ( 22.201, 8.219, -22.615) ( 0.15, 0.41, 0.14) 254: bond ( 34.130, -72.157, 129.290) ( 34.151, -72.139, 129.309) ( 0.06, 0.03, 0.01) 254: angle ( -1.163, 40.049, -91.327) ( -1.152, 40.060, -91.316) ( 0.98, 0.03, 0.01) 254: torsion ( 9.461, 19.306, -33.473) ( 9.462, 19.309, -33.471) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-20.260, 20.988, -27.137) (-20.259, 20.989, -27.136) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 19.565, -52.815, 20.846) ( 19.599, -52.756, 21.009) ( 0.17, 0.11, 0.78) 254: bond ( 48.823, 84.861, -70.006) ( 48.843, 84.880, -69.987) ( 0.04, 0.02, 0.03) 254: angle ( -5.522, -77.195, 86.084) ( -5.510, -77.183, 86.093) ( 0.22, 0.02, 0.01) 254: torsion (-12.453, -18.900, -6.728) (-12.453, -18.900, -6.726) ( 0.00, 0.00, 0.03) 254: oop ( -0.003, -0.171, -0.864) ( -0.003, -0.144, -0.731) ( 0.00, 0.46, 11.49) 254: vdw (-11.280, -41.409, 12.360) (-11.279, -41.408, 12.360) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-74.504, 88.704, -49.250) (-74.460, 88.676, -49.561) ( 0.06, 0.03, 0.63) 254: bond (-49.325, 74.332, -9.055) (-49.296, 74.356, -9.054) ( 0.06, 0.03, 0.02) 254: angle (-37.756, 68.135, -81.092) (-37.744, 68.149, -81.087) ( 0.03, 0.02, 0.01) 254: torsion ( 9.057, -4.154, 31.762) ( 9.058, -4.154, 31.771) ( 0.00, 0.02, 0.03) 254: oop ( -0.002, 0.412, 2.075) ( -0.002, 0.345, 1.748) ( 0.00, 2.74, 15.78) 254: vdw ( 3.522, -50.020, 7.060) ( 3.523, -50.020, 7.060) ( 0.04, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 33.890, -79.244, 24.868) ( 33.942, -79.224, 24.727) ( 0.15, 0.03, 0.56) 254: bond ( -0.246, 24.304, -2.518) ( -0.216, 24.326, -2.517) ( 0.72, 0.09, 0.05) 254: angle ( 17.675, -45.694, 20.609) ( 17.684, -45.680, 20.610) ( 0.05, 0.03, 0.01) 254: torsion ( -2.010, -7.625, -12.160) ( -2.010, -7.624, -12.145) ( 0.01, 0.01, 0.13) 254: oop ( -0.087, 0.129, 1.010) ( -0.074, 0.111, 0.851) ( 0.12, 0.23, 15.68) 254: vdw ( 18.558, -50.358, 17.928) ( 18.559, -50.356, 17.928) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( -6.479, 29.201, -24.347) ( -6.453, 29.250, -24.212) ( 0.41, 0.17, 0.56) 254: bond (-86.066, 82.942, 2.549) (-86.047, 82.962, 2.567) ( 0.02, 0.02, 0.71) 254: angle ( 65.451, -10.781, -20.767) ( 65.463, -10.769, -20.759) ( 0.02, 0.11, 0.04) 254: torsion ( 4.651, -11.128, -21.212) ( 4.652, -11.128, -21.208) ( 0.02, 0.01, 0.02) 254: oop ( 0.039, -0.090, -0.588) ( 0.033, -0.075, -0.483) ( 0.03, 0.14, 6.18) 254: vdw ( 9.445, -31.740, 15.670) ( 9.446, -31.740, 15.671) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-50.352, -14.112, 19.394) (-50.316, -14.075, 19.428) ( 0.07, 0.26, 0.18) 254: bond ( -4.083, -21.222, -134.545) ( -4.063, -21.202, -134.526) ( 0.49, 0.09, 0.01) 254: angle (-64.949, 37.155, 145.170) (-64.935, 37.168, 145.182) ( 0.02, 0.04, 0.01) 254: torsion (-11.505, -5.383, 9.994) (-11.504, -5.381, 9.996) ( 0.01, 0.04, 0.03) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 30.185, -24.662, -1.225) ( 30.186, -24.661, -1.224) ( 0.00, 0.00, 0.02) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 ( 19.680, 49.353, 29.199) ( 19.719, 49.388, 29.233) ( 0.20, 0.07, 0.12) 254: bond (-47.975, 73.579, 64.884) (-47.954, 73.599, 64.903) ( 0.05, 0.03, 0.03) 254: angle ( 40.405, 20.098, -37.865) ( 40.420, 20.112, -37.852) ( 0.04, 0.07, 0.03) 254: torsion ( -6.307, -21.411, -22.443) ( -6.305, -21.409, -22.440) ( 0.03, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 33.556, -22.914, 24.622) ( 33.557, -22.913, 24.623) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 15.692, 0.042, -50.217) ( 15.721, 0.074, -50.188) ( 0.19, 0.14, 0.06) 254: bond ( 17.964, 117.602, -67.197) ( 17.982, 117.622, -67.178) ( 0.10, 0.02, 0.03) 254: angle (-40.242, -75.341, 51.453) (-40.231, -75.329, 51.464) ( 0.03, 0.02, 0.02) 254: torsion ( 5.566, -24.566, -27.007) ( 5.566, -24.565, -27.008) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 32.404, -17.654, -7.466) ( 32.405, -17.653, -7.466) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (-21.940, 1.245, -20.594) (-21.909, 1.274, -20.565) ( 0.15, 2.34, 0.14) 254: bond (-151.842, -12.958, -56.391) (-151.822, -12.939, -56.372) ( 0.01, 0.14, 0.03) 254: angle (120.348, 37.858, 32.910) (120.361, 37.868, 32.920) ( 0.01, 0.03, 0.03) 254: torsion ( -1.948, 4.264, 6.229) ( -1.949, 4.263, 6.228) ( 0.03, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 11.501, -27.918, -3.341) ( 11.501, -27.917, -3.341) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-34.430, 10.516, 70.214) (-34.397, 10.554, 70.245) ( 0.10, 0.36, 0.04) 254: bond (-90.912, 117.802, 125.753) (-90.893, 117.824, 125.773) ( 0.02, 0.02, 0.02) 254: angle ( 31.272, -134.270, -78.723) ( 31.285, -134.256, -78.712) ( 0.04, 0.01, 0.01) 254: torsion ( 10.256, 30.515, 9.567) ( 10.257, 30.516, 9.568) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 14.953, -3.531, 13.616) ( 14.954, -3.530, 13.617) ( 0.00, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 ( 1.059, 33.761, -43.609) ( 1.093, 33.795, -43.577) ( 3.21, 0.10, 0.07) 254: bond (132.862, -184.020, -37.633) (132.882, -184.000, -37.613) ( 0.02, 0.01, 0.05) 254: angle (-133.412, 190.940, 17.812) (-133.399, 190.953, 17.823) ( 0.01, 0.01, 0.06) 254: torsion ( -3.930, 23.835, -14.652) ( -3.929, 23.837, -14.651) ( 0.02, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 5.539, 3.005, -9.136) ( 5.539, 3.005, -9.136) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 ( -9.168, -5.874, -3.147) ( -9.136, -5.841, -3.117) ( 0.35, 0.56, 0.96) 254: bond (-159.132, 160.549, -91.198) (-159.112, 160.569, -91.179) ( 0.01, 0.01, 0.02) 254: angle (137.891, -183.388, 64.718) (137.902, -183.377, 64.727) ( 0.01, 0.01, 0.01) 254: torsion ( 6.365, 0.090, 14.498) ( 6.366, 0.091, 14.500) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 5.708, 16.876, 8.835) ( 5.708, 16.877, 8.835) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 (-22.747, -7.527, -2.453) (-22.715, -7.494, -2.424) ( 0.14, 0.44, 1.22) 254: bond ( 76.533, -190.531, 43.415) ( 76.553, -190.512, 43.434) ( 0.03, 0.01, 0.04) 254: angle (-103.016, 195.873, -65.251) (-103.005, 195.885, -65.243) ( 0.01, 0.01, 0.01) 254: torsion ( -9.947, 8.312, -0.300) ( -9.946, 8.313, -0.297) ( 0.01, 0.01, 0.06) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 13.682, -21.181, 19.682) ( 13.683, -21.180, 19.683) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 ( -8.745, 0.117, 51.246) ( -8.712, 0.149, 51.276) ( 0.37, 0.37, 0.06) 254: bond (-75.225, 151.138, -61.792) (-75.205, 151.157, -61.773) ( 0.03, 0.01, 0.03) 254: angle ( 62.075, -144.854, 68.861) ( 62.087, -144.843, 68.870) ( 0.02, 0.01, 0.01) 254: torsion ( 7.495, -5.083, 45.088) ( 7.495, -5.082, 45.090) ( 0.00, 0.02, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.090, -1.084, -0.911) ( -3.090, -1.084, -0.911) ( 0.01, 0.04, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 ( 25.523, 1.799, -0.167) ( 25.556, 1.834, -0.136) ( 0.13, 1.97, 0.52) 254: bond (-18.136, -82.738, 108.231) (-18.117, -82.716, 108.249) ( 0.11, 0.03, 0.02) 254: angle ( 17.917, 69.072, -92.513) ( 17.930, 69.084, -92.502) ( 0.07, 0.02, 0.01) 254: torsion ( 17.104, 12.259, -16.637) ( 17.105, 12.260, -16.635) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 8.639, 3.206, 0.752) ( 8.639, 3.206, 0.752) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 ( -1.860, -10.840, 31.164) ( -1.831, -10.812, 31.192) ( 1.59, 0.26, 0.09) 254: bond ( 59.323, -67.341, -22.835) ( 59.341, -67.322, -22.816) ( 0.03, 0.03, 0.08) 254: angle (-73.315, 25.387, 34.174) (-73.305, 25.396, 34.183) ( 0.01, 0.03, 0.03) 254: torsion ( 17.309, 4.534, 25.099) ( 17.310, 4.534, 25.101) ( 0.00, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.178, 26.580, -5.275) ( -5.177, 26.580, -5.275) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (-12.415, -17.062, -31.821) (-12.385, -17.032, -31.792) ( 0.24, 0.17, 0.09) 254: bond (-106.875, -6.292, -41.131) (-106.856, -6.274, -41.113) ( 0.02, 0.29, 0.04) 254: angle ( 56.550, -8.060, 40.383) ( 56.559, -8.051, 40.392) ( 0.02, 0.12, 0.02) 254: torsion ( 10.529, -5.637, -24.337) ( 10.530, -5.635, -24.336) ( 0.00, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 27.381, 2.927, -6.735) ( 27.381, 2.928, -6.735) ( 0.00, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (-21.251, 7.931, 21.259) (-21.222, 7.962, 21.288) ( 0.14, 0.38, 0.14) 254: bond ( 23.687, -49.666, 112.171) ( 23.705, -49.648, 112.191) ( 0.08, 0.04, 0.02) 254: angle ( 5.209, 34.652, -63.076) ( 5.219, 34.662, -63.067) ( 0.18, 0.03, 0.01) 254: torsion (-21.776, -6.463, 0.221) (-21.775, -6.461, 0.222) ( 0.01, 0.02, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-28.372, 29.408, -28.058) (-28.371, 29.410, -28.058) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 ( 24.080, -69.418, -20.760) ( 24.120, -69.382, -20.722) ( 0.16, 0.05, 0.18) 254: bond (135.254, -12.790, -16.925) (135.277, -12.771, -16.904) ( 0.02, 0.15, 0.12) 254: angle (-108.854, -51.139, -21.709) (-108.838, -51.125, -21.694) ( 0.01, 0.03, 0.07) 254: torsion (-15.523, -14.689, 20.072) (-15.522, -14.687, 20.073) ( 0.01, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 13.203, 9.200, -2.198) ( 13.203, 9.201, -2.198) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 ( 5.068, -3.362, 12.702) ( 5.098, -3.332, 12.731) ( 0.59, 0.88, 0.24) 254: bond ( 36.092, -60.119, -133.482) ( 36.109, -60.101, -133.463) ( 0.05, 0.03, 0.01) 254: angle (-21.003, 23.373, 98.749) (-20.993, 23.382, 98.758) ( 0.05, 0.04, 0.01) 254: torsion ( 4.464, -11.648, 6.174) ( 4.466, -11.646, 6.175) ( 0.03, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-14.485, 45.031, 41.261) (-14.484, 45.032, 41.261) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( -1.075, 35.661, -27.232) ( -1.043, 35.694, -27.200) ( 3.02, 0.09, 0.12) 254: bond (-59.491, -98.316, 109.543) (-59.471, -98.297, 109.562) ( 0.03, 0.02, 0.02) 254: angle ( 78.747, 50.708, -103.048) ( 78.758, 50.719, -103.037) ( 0.01, 0.02, 0.01) 254: torsion ( -2.005, 47.425, -9.989) ( -2.004, 47.427, -9.987) ( 0.04, 0.00, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-18.327, 35.843, -23.738) (-18.326, 35.844, -23.737) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 (-21.460, 28.710, 24.501) (-21.427, 28.742, 24.531) ( 0.16, 0.11, 0.13) 254: bond (149.796, -96.925, -10.303) (149.815, -96.904, -10.285) ( 0.01, 0.02, 0.18) 254: angle (-115.617, 81.993, 71.317) (-115.605, 82.004, 71.327) ( 0.01, 0.01, 0.01) 254: torsion (-28.846, 17.622, 6.086) (-28.845, 17.623, 6.089) ( 0.00, 0.01, 0.04) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-26.793, 26.019, -42.600) (-26.792, 26.020, -42.599) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 4.159, -42.273, -21.119) ( 4.195, -42.234, -21.085) ( 0.87, 0.09, 0.16) 254: bond (-129.458, -4.452, 152.042) (-129.438, -4.431, 152.061) ( 0.02, 0.47, 0.01) 254: angle (127.747, -66.671, -101.924) (127.761, -66.657, -101.913) ( 0.01, 0.02, 0.01) 254: torsion ( 15.740, -13.912, -52.855) ( 15.741, -13.910, -52.852) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -9.870, 42.763, -18.381) ( -9.869, 42.764, -18.381) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 ( 54.252, 2.864, 38.220) ( 54.289, 2.927, 38.404) ( 0.07, 2.20, 0.48) 254: bond (116.744, 8.696, -58.261) (116.765, 8.717, -58.240) ( 0.02, 0.24, 0.04) 254: angle (-44.442, -21.743, 72.828) (-44.426, -21.729, 72.841) ( 0.04, 0.07, 0.02) 254: torsion ( -9.082, -1.376, 27.007) ( -9.081, -1.373, 27.010) ( 0.01, 0.19, 0.01) 254: oop ( 0.010, -0.147, -0.875) ( 0.007, -0.123, -0.729) ( 0.00, 0.36, 12.86) 254: vdw ( -8.978, 17.434, -2.478) ( -8.977, 17.435, -2.478) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 ( -4.690, -0.608, -12.611) ( -4.661, -0.578, -12.582) ( 0.63, 1.82, 0.24) 254: bond ( 38.557, -66.637, -124.644) ( 38.575, -66.619, -124.625) ( 0.05, 0.03, 0.02) 254: angle (-16.684, 68.990, 73.148) (-16.674, 69.000, 73.157) ( 0.06, 0.01, 0.01) 254: torsion (-18.479, -14.465, 0.974) (-18.478, -14.463, 0.974) ( 0.01, 0.01, 0.04) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.085, 11.503, 37.911) ( -8.084, 11.504, 37.911) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 (141.957, 62.584, 24.275) (141.982, 62.594, 24.302) ( 0.02, 0.02, 0.11) 254: bond (187.677, 96.952, 6.946) (187.700, 96.958, 6.963) ( 0.01, 0.01, 0.25) 254: angle (-29.664, 0.677, 50.012) (-29.662, 0.680, 50.021) ( 0.01, 0.21, 0.02) 254: torsion ( -0.245, -22.328, -25.408) ( -0.245, -22.328, -25.407) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-15.811, -12.717, -7.275) (-15.810, -12.717, -7.275) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( 44.583, -7.909, -27.026) ( 44.587, -7.903, -27.014) ( 0.01, 0.08, 0.04) 254: bond ( 3.150, -7.872, -16.573) ( 3.150, -7.869, -16.562) ( 0.01, 0.03, 0.07) 254: angle ( -2.086, -9.527, 4.128) ( -2.083, -9.524, 4.129) ( 0.15, 0.03, 0.02) 254: torsion ( 36.936, 6.164, 4.096) ( 36.937, 6.164, 4.096) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 6.582, 3.325, -18.678) ( 6.583, 3.326, -18.677) ( 0.01, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 (-15.966, 20.151, 24.480) (-15.961, 20.156, 24.493) ( 0.03, 0.03, 0.05) 254: bond ( -7.259, 10.575, 35.044) ( -7.259, 10.576, 35.056) ( 0.00, 0.01, 0.03) 254: angle ( -6.563, 7.386, -3.588) ( -6.559, 7.389, -3.587) ( 0.05, 0.04, 0.01) 254: torsion (-23.887, 13.197, -8.927) (-23.886, 13.198, -8.927) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 21.742, -11.007, 1.952) ( 21.743, -11.006, 1.952) ( 0.01, 0.01, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 ( 28.424, 7.133, -42.440) ( 28.429, 7.138, -42.428) ( 0.02, 0.08, 0.03) 254: bond ( 3.220, -5.723, -17.457) ( 3.220, -5.722, -17.445) ( 0.01, 0.02, 0.07) 254: angle ( -2.774, 10.732, -4.033) ( -2.771, 10.735, -4.032) ( 0.12, 0.03, 0.01) 254: torsion ( 22.776, 30.753, -5.883) ( 22.777, 30.754, -5.883) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 5.202, -28.629, -15.067) ( 5.203, -28.628, -15.067) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 ( 94.571, 22.195, -55.139) ( 94.577, 22.200, -55.127) ( 0.01, 0.02, 0.02) 254: bond ( 6.823, -15.057, -30.941) ( 6.824, -15.054, -30.931) ( 0.01, 0.02, 0.03) 254: angle ( 14.968, 11.099, -2.101) ( 14.971, 11.102, -2.101) ( 0.02, 0.03, 0.03) 254: torsion ( 41.437, 24.281, -2.676) ( 41.437, 24.281, -2.676) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 31.343, 1.871, -19.420) ( 31.344, 1.872, -19.420) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 (-25.643, 6.133, -28.436) (-25.635, 6.137, -28.427) ( 0.03, 0.06, 0.03) 254: bond (-20.780, 4.981, -23.834) (-20.774, 4.982, -23.826) ( 0.03, 0.00, 0.03) 254: angle ( 17.263, -7.511, -16.624) ( 17.264, -7.508, -16.622) ( 0.01, 0.04, 0.01) 254: torsion (-14.457, 3.681, 13.374) (-14.456, 3.681, 13.374) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -7.669, 4.981, -1.353) ( -7.669, 4.982, -1.352) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 ( 21.404, 9.267, 51.371) ( 21.409, 9.272, 51.382) ( 0.03, 0.06, 0.02) 254: bond (-15.107, 13.559, 27.613) (-15.105, 13.561, 27.622) ( 0.02, 0.02, 0.03) 254: angle ( 27.787, -5.154, 17.724) ( 27.789, -5.151, 17.725) ( 0.01, 0.05, 0.01) 254: torsion ( 30.926, -5.029, 19.380) ( 30.927, -5.029, 19.381) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-22.202, 5.891, -13.347) (-22.202, 5.891, -13.346) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 ( 16.406, -38.434, -25.285) ( 16.411, -38.430, -25.273) ( 0.03, 0.01, 0.05) 254: bond ( 9.915, -9.714, -27.660) ( 9.916, -9.713, -27.649) ( 0.01, 0.01, 0.04) 254: angle ( 12.153, -6.961, 6.804) ( 12.156, -6.959, 6.804) ( 0.02, 0.03, 0.01) 254: torsion ( 0.506, -26.055, 9.335) ( 0.506, -26.055, 9.335) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.167, 4.296, -13.763) ( -6.166, 4.297, -13.763) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 ( -0.427, 41.149, -10.757) ( -0.423, 41.163, -10.754) ( 0.18, 0.03, 0.03) 254: bond ( -6.965, 35.011, -3.353) ( -6.964, 35.024, -3.353) ( 0.01, 0.04, 0.00) 254: angle ( 10.464, 3.532, 15.148) ( 10.467, 3.532, 15.151) ( 0.03, 0.01, 0.02) 254: torsion ( 7.604, 0.364, -11.995) ( 7.604, 0.364, -11.994) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-11.531, 2.243, -10.558) (-11.530, 2.243, -10.558) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 ( -8.832, 62.541, 30.027) ( -8.828, 62.544, 30.039) ( 0.05, 0.00, 0.04) 254: bond (-10.934, 3.951, 30.250) (-10.933, 3.951, 30.262) ( 0.01, 0.00, 0.04) 254: angle ( -6.824, 19.150, -4.966) ( -6.821, 19.152, -4.965) ( 0.04, 0.01, 0.01) 254: torsion ( -0.136, 45.168, -5.947) ( -0.136, 45.168, -5.947) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 9.062, -5.728, 10.689) ( 9.063, -5.727, 10.689) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 ( 3.940, -39.525, 28.389) ( 3.944, -39.511, 28.392) ( 0.12, 0.03, 0.01) 254: bond ( 5.472, -27.716, -2.162) ( 5.472, -27.702, -2.162) ( 0.01, 0.05, 0.00) 254: angle ( 28.211, 6.634, -13.586) ( 28.215, 6.634, -13.584) ( 0.01, 0.00, 0.02) 254: torsion (-11.974, -5.473, 39.824) (-11.973, -5.473, 39.824) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-17.770, -12.970, 4.314) (-17.769, -12.970, 4.314) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 (-11.360, 9.849, -23.675) (-11.361, 9.882, -23.568) ( 0.01, 0.33, 0.45) 254: bond ( -1.097, 20.505, -3.627) ( -1.097, 20.519, -3.627) ( 0.01, 0.07, 0.01) 254: angle (-28.664, -1.892, -2.033) (-28.661, -1.892, -2.033) ( 0.01, 0.00, 0.00) 254: torsion ( 2.012, -3.156, -18.466) ( 2.012, -3.156, -18.462) ( 0.00, 0.00, 0.02) 254: oop ( 0.044, -0.132, -0.759) ( 0.038, -0.114, -0.657) ( 0.02, 0.23, 7.78) 254: vdw ( 16.346, -5.476, 1.211) ( 16.347, -5.476, 1.211) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 40 ( 36.308, 6.034, 29.955) ( 36.314, 6.038, 29.964) ( 0.02, 0.07, 0.03) 254: bond ( 18.767, -10.397, 28.481) ( 18.771, -10.396, 28.490) ( 0.02, 0.01, 0.03) 254: angle ( -1.700, 6.406, 3.457) ( -1.698, 6.409, 3.458) ( 0.11, 0.05, 0.02) 254: torsion ( 16.501, 18.716, -4.044) ( 16.502, 18.716, -4.043) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 2.739, -8.691, 2.060) ( 2.739, -8.691, 2.060) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 41 ( -3.055, -21.255, -46.663) ( -3.049, -21.250, -46.653) ( 0.18, 0.02, 0.02) 254: bond ( 18.481, -11.472, -29.819) ( 18.484, -11.471, -29.810) ( 0.02, 0.01, 0.03) 254: angle ( 2.922, 21.454, -6.444) ( 2.924, 21.456, -6.443) ( 0.07, 0.01, 0.01) 254: torsion (-22.485, -13.659, -8.686) (-22.484, -13.659, -8.686) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.973, -17.577, -1.714) ( -1.973, -17.577, -1.714) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 42 (-17.819, 36.412, 43.503) (-17.816, 36.415, 43.517) ( 0.02, 0.01, 0.03) 254: bond ( -7.195, -1.910, 37.298) ( -7.195, -1.910, 37.312) ( 0.00, 0.01, 0.04) 254: angle (-15.370, 18.468, -2.018) (-15.367, 18.471, -2.018) ( 0.02, 0.01, 0.00) 254: torsion ( -1.188, 41.884, 1.915) ( -1.188, 41.884, 1.915) ( 0.03, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 5.934, -22.031, 6.308) ( 5.934, -22.030, 6.308) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 43 ( 4.327, -52.811, 8.132) ( 4.332, -52.800, 8.135) ( 0.11, 0.02, 0.03) 254: bond ( 15.124, -34.548, -10.635) ( 15.126, -34.538, -10.634) ( 0.01, 0.03, 0.01) 254: angle ( 2.229, 8.850, -25.573) ( 2.232, 8.850, -25.570) ( 0.11, 0.01, 0.01) 254: torsion (-14.616, -17.750, 36.861) (-14.616, -17.750, 36.861) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.589, -9.362, 7.479) ( 1.590, -9.362, 7.479) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 44 (-18.443, 12.453, 56.330) (-18.440, 12.458, 56.341) ( 0.02, 0.04, 0.02) 254: bond ( 14.507, 17.400, 38.285) ( 14.508, 17.402, 38.296) ( 0.01, 0.01, 0.03) 254: angle (-18.110, 22.092, -3.181) (-18.108, 22.095, -3.180) ( 0.01, 0.01, 0.02) 254: torsion (-21.422, -19.062, 16.778) (-21.422, -19.062, 16.778) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 6.582, -7.977, 4.447) ( 6.582, -7.977, 4.447) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 45 ( 50.114, 12.768, -16.909) ( 50.124, 12.772, -16.904) ( 0.02, 0.03, 0.03) 254: bond ( 28.379, -12.263, -17.863) ( 28.388, -12.261, -17.859) ( 0.03, 0.01, 0.02) 254: angle ( -7.540, -4.218, -9.092) ( -7.539, -4.216, -9.090) ( 0.01, 0.06, 0.02) 254: torsion ( 15.446, 29.140, 4.546) ( 15.446, 29.140, 4.545) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 13.829, 0.108, 5.500) ( 13.830, 0.108, 5.500) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 46 ( 17.258, -74.872, -16.201) ( 17.261, -74.865, -16.188) ( 0.02, 0.01, 0.08) 254: bond ( 2.525, -6.603, -19.217) ( 2.525, -6.602, -19.205) ( 0.00, 0.02, 0.06) 254: angle ( -4.537, 11.154, -4.432) ( -4.534, 11.157, -4.431) ( 0.07, 0.03, 0.01) 254: torsion ( 6.819, -47.163, 17.109) ( 6.819, -47.162, 17.108) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 12.449, -32.261, -9.660) ( 12.450, -32.259, -9.660) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 47 ( -2.346, 17.106, 26.971) ( -2.338, 17.112, 26.979) ( 0.34, 0.04, 0.03) 254: bond (-24.673, 23.429, 25.665) (-24.669, 23.434, 25.670) ( 0.02, 0.02, 0.02) 254: angle (-11.688, -14.038, 1.582) (-11.686, -14.036, 1.584) ( 0.02, 0.02, 0.12) 254: torsion ( 5.673, -11.971, 16.379) ( 5.673, -11.971, 16.379) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 28.343, 19.686, -16.655) ( 28.344, 19.686, -16.654) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 48 ( 3.916, -11.977, -70.615) ( 3.923, -11.969, -70.610) ( 0.19, 0.06, 0.01) 254: bond ( 23.281, -24.777, -18.786) ( 23.286, -24.772, -18.783) ( 0.02, 0.02, 0.02) 254: angle ( -3.238, 3.945, -9.218) ( -3.236, 3.946, -9.216) ( 0.06, 0.04, 0.02) 254: torsion (-16.522, 17.754, -43.899) (-16.523, 17.754, -43.899) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.395, -8.898, 1.288) ( 0.396, -8.898, 1.288) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 49 ( 32.071, -33.304, 25.059) ( 32.075, -33.300, 25.072) ( 0.01, 0.01, 0.05) 254: bond ( 1.999, -6.832, 29.850) ( 1.998, -6.831, 29.863) ( 0.00, 0.01, 0.04) 254: angle ( -7.301, -5.703, -0.816) ( -7.298, -5.700, -0.815) ( 0.04, 0.05, 0.01) 254: torsion ( 29.488, -23.263, -7.295) ( 29.488, -23.262, -7.295) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 7.885, 2.492, 3.320) ( 7.886, 2.493, 3.320) ( 0.00, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 50 (-42.456, 36.563, 2.121) (-42.451, 36.570, 2.129) ( 0.01, 0.02, 0.40) 254: bond (-12.892, 19.154, 24.179) (-12.890, 19.158, 24.186) ( 0.01, 0.02, 0.03) 254: angle ( 2.102, -1.369, 2.203) ( 2.104, -1.367, 2.204) ( 0.12, 0.14, 0.05) 254: torsion (-23.627, 17.730, -26.636) (-23.626, 17.730, -26.636) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.039, 1.048, 2.375) ( -8.039, 1.049, 2.375) ( 0.00, 0.04, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 51 ( 52.952, -9.860, -46.709) ( 52.958, -9.855, -46.698) ( 0.01, 0.05, 0.02) 254: bond (-15.220, 19.983, -45.230) (-15.219, 19.985, -45.219) ( 0.01, 0.01, 0.02) 254: angle (-20.705, -20.061, -1.898) (-20.702, -20.058, -1.898) ( 0.01, 0.01, 0.03) 254: torsion ( 29.317, -32.429, -24.199) ( 29.317, -32.428, -24.198) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 59.560, 22.646, 24.617) ( 59.562, 22.646, 24.618) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 52 (-30.119, 0.338, 61.014) (-30.115, 0.342, 61.026) ( 0.01, 0.13, 0.02) 254: bond ( 12.586, -9.382, 34.918) ( 12.587, -9.382, 34.929) ( 0.01, 0.01, 0.03) 254: angle ( -6.602, 16.545, 6.822) ( -6.600, 16.547, 6.823) ( 0.04, 0.01, 0.01) 254: torsion (-29.059, 7.019, 12.357) (-29.059, 7.019, 12.357) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -7.043, -13.843, 6.917) ( -7.043, -13.842, 6.917) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 53 ( 33.764, -28.975, -6.678) ( 33.769, -28.966, -6.671) ( 0.02, 0.03, 0.11) 254: bond ( 10.870, -19.294, -17.724) ( 10.872, -19.288, -17.719) ( 0.02, 0.03, 0.03) 254: angle (-11.286, -8.512, 2.339) (-11.283, -8.510, 2.340) ( 0.02, 0.02, 0.06) 254: torsion ( 26.667, 8.579, 7.023) ( 26.667, 8.580, 7.023) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 7.513, -9.748, 1.685) ( 7.513, -9.748, 1.685) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 54 (-47.852, -9.022, -44.500) (-47.849, -9.018, -44.486) ( 0.01, 0.05, 0.03) 254: bond ( 2.526, -0.643, -28.750) ( 2.526, -0.643, -28.736) ( 0.00, 0.01, 0.05) 254: angle ( -0.268, -2.711, 0.037) ( -0.265, -2.707, 0.037) ( 0.08, 0.13, 0.00) 254: torsion (-50.211, -9.373, -4.203) (-50.210, -9.372, -4.203) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.100, 3.705, -11.584) ( 0.101, 3.705, -11.584) ( 0.00, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 55 (-38.239, -5.705, -32.015) (-38.226, -5.702, -32.012) ( 0.03, 0.06, 0.01) 254: bond (-46.113, -4.032, -13.586) (-46.100, -4.032, -13.585) ( 0.03, 0.00, 0.01) 254: angle ( 3.509, -32.715, -2.200) ( 3.509, -32.712, -2.198) ( 0.00, 0.01, 0.09) 254: torsion ( 3.705, 6.365, -14.463) ( 3.705, 6.365, -14.463) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.660, 24.677, -1.765) ( 0.660, 24.678, -1.765) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 56 (-20.074, -19.534, 52.018) (-20.072, -19.531, 52.032) ( 0.01, 0.02, 0.03) 254: bond ( 1.302, 8.678, 40.215) ( 1.302, 8.678, 40.229) ( 0.01, 0.01, 0.03) 254: angle ( 9.027, -24.582, 5.010) ( 9.029, -24.580, 5.010) ( 0.02, 0.01, 0.00) 254: torsion (-17.002, -12.013, 3.142) (-17.002, -12.013, 3.142) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-13.401, 8.383, 3.651) (-13.401, 8.383, 3.651) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 57 ( 26.460, 29.842, -4.295) ( 26.464, 29.852, -4.290) ( 0.02, 0.03, 0.12) 254: bond ( 11.126, 23.554, -14.467) ( 11.128, 23.563, -14.464) ( 0.02, 0.04, 0.02) 254: angle ( 12.472, -8.642, -4.482) ( 12.474, -8.641, -4.480) ( 0.02, 0.01, 0.04) 254: torsion ( 11.289, 3.498, 14.382) ( 11.289, 3.498, 14.382) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.427, 11.433, 0.272) ( -8.427, 11.433, 0.272) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 58 ( 17.909, -40.158, -26.723) ( 17.915, -40.148, -26.721) ( 0.04, 0.02, 0.01) 254: bond ( 25.086, -34.130, -7.983) ( 25.091, -34.121, -7.983) ( 0.02, 0.03, 0.00) 254: angle (-20.491, -12.612, -10.496) (-20.489, -12.611, -10.494) ( 0.01, 0.01, 0.02) 254: torsion ( 3.136, 4.478, -9.283) ( 3.136, 4.478, -9.283) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 10.178, 2.107, 1.039) ( 10.178, 2.107, 1.039) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 59 ( 7.352, 34.910, -17.396) ( 7.357, 34.920, -17.391) ( 0.07, 0.03, 0.02) 254: bond ( 14.463, 26.266, -13.205) ( 14.466, 26.275, -13.203) ( 0.02, 0.03, 0.02) 254: angle (-16.868, 2.403, -13.698) (-16.866, 2.403, -13.696) ( 0.01, 0.03, 0.01) 254: torsion ( -3.902, 6.026, 7.716) ( -3.902, 6.026, 7.716) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 13.658, 0.216, 1.791) ( 13.659, 0.216, 1.791) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 60 ( -8.554, -15.355, 43.314) ( -8.551, -15.353, 43.328) ( 0.03, 0.02, 0.03) 254: bond ( -0.868, 5.060, 34.888) ( -0.869, 5.060, 34.902) ( 0.01, 0.00, 0.04) 254: angle (-22.600, -6.248, 0.343) (-22.597, -6.246, 0.343) ( 0.01, 0.03, 0.00) 254: torsion ( 0.908, -12.282, 1.803) ( 0.908, -12.281, 1.803) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 14.006, -1.886, 6.280) ( 14.007, -1.886, 6.280) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 61 (-51.991, 5.602, -4.126) (-51.979, 5.605, -4.121) ( 0.02, 0.06, 0.10) 254: bond (-42.778, -10.304, -17.569) (-42.767, -10.304, -17.567) ( 0.03, 0.00, 0.01) 254: angle ( -4.630, -20.181, 23.103) ( -4.629, -20.179, 23.105) ( 0.01, 0.01, 0.01) 254: torsion ( -7.164, 17.092, 7.415) ( -7.164, 17.092, 7.415) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 2.580, 18.995, -17.074) ( 2.580, 18.996, -17.074) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 62 (-21.495, 33.412, -10.092) (-21.491, 33.426, -10.089) ( 0.02, 0.04, 0.03) 254: bond ( 3.985, 46.253, -1.556) ( 3.985, 46.266, -1.556) ( 0.00, 0.03, 0.01) 254: angle ( 13.192, -0.148, 29.385) ( 13.194, -0.148, 29.388) ( 0.01, 0.00, 0.01) 254: torsion ( 21.003, -1.921, -3.329) ( 21.003, -1.921, -3.329) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-59.674, -10.772, -34.592) (-59.672, -10.772, -34.591) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 63 ( 16.626, -30.317, -28.851) ( 16.633, -30.313, -28.844) ( 0.05, 0.01, 0.02) 254: bond ( 23.941, -13.747, -21.268) ( 23.948, -13.745, -21.263) ( 0.03, 0.01, 0.02) 254: angle ( 6.188, -6.431, 11.125) ( 6.189, -6.429, 11.127) ( 0.02, 0.03, 0.01) 254: torsion (-12.366, -15.028, -4.213) (-12.366, -15.027, -4.213) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.138, 4.889, -14.495) ( -1.138, 4.889, -14.495) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 64 (-22.104, -23.871, 24.818) (-22.091, -23.868, 24.822) ( 0.06, 0.01, 0.02) 254: bond (-40.965, -6.579, 9.892) (-40.953, -6.579, 9.892) ( 0.03, 0.00, 0.01) 254: angle ( -5.448, -19.724, -35.671) ( -5.448, -19.722, -35.669) ( 0.00, 0.01, 0.01) 254: torsion ( 4.240, -15.032, 7.554) ( 4.240, -15.031, 7.554) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 20.069, 17.464, 43.044) ( 20.070, 17.464, 43.045) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 65 ( 41.479, 2.856, 23.643) ( 41.485, 2.861, 23.652) ( 0.01, 0.17, 0.04) 254: bond ( 23.063, -17.194, 32.166) ( 23.067, -17.192, 32.174) ( 0.02, 0.01, 0.02) 254: angle ( 22.666, -18.218, -25.987) ( 22.668, -18.216, -25.986) ( 0.01, 0.01, 0.00) 254: torsion ( 12.123, 12.492, -2.017) ( 12.123, 12.492, -2.017) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-16.374, 25.776, 19.481) (-16.373, 25.777, 19.481) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 66 (-25.698, 36.326, -3.779) (-25.695, 36.340, -3.776) ( 0.01, 0.04, 0.08) 254: bond ( 6.331, 45.473, 1.240) ( 6.331, 45.487, 1.240) ( 0.00, 0.03, 0.02) 254: angle ( 15.181, -1.371, -27.218) ( 15.183, -1.371, -27.215) ( 0.01, 0.00, 0.01) 254: torsion (-14.786, 2.193, -4.961) (-14.786, 2.193, -4.961) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-32.424, -9.969, 27.160) (-32.423, -9.968, 27.160) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 67 ( 4.802, 42.782, -15.312) ( 4.806, 42.796, -15.309) ( 0.08, 0.03, 0.02) 254: bond ( -3.755, 36.643, -1.571) ( -3.755, 36.657, -1.571) ( 0.00, 0.04, 0.01) 254: angle ( 5.815, 1.377, 18.212) ( 5.818, 1.377, 18.214) ( 0.05, 0.00, 0.01) 254: torsion ( 4.474, -0.552, -23.574) ( 4.474, -0.552, -23.573) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.731, 5.314, -8.379) ( -1.731, 5.314, -8.379) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 68 ( 18.600, -41.214, -25.758) ( 18.605, -41.210, -25.746) ( 0.03, 0.01, 0.05) 254: bond ( 9.516, -9.512, -29.381) ( 9.517, -9.511, -29.370) ( 0.01, 0.01, 0.04) 254: angle ( 10.913, -9.288, 6.544) ( 10.916, -9.286, 6.544) ( 0.03, 0.02, 0.01) 254: torsion ( 3.658, -33.517, 12.039) ( 3.658, -33.516, 12.039) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.487, 11.103, -14.960) ( -5.487, 11.103, -14.960) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 69 ( 24.242, 10.836, 42.437) ( 24.248, 10.842, 42.448) ( 0.02, 0.06, 0.02) 254: bond (-19.615, 22.847, 35.171) (-19.613, 22.851, 35.179) ( 0.01, 0.01, 0.02) 254: angle ( 7.226, -17.693, 15.520) ( 7.229, -17.691, 15.521) ( 0.03, 0.01, 0.01) 254: torsion ( 38.219, -14.554, 30.761) ( 38.219, -14.554, 30.762) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.588, 20.236, -39.015) ( -1.586, 20.237, -39.014) ( 0.07, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 70 (-41.118, 22.843, -11.862) (-41.111, 22.847, -11.852) ( 0.02, 0.02, 0.08) 254: bond (-18.980, 5.841, -25.923) (-18.975, 5.841, -25.914) ( 0.02, 0.01, 0.03) 254: angle ( 2.186, -11.955, -4.297) ( 2.188, -11.952, -4.296) ( 0.08, 0.02, 0.02) 254: torsion (-23.335, 16.633, 20.836) (-23.334, 16.633, 20.836) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.990, 12.324, -2.478) ( -0.989, 12.325, -2.478) ( 0.05, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 71 (-22.526, -19.580, 14.759) (-22.514, -19.576, 14.763) ( 0.05, 0.02, 0.03) 254: bond (-32.343, -13.094, 11.917) (-32.332, -13.092, 11.919) ( 0.03, 0.01, 0.01) 254: angle ( -3.695, -21.026, -33.117) ( -3.694, -21.024, -33.115) ( 0.01, 0.01, 0.01) 254: torsion ( 2.069, -3.141, 2.162) ( 2.069, -3.141, 2.162) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 11.442, 17.681, 33.797) ( 11.443, 17.681, 33.797) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 72 ( 28.513, -2.885, 23.663) ( 28.521, -2.883, 23.672) ( 0.03, 0.10, 0.04) 254: bond ( 26.477, -7.603, 29.522) ( 26.483, -7.603, 29.530) ( 0.02, 0.00, 0.02) 254: angle ( 23.889, -8.494, -23.613) ( 23.890, -8.492, -23.612) ( 0.01, 0.02, 0.00) 254: torsion ( 3.479, 5.766, -1.636) ( 3.479, 5.767, -1.636) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-25.332, 7.445, 19.389) (-25.331, 7.445, 19.390) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 73 (-17.606, 34.717, -4.281) (-17.603, 34.731, -4.278) ( 0.02, 0.04, 0.08) 254: bond ( -4.935, 45.959, -3.462) ( -4.935, 45.973, -3.463) ( 0.00, 0.03, 0.00) 254: angle ( 15.380, -0.530, -28.957) ( 15.382, -0.530, -28.955) ( 0.01, 0.00, 0.01) 254: torsion ( -3.445, -0.437, -0.896) ( -3.445, -0.437, -0.896) ( 0.02, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-24.606, -10.275, 29.035) (-24.605, -10.275, 29.036) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 74 (-49.166, -29.527, -81.473) (-49.157, -29.524, -81.458) ( 0.02, 0.01, 0.02) 254: bond (-44.679, -30.815, -66.485) (-44.673, -30.812, -66.471) ( 0.01, 0.01, 0.02) 254: angle ( 32.405, 13.263, -27.929) ( 32.406, 13.263, -27.927) ( 0.01, 0.00, 0.01) 254: torsion ( 0.186, -0.363, 0.043) ( 0.186, -0.363, 0.043) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-37.078, -11.611, 12.897) (-37.076, -11.611, 12.897) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 22 # gradients 254: ok 23 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (471.070, -527.809, 235.674) (471.068, -527.650, 235.807) ( 0.00, 0.03, 0.06) 254: bond (282.282, -338.460, 183.324) (282.308, -338.434, 183.329) ( 0.01, 0.01, 0.00) 254: angle (223.482, -162.837, 60.542) (223.499, -162.822, 60.544) ( 0.01, 0.01, 0.00) 254: torsion ( 6.514, -3.017, -7.176) ( 6.516, -3.014, -7.160) ( 0.02, 0.07, 0.23) 254: oop ( 0.299, -0.686, -0.777) ( 0.251, -0.571, -0.667) ( 1.43, 7.90, 8.55) 254: vdw (-41.507, -22.810, -0.239) (-41.506, -22.810, -0.239) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-37.678, 495.727, -93.390) (-37.527, 495.643, -93.793) ( 0.40, 0.02, 0.43) 254: bond (181.430, 258.233, -39.725) (181.458, 258.263, -39.721) ( 0.02, 0.01, 0.01) 254: angle (-176.405, 185.504, -106.176) (-176.388, 185.515, -106.173) ( 0.01, 0.01, 0.00) 254: torsion (-15.467, 17.518, 74.486) (-15.466, 17.520, 74.506) ( 0.01, 0.01, 0.03) 254: oop ( -0.647, 0.819, 2.707) ( -0.545, 0.691, 2.277) ( 6.61, 10.54, 15.86) 254: vdw (-26.588, 33.653, -24.682) (-26.586, 33.653, -24.682) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-70.571, 413.449, -6.654) (-70.580, 413.518, -6.036) ( 0.01, 0.02, 9.28) 254: bond ( 24.585, 49.198, 0.771) ( 24.613, 49.244, 0.772) ( 0.12, 0.09, 0.05) 254: angle (-71.834, 356.155, -23.113) (-71.810, 356.171, -23.113) ( 0.03, 0.00, 0.00) 254: torsion ( -9.725, 14.444, 21.224) ( -9.725, 14.444, 21.230) ( 0.00, 0.00, 0.03) 254: oop ( 0.353, -0.045, -3.367) ( 0.290, -0.039, -2.757) ( 2.19, 0.03, 18.12) 254: vdw (-13.950, -6.302, -2.168) (-13.949, -6.301, -2.168) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 67.296, 345.733, -116.832) ( 67.465, 345.534, -117.404) ( 0.25, 0.06, 0.49) 254: bond ( 20.962, 334.056, -140.328) ( 20.991, 334.095, -140.317) ( 0.14, 0.01, 0.01) 254: angle ( 51.638, 24.695, -7.235) ( 51.658, 24.709, -7.233) ( 0.04, 0.06, 0.04) 254: torsion ( -1.442, 10.041, 17.530) ( -1.441, 10.045, 17.545) ( 0.04, 0.04, 0.09) 254: oop ( -0.714, 1.530, 3.590) ( -0.594, 1.273, 2.990) ( 8.56, 16.80, 16.72) 254: vdw ( -3.149, -24.589, 9.611) ( -3.149, -24.588, 9.611) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-63.482, -7.984, -114.601) (-63.515, -7.856, -114.371) ( 0.05, 1.60, 0.20) 254: bond ( 1.526, 54.724, -23.955) ( 1.527, 54.752, -23.950) ( 0.02, 0.05, 0.02) 254: angle (-57.069, -2.678, -9.760) (-57.061, -2.678, -9.760) ( 0.02, 0.00, 0.00) 254: torsion ( 17.384, -39.452, -89.086) ( 17.384, -39.451, -89.083) ( 0.00, 0.00, 0.00) 254: oop ( 0.236, -0.536, -1.211) ( 0.194, -0.438, -0.990) ( 1.02, 5.24, 18.26) 254: vdw (-25.559, -20.041, 9.411) (-25.558, -20.041, 9.411) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-324.748, -239.216, 64.079) (-324.734, -239.089, 64.310) ( 0.00, 0.05, 0.36) 254: bond (-298.909, -143.325, 5.907) (-298.880, -143.297, 5.912) ( 0.01, 0.02, 0.09) 254: angle (-31.422, -42.662, 11.915) (-31.404, -42.647, 11.917) ( 0.06, 0.03, 0.02) 254: torsion ( -4.860, 10.627, 20.995) ( -4.860, 10.630, 21.019) ( 0.01, 0.02, 0.12) 254: oop ( 0.233, -0.526, -1.282) ( 0.197, -0.445, -1.083) ( 0.83, 4.26, 15.52) 254: vdw ( 10.211, -63.330, 26.545) ( 10.214, -63.330, 26.545) ( 0.03, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (-237.204, 105.160, -7.206) (-237.068, 105.024, -7.751) ( 0.06, 0.13, 7.56) 254: bond (-276.789, 151.802, -85.378) (-276.753, 151.831, -85.372) ( 0.01, 0.02, 0.01) 254: angle ( 62.975, -107.332, 44.691) ( 62.994, -107.313, 44.693) ( 0.03, 0.02, 0.00) 254: torsion ( -8.959, 9.460, 46.715) ( -8.959, 9.463, 46.741) ( 0.00, 0.03, 0.06) 254: oop ( -0.441, 0.992, 3.150) ( -0.362, 0.805, 2.572) ( 3.48, 18.47, 18.37) 254: vdw (-13.990, 50.238, -16.384) (-13.988, 50.238, -16.384) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 ( 12.867, 56.253, 18.035) ( 12.903, 56.306, 18.097) ( 0.28, 0.09, 0.34) 254: bond (-13.555, 39.305, -14.952) (-13.526, 39.328, -14.949) ( 0.21, 0.06, 0.02) 254: angle ( 3.621, 68.824, -22.507) ( 3.631, 68.838, -22.505) ( 0.29, 0.02, 0.01) 254: torsion ( -4.379, 10.462, 32.449) ( -4.379, 10.465, 32.470) ( 0.01, 0.02, 0.06) 254: oop ( 0.027, -0.075, -0.222) ( 0.023, -0.063, -0.185) ( 0.01, 0.09, 0.80) 254: vdw ( 27.152, -62.265, 23.266) ( 27.153, -62.263, 23.266) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (193.905, -249.150, 113.403) (193.722, -248.655, 114.753) ( 0.09, 0.20, 1.19) 254: bond (187.582, -203.883, 60.781) (187.623, -203.848, 60.788) ( 0.02, 0.02, 0.01) 254: angle (-37.635, -20.082, 257.774) (-37.622, -20.065, 257.781) ( 0.04, 0.08, 0.00) 254: torsion ( 45.057, -48.667, -185.202) ( 45.058, -48.665, -185.184) ( 0.00, 0.00, 0.01) 254: oop ( 1.431, -2.502, -7.557) ( 1.193, -2.061, -6.238) (16.62, 17.62, 17.45) 254: vdw ( -2.531, 25.983, -12.393) ( -2.531, 25.984, -12.393) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 13.498, 89.796, -22.035) ( 13.513, 89.914, -21.812) ( 0.11, 0.13, 1.01) 254: bond ( 14.795, -92.389, 33.934) ( 14.825, -92.367, 33.938) ( 0.20, 0.02, 0.01) 254: angle ( -4.599, 137.077, -47.403) ( -4.589, 137.093, -47.401) ( 0.21, 0.01, 0.00) 254: torsion ( -2.797, 6.187, 23.576) ( -2.796, 6.190, 23.595) ( 0.01, 0.05, 0.08) 254: oop ( 0.141, -0.424, -1.088) ( 0.116, -0.349, -0.891) ( 0.36, 3.18, 18.10) 254: vdw ( 5.957, 39.344, -31.053) ( 5.958, 39.346, -31.053) ( 0.02, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (-264.108, -25.417, -102.288) (-263.234, -26.150, -98.666) ( 0.33, 2.89, 3.54) 254: bond (-109.904, -40.910, -2.486) (-109.872, -40.882, -2.482) ( 0.03, 0.07, 0.17) 254: angle (-195.311, 7.602, -92.894) (-195.293, 7.618, -92.891) ( 0.01, 0.22, 0.00) 254: torsion ( 9.228, -10.620, 14.738) ( 9.228, -10.617, 14.754) ( 0.01, 0.02, 0.11) 254: oop ( -2.539, 2.424, -11.214) ( -1.716, 1.642, -7.615) (32.39, 32.27, 32.09) 254: vdw ( 34.418, 16.088, -10.432) ( 34.419, 16.089, -10.432) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-10.655, -5.268, 33.617) (-10.638, -5.289, 33.534) ( 0.16, 0.39, 0.25) 254: bond ( -0.711, -13.338, 5.041) ( -0.711, -13.325, 5.043) ( 0.01, 0.10, 0.04) 254: angle (-13.750, 0.175, -1.474) (-13.746, 0.175, -1.474) ( 0.03, 0.00, 0.01) 254: torsion ( -5.404, 15.649, 40.584) ( -5.404, 15.650, 40.588) ( 0.00, 0.00, 0.01) 254: oop ( -0.079, 0.232, 0.602) ( -0.067, 0.198, 0.513) ( 0.09, 0.80, 5.37) 254: vdw ( 9.289, -7.986, -11.136) ( 9.290, -7.986, -11.136) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 ( 66.427, -38.297, 22.022) ( 66.501, -38.326, 21.831) ( 0.11, 0.08, 0.86) 254: bond (-74.778, 101.329, -42.944) (-74.750, 101.356, -42.940) ( 0.04, 0.03, 0.01) 254: angle (122.829, -85.985, 43.246) (122.846, -85.974, 43.248) ( 0.01, 0.01, 0.00) 254: torsion ( -0.391, -1.784, -5.935) ( -0.390, -1.782, -5.918) ( 0.01, 0.11, 0.29) 254: oop ( -0.156, 0.401, 1.216) ( -0.129, 0.331, 1.004) ( 0.42, 2.81, 17.45) 254: vdw ( 18.922, -52.258, 26.438) ( 18.925, -52.258, 26.438) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 ( 3.198, 9.195, -4.323) ( 3.204, 9.206, -4.326) ( 0.19, 0.12, 0.07) 254: bond ( 0.210, 14.965, -4.957) ( 0.211, 14.979, -4.956) ( 0.00, 0.09, 0.03) 254: angle (-14.465, -0.365, -1.719) (-14.461, -0.365, -1.719) ( 0.03, 0.00, 0.00) 254: torsion ( 0.130, -0.332, -1.002) ( 0.130, -0.332, -0.997) ( 0.00, 0.02, 0.45) 254: oop ( -0.007, 0.018, 0.053) ( -0.006, 0.015, 0.044) ( 0.00, 0.01, 0.05) 254: vdw ( 17.329, -5.091, 3.301) ( 17.330, -5.090, 3.301) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( 17.048, -54.468, 19.577) ( 17.058, -54.447, 19.617) ( 0.06, 0.04, 0.21) 254: bond ( 38.909, -24.186, 13.345) ( 38.921, -24.181, 13.346) ( 0.03, 0.02, 0.01) 254: angle ( 26.991, 38.282, -9.354) ( 26.993, 38.285, -9.354) ( 0.01, 0.01, 0.00) 254: torsion ( 1.051, -2.570, -7.725) ( 1.051, -2.570, -7.722) ( 0.01, 0.01, 0.04) 254: oop ( 0.031, -0.077, -0.230) ( 0.026, -0.065, -0.195) ( 0.02, 0.09, 0.82) 254: vdw (-49.934, -65.917, 23.541) (-49.933, -65.916, 23.542) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (278.663, 5.967, 262.660) (278.204, 9.369, 253.668) ( 0.16, 57.02, 3.42) 254: bond (180.951, 70.243, 137.128) (180.987, 70.270, 137.138) ( 0.02, 0.04, 0.01) 254: angle ( 82.812, -42.011, 198.186) ( 82.825, -41.995, 198.196) ( 0.02, 0.04, 0.01) 254: torsion ( 18.286, -3.713, -101.874) ( 18.286, -3.712, -101.868) ( 0.00, 0.03, 0.01) 254: oop ( 1.318, -11.030, 27.670) ( 0.809, -7.673, 18.651) (38.58, 30.44, 32.59) 254: vdw ( -4.704, -7.522, 1.551) ( -4.704, -7.521, 1.551) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 ( 84.082, -105.411, -282.117) ( 84.177, -105.539, -282.518) ( 0.11, 0.12, 0.14) 254: bond (-11.281, -124.452, 87.022) (-11.271, -124.418, 87.044) ( 0.08, 0.03, 0.02) 254: angle (160.110, 8.205, -361.401) (160.118, 8.215, -361.388) ( 0.00, 0.11, 0.00) 254: torsion (-43.213, -25.781, 2.923) (-43.215, -25.781, 2.925) ( 0.01, 0.00, 0.06) 254: oop ( -0.470, 0.957, 2.442) ( -0.392, 0.785, 2.004) ( 3.68, 16.40, 17.91) 254: vdw (-21.064, 35.661, -13.103) (-21.063, 35.661, -13.103) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (-42.175, -64.158, 24.966) (-42.160, -64.153, 24.962) ( 0.04, 0.01, 0.02) 254: bond ( 13.563, -8.815, 6.597) ( 13.572, -8.811, 6.599) ( 0.07, 0.04, 0.03) 254: angle (-45.163, -62.520, 9.406) (-45.161, -62.517, 9.406) ( 0.00, 0.00, 0.00) 254: torsion ( -4.924, 6.352, 18.603) ( -4.924, 6.352, 18.606) ( 0.01, 0.01, 0.02) 254: oop ( -0.021, 0.027, 0.078) ( -0.018, 0.023, 0.068) ( 0.01, 0.01, 0.08) 254: vdw ( -5.630, 0.799, -9.718) ( -5.629, 0.800, -9.718) ( 0.02, 0.10, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 ( 67.449, -41.898, -169.761) ( 67.635, -43.654, -167.348) ( 0.28, 4.19, 1.42) 254: bond ( 97.077, -132.695, -184.757) ( 97.096, -132.670, -184.735) ( 0.02, 0.02, 0.01) 254: angle ( 16.888, 31.742, -3.539) ( 16.903, 31.755, -3.528) ( 0.09, 0.04, 0.33) 254: torsion (-24.977, 16.521, -6.853) (-24.976, 16.522, -6.851) ( 0.01, 0.01, 0.03) 254: oop ( -0.353, 5.757, -7.625) ( -0.205, 3.961, -5.249) ( 5.25, 31.20, 31.17) 254: vdw (-21.185, 36.777, 33.015) (-21.184, 36.777, 33.015) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (-42.589, 167.344, -55.096) (-43.025, 166.640, -51.907) ( 1.02, 0.42, 5.79) 254: bond (-111.773, 201.469, -32.121) (-111.748, 201.491, -32.102) ( 0.02, 0.01, 0.06) 254: angle ( 5.513, -26.008, -36.202) ( 5.527, -25.993, -36.190) ( 0.24, 0.06, 0.03) 254: torsion ( -0.714, -9.763, 60.169) ( -0.713, -9.761, 60.171) ( 0.06, 0.02, 0.00) 254: oop ( 1.667, 2.637, -9.518) ( 1.190, 1.892, -6.363) (28.60, 28.23, 33.15) 254: vdw ( 62.718, -0.991, -37.423) ( 62.719, -0.989, -37.423) ( 0.00, 0.21, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (-33.512, 23.063, -3.966) (-33.501, 23.071, -3.963) ( 0.03, 0.03, 0.09) 254: bond (-31.077, 20.848, -2.732) (-31.067, 20.852, -2.732) ( 0.03, 0.02, 0.00) 254: angle (-15.774, -26.485, -22.772) (-15.773, -26.483, -22.770) ( 0.01, 0.01, 0.01) 254: torsion ( 2.488, 4.108, 3.058) ( 2.488, 4.108, 3.058) ( 0.00, 0.00, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 10.851, 24.593, 18.480) ( 10.851, 24.594, 18.480) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 ( 10.571, -19.110, 36.550) ( 10.574, -19.105, 36.563) ( 0.03, 0.03, 0.04) 254: bond ( 2.555, -9.282, 29.641) ( 2.555, -9.281, 29.653) ( 0.00, 0.01, 0.04) 254: angle ( 9.571, -6.146, -2.748) ( 9.573, -6.143, -2.747) ( 0.03, 0.06, 0.01) 254: torsion ( 3.442, -10.375, -3.544) ( 3.442, -10.375, -3.544) ( 0.02, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.997, 6.693, 13.201) ( -4.997, 6.693, 13.201) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( 19.423, 7.923, 3.579) ( 19.832, 8.669, -1.831) ( 2.10, 9.42, 151.16) 254: bond ( 17.215, -149.752, 27.789) ( 17.241, -149.732, 27.807) ( 0.15, 0.01, 0.07) 254: angle ( 7.197, 94.829, -53.684) ( 7.210, 94.843, -53.673) ( 0.18, 0.02, 0.02) 254: torsion ( 1.418, 9.176, 1.378) ( 1.419, 9.178, 1.380) ( 0.04, 0.01, 0.12) 254: oop ( -0.780, -1.502, 11.549) ( -0.412, -0.793, 6.107) (28.72, 47.20, 47.12) 254: vdw ( -5.626, 55.172, 16.547) ( -5.626, 55.173, 16.548) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( 1.060, -29.258, -33.345) ( 1.064, -29.248, -33.337) ( 0.43, 0.03, 0.02) 254: bond ( -0.887, -26.615, -23.717) ( -0.888, -26.607, -23.711) ( 0.01, 0.03, 0.03) 254: angle (-18.258, -0.087, 0.779) (-18.254, -0.086, 0.780) ( 0.02, 0.01, 0.11) 254: torsion ( 5.322, -1.135, 1.073) ( 5.323, -1.134, 1.074) ( 0.01, 0.03, 0.04) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 14.883, -1.420, -11.480) ( 14.883, -1.420, -11.480) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 13.145, 18.444, 16.037) ( 11.955, 21.723, 11.825) ( 9.06, 17.78, 26.26) 254: bond (-94.231, 40.802, 117.863) (-94.212, 40.826, 117.885) ( 0.02, 0.06, 0.02) 254: angle ( 50.490, 12.886, -87.023) ( 50.504, 12.899, -87.011) ( 0.03, 0.10, 0.01) 254: torsion ( 8.637, -1.660, -3.054) ( 8.638, -1.660, -3.052) ( 0.01, 0.05, 0.05) 254: oop ( 2.615, -6.878, 9.013) ( 1.389, -3.638, 4.766) (46.87, 47.11, 47.12) 254: vdw ( 45.634, -26.705, -20.762) ( 45.635, -26.705, -20.762) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 ( 13.802, 5.192, 43.786) ( 13.807, 5.198, 43.798) ( 0.04, 0.10, 0.03) 254: bond ( 5.791, -12.703, 30.382) ( 5.791, -12.701, 30.394) ( 0.00, 0.01, 0.04) 254: angle (-16.364, 4.009, 4.793) (-16.360, 4.012, 4.793) ( 0.02, 0.05, 0.01) 254: torsion ( -7.294, 3.616, 2.901) ( -7.294, 3.617, 2.901) ( 0.00, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 31.670, 10.269, 5.710) ( 31.670, 10.270, 5.710) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 (-226.813, -179.102, 52.340) (-221.922, -183.663, 68.873) ( 2.16, 2.55, 31.59) 254: bond (-177.616, -107.417, -25.193) (-177.588, -107.390, -25.182) ( 0.02, 0.03, 0.04) 254: angle (-45.676, -83.275, 105.305) (-45.666, -83.266, 105.315) ( 0.02, 0.01, 0.01) 254: torsion ( -6.273, -6.860, 7.241) ( -6.273, -6.860, 7.242) ( 0.01, 0.01, 0.02) 254: oop (-10.324, 9.769, -35.043) ( -5.472, 5.171, -18.531) (47.00, 47.06, 47.12) 254: vdw ( 13.077, 8.681, 0.030) ( 13.077, 8.682, 0.030) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 (-14.391, 7.028, -45.466) (-14.387, 7.032, -45.454) ( 0.03, 0.07, 0.03) 254: bond ( -5.154, 13.357, -29.996) ( -5.153, 13.359, -29.984) ( 0.00, 0.02, 0.04) 254: angle ( -2.656, -8.614, -3.382) ( -2.652, -8.612, -3.381) ( 0.15, 0.02, 0.02) 254: torsion ( 3.759, -15.013, -7.335) ( 3.759, -15.012, -7.334) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.341, 17.298, -4.754) (-10.340, 17.298, -4.754) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( -5.253, 36.842, 25.540) ( -5.248, 36.851, 25.547) ( 0.08, 0.03, 0.03) 254: bond ( 2.097, 29.406, 25.397) ( 2.096, 29.414, 25.403) ( 0.01, 0.03, 0.02) 254: angle ( -4.491, -4.048, 5.055) ( -4.486, -4.047, 5.056) ( 0.09, 0.03, 0.03) 254: torsion ( -3.188, 5.779, -6.429) ( -3.188, 5.779, -6.429) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.330, 5.705, 1.517) ( 0.330, 5.705, 1.517) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 ( 35.113, -27.798, -3.420) ( 35.124, -27.791, -3.417) ( 0.03, 0.02, 0.09) 254: bond ( 33.176, -19.737, 2.161) ( 33.186, -19.733, 2.160) ( 0.03, 0.02, 0.01) 254: angle ( -3.776, -5.907, 4.053) ( -3.775, -5.904, 4.056) ( 0.02, 0.05, 0.07) 254: torsion ( 0.494, 0.030, -7.310) ( 0.494, 0.030, -7.309) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 5.219, -2.184, -2.324) ( 5.219, -2.184, -2.324) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-17.885, 11.410, -42.928) (-17.882, 11.416, -42.915) ( 0.02, 0.05, 0.03) 254: bond ( -3.438, 9.943, -31.450) ( -3.438, 9.945, -31.438) ( 0.00, 0.01, 0.04) 254: angle (-10.542, 1.949, 1.770) (-10.540, 1.953, 1.770) ( 0.02, 0.18, 0.02) 254: torsion (-10.875, 9.024, 4.044) (-10.875, 9.025, 4.044) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 6.970, -9.506, -17.292) ( 6.970, -9.506, -17.291) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 ( 95.444, 75.761, -29.268) ( 91.463, 76.420, -36.087) ( 4.17, 0.87, 23.30) 254: bond ( 79.454, 68.430, -40.021) ( 79.465, 68.438, -40.019) ( 0.01, 0.01, 0.01) 254: angle (-13.089, 3.160, -20.582) (-13.088, 3.162, -20.580) ( 0.01, 0.08, 0.01) 254: torsion ( 5.630, -0.653, 10.064) ( 5.630, -0.653, 10.064) ( 0.00, 0.01, 0.00) 254: oop ( 8.489, -1.389, 14.481) ( 4.494, -0.740, 7.658) (47.06, 46.69, 47.11) 254: vdw ( 14.961, 6.212, 6.789) ( 14.961, 6.213, 6.789) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 (189.454, -110.770, 76.092) (189.503, -110.748, 75.776) ( 0.03, 0.02, 0.42) 254: bond ( -2.952, -17.848, 0.346) ( -2.951, -17.815, 0.346) ( 0.03, 0.18, 0.00) 254: angle (134.063, -21.890, 16.377) (134.071, -21.890, 16.377) ( 0.01, 0.00, 0.00) 254: torsion ( -5.870, 1.961, 50.922) ( -5.870, 1.961, 50.924) ( 0.00, 0.00, 0.00) 254: oop ( -0.172, 0.057, 1.440) ( -0.135, 0.044, 1.123) ( 0.65, 0.07, 21.99) 254: vdw ( 64.385, -73.050, 7.007) ( 64.387, -73.048, 7.006) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 (-114.085, -436.257, -8.826) (-114.031, -436.226, -8.959) ( 0.05, 0.01, 1.51) 254: bond (-43.893, -58.475, -1.380) (-43.862, -58.455, -1.379) ( 0.07, 0.03, 0.06) 254: angle (-17.582, -340.487, 16.912) (-17.577, -340.471, 16.914) ( 0.03, 0.00, 0.01) 254: torsion ( 3.958, -1.494, -32.890) ( 3.958, -1.494, -32.888) ( 0.00, 0.00, 0.01) 254: oop ( -0.137, 0.049, 1.124) ( -0.120, 0.043, 0.986) ( 0.23, 0.03, 12.29) 254: vdw (-56.431, -35.849, 7.408) (-56.430, -35.849, 7.408) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 (-145.580, 277.134, -34.469) (-145.559, 277.149, -34.468) ( 0.01, 0.01, 0.00) 254: bond ( 58.595, 46.521, 3.695) ( 58.611, 46.531, 3.696) ( 0.03, 0.02, 0.01) 254: angle (-126.434, 161.100, -23.313) (-126.430, 161.103, -23.313) ( 0.00, 0.00, 0.00) 254: torsion ( 0.371, -0.199, -3.388) ( 0.371, -0.199, -3.387) ( 0.00, 0.00, 0.03) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-78.112, 69.712, -11.463) (-78.110, 69.713, -11.464) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 (-187.163, -27.561, 60.499) (-187.130, -27.545, 60.523) ( 0.02, 0.06, 0.04) 254: bond ( 15.389, -25.488, -12.365) ( 15.417, -25.476, -12.350) ( 0.18, 0.05, 0.12) 254: angle (-175.348, -38.674, 66.261) (-175.342, -38.668, 66.270) ( 0.00, 0.01, 0.01) 254: torsion (-31.171, 14.161, 5.951) (-31.172, 14.159, 5.949) ( 0.00, 0.02, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.967, 22.439, 0.652) ( 3.967, 22.440, 0.652) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 (133.139, 15.824, 156.200) (133.159, 15.846, 156.232) ( 0.02, 0.13, 0.02) 254: bond ( 1.917, -24.367, -14.029) ( 1.935, -24.350, -14.008) ( 0.91, 0.07, 0.15) 254: angle (106.617, 4.098, 150.618) (106.621, 4.105, 150.629) ( 0.00, 0.15, 0.01) 254: torsion ( 35.985, 22.581, 18.000) ( 35.983, 22.579, 17.999) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-11.380, 13.512, 1.610) (-11.380, 13.513, 1.610) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 ( 62.861, 47.608, -92.087) ( 62.865, 47.613, -92.079) ( 0.01, 0.01, 0.01) 254: bond (-24.635, 43.305, -50.958) (-24.634, 43.309, -50.951) ( 0.01, 0.01, 0.01) 254: angle ( 70.576, 3.937, -30.777) ( 70.578, 3.938, -30.776) ( 0.00, 0.01, 0.00) 254: torsion ( 21.159, -0.459, -10.620) ( 21.158, -0.459, -10.620) ( 0.00, 0.02, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.238, 0.825, 0.267) ( -4.238, 0.825, 0.267) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 ( 19.472, -70.371, 100.393) ( 19.480, -70.369, 100.400) ( 0.04, 0.00, 0.01) 254: bond (-48.674, -18.329, 48.688) (-48.668, -18.329, 48.694) ( 0.01, 0.00, 0.01) 254: angle ( 53.644, -47.965, 35.561) ( 53.645, -47.964, 35.563) ( 0.00, 0.00, 0.00) 254: torsion ( 18.791, -9.332, 15.268) ( 18.791, -9.332, 15.268) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.289, 5.255, 0.875) ( -4.289, 5.255, 0.875) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 40 ( -2.451, 37.590, -114.230) ( -2.447, 37.597, -114.225) ( 0.18, 0.02, 0.00) 254: bond ( 38.547, 52.842, -29.733) ( 38.551, 52.849, -29.730) ( 0.01, 0.01, 0.01) 254: angle (-35.447, -11.705, -66.772) (-35.446, -11.705, -66.769) ( 0.00, 0.00, 0.00) 254: torsion ( -8.694, -5.083, -20.310) ( -8.695, -5.083, -20.310) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.143, 1.536, 2.584) ( 3.143, 1.537, 2.584) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 41 (-53.959, -84.045, 72.544) (-53.957, -84.043, 72.557) ( 0.00, 0.00, 0.02) 254: bond ( 13.120, -10.545, 68.597) ( 13.120, -10.545, 68.610) ( 0.00, 0.00, 0.02) 254: angle (-50.377, -58.390, 0.659) (-50.376, -58.387, 0.659) ( 0.00, 0.00, 0.00) 254: torsion (-20.091, -17.796, 1.107) (-20.091, -17.796, 1.107) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.390, 2.685, 2.181) ( 3.390, 2.685, 2.181) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 42 ( 24.269, 89.804, -56.022) ( 24.271, 89.808, -56.009) ( 0.00, 0.01, 0.02) 254: bond ( 17.871, 1.513, -55.564) ( 17.872, 1.513, -55.552) ( 0.01, 0.02, 0.02) 254: angle ( -5.898, 61.600, -0.220) ( -5.897, 61.605, -0.220) ( 0.01, 0.01, 0.00) 254: torsion ( 11.599, 28.029, 4.495) ( 11.598, 28.029, 4.494) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.697, -1.338, -4.732) ( 0.697, -1.338, -4.732) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 24 # gradients 254: ok 25 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-105.174, -144.268, -14.253) (-105.139, -144.236, -14.237) ( 0.03, 0.02, 0.11) 254: bond ( 10.278, -33.838, -0.603) ( 10.305, -33.816, -0.603) ( 0.26, 0.06, 0.04) 254: angle (-116.113, -109.997, -17.391) (-116.106, -109.987, -17.391) ( 0.01, 0.01, 0.00) 254: torsion ( -0.359, -0.205, 3.663) ( -0.358, -0.205, 3.677) ( 0.01, 0.00, 0.39) 254: oop ( -0.004, -0.003, 0.036) ( -0.004, -0.003, 0.037) ( 0.00, 0.00, 0.00) 254: vdw ( 1.024, -0.225, 0.043) ( 1.024, -0.225, 0.043) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (153.731, -28.974, 22.362) (153.756, -28.939, 22.490) ( 0.02, 0.12, 0.57) 254: bond (164.318, -90.976, 13.729) (164.344, -90.949, 13.730) ( 0.02, 0.03, 0.01) 254: angle ( -2.354, 65.055, 3.163) ( -2.344, 65.069, 3.163) ( 0.43, 0.02, 0.01) 254: torsion ( -0.759, -0.446, 6.049) ( -0.759, -0.446, 6.069) ( 0.02, 0.00, 0.32) 254: oop ( 0.070, 0.034, -0.590) ( 0.057, 0.028, -0.483) ( 0.09, 0.02, 6.34) 254: vdw ( -7.543, -2.641, 0.012) ( -7.543, -2.641, 0.012) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-196.107, 57.985, 24.397) (-196.048, 58.038, 24.240) ( 0.03, 0.09, 0.64) 254: bond (-125.927, 114.595, -7.662) (-125.899, 114.622, -7.661) ( 0.02, 0.02, 0.02) 254: angle (-10.976, -97.837, -9.535) (-10.962, -97.823, -9.532) ( 0.13, 0.01, 0.02) 254: torsion ( -4.310, -1.339, 47.040) ( -4.310, -1.339, 47.053) ( 0.00, 0.00, 0.03) 254: oop ( -0.106, -0.070, 1.089) ( -0.090, -0.059, 0.916) ( 0.17, 0.08, 15.84) 254: vdw (-54.788, 42.635, -6.536) (-54.787, 42.636, -6.536) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( 21.003, -132.495, -21.471) ( 21.009, -132.491, -21.075) ( 0.03, 0.00, 1.85) 254: bond ( 25.927, -12.270, 1.359) ( 25.949, -12.244, 1.360) ( 0.09, 0.22, 0.03) 254: angle ( 35.206, -105.041, 15.337) ( 35.221, -105.032, 15.339) ( 0.04, 0.01, 0.01) 254: torsion ( 0.139, -0.196, -37.773) ( 0.139, -0.196, -37.760) ( 0.00, 0.00, 0.03) 254: oop ( 0.200, 0.174, -2.187) ( 0.167, 0.142, -1.805) ( 0.66, 0.55, 17.44) 254: vdw (-40.469, -15.160, 1.792) (-40.468, -15.160, 1.792) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-36.779, -70.807, -60.582) (-34.794, -71.395, -56.096) ( 5.40, 0.83, 7.41) 254: bond ( 74.777, -164.063, -84.429) ( 74.801, -164.041, -84.409) ( 0.03, 0.01, 0.02) 254: angle (-56.723, 75.522, 43.546) (-56.709, 75.538, 43.556) ( 0.02, 0.02, 0.02) 254: torsion ( 3.568, -6.797, -17.456) ( 3.568, -6.798, -17.454) ( 0.00, 0.01, 0.01) 254: oop ( -4.447, 1.389, -10.142) ( -2.501, 0.762, -5.688) (43.75, 45.13, 43.92) 254: vdw (-53.954, 23.142, 7.899) (-53.953, 23.143, 7.899) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 69.444, 172.988, -10.700) ( 69.471, 173.014, -10.791) ( 0.04, 0.02, 0.85) 254: bond (-21.543, 30.190, -0.859) (-21.529, 30.205, -0.859) ( 0.07, 0.05, 0.02) 254: angle ( 91.827, 137.422, 14.678) ( 91.830, 137.425, 14.679) ( 0.00, 0.00, 0.01) 254: torsion ( 2.672, 2.007, -24.878) ( 2.672, 2.007, -24.874) ( 0.00, 0.00, 0.01) 254: oop ( -0.069, -0.054, 0.642) ( -0.058, -0.045, 0.545) ( 0.07, 0.05, 6.20) 254: vdw ( -3.444, 3.422, -0.282) ( -3.444, 3.422, -0.282) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( 54.309, 31.278, -7.125) ( 52.239, 30.102, -21.105) ( 3.81, 3.76, 196.20) 254: bond ( 77.926, 42.082, 172.758) ( 77.956, 42.113, 172.767) ( 0.04, 0.07, 0.01) 254: angle (-64.578, -12.164, -200.161) (-64.567, -12.152, -200.149) ( 0.02, 0.10, 0.01) 254: torsion ( 8.066, -4.164, -21.071) ( 8.067, -4.164, -21.071) ( 0.00, 0.00, 0.00) 254: oop ( 5.072, 2.613, 31.589) ( 2.959, 1.395, 17.586) (41.66, 46.64, 44.33) 254: vdw ( 27.823, 2.910, 9.761) ( 27.824, 2.911, 9.761) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 ( -2.798, 31.950, -24.954) ( -2.794, 31.961, -24.949) ( 0.17, 0.04, 0.02) 254: bond ( 0.865, 37.377, -18.440) ( 0.865, 37.389, -18.437) ( 0.02, 0.03, 0.01) 254: angle ( 28.069, -8.888, -16.708) ( 28.073, -8.888, -16.706) ( 0.01, 0.01, 0.01) 254: torsion ( 2.389, -0.908, -1.729) ( 2.389, -0.908, -1.730) ( 0.00, 0.01, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-34.121, 4.368, 11.923) (-34.120, 4.368, 11.924) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 ( -2.250, 12.393, 41.148) ( -2.246, 12.396, 41.161) ( 0.19, 0.02, 0.03) 254: bond ( 4.780, 4.268, 30.232) ( 4.780, 4.268, 30.245) ( 0.00, 0.00, 0.04) 254: angle ( 16.232, -17.244, -0.133) ( 16.236, -17.241, -0.133) ( 0.02, 0.02, 0.00) 254: torsion ( -5.400, 9.053, -0.424) ( -5.400, 9.053, -0.424) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-17.862, 16.316, 11.473) (-17.862, 16.317, 11.473) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 4.355, -18.419, -24.741) ( 5.319, -16.378, -20.159) (22.12, 11.08, 18.52) 254: bond (-102.642, 129.702, -111.077) (-102.623, 129.728, -111.057) ( 0.02, 0.02, 0.02) 254: angle ( 75.638, -71.325, 99.210) ( 75.652, -71.312, 99.221) ( 0.02, 0.02, 0.01) 254: torsion ( 8.695, -4.828, -10.298) ( 8.695, -4.827, -10.297) ( 0.01, 0.01, 0.01) 254: oop ( -2.278, -4.478, -10.233) ( -1.350, -2.478, -5.685) (40.72, 44.66, 44.45) 254: vdw ( 24.943, -67.490, 7.658) ( 24.944, -67.489, 7.658) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 ( 63.010, 99.225, 20.093) ( 63.056, 99.274, 19.959) ( 0.07, 0.05, 0.66) 254: bond ( 79.413, 99.565, 30.684) ( 79.432, 99.585, 30.703) ( 0.02, 0.02, 0.06) 254: angle ( -9.952, 30.935, -40.453) ( -9.940, 30.948, -40.444) ( 0.12, 0.04, 0.02) 254: torsion ( -3.372, -4.783, 32.081) ( -3.372, -4.782, 32.085) ( 0.02, 0.02, 0.01) 254: oop ( -0.063, -0.069, 0.766) ( -0.049, -0.054, 0.602) ( 0.08, 0.10, 12.59) 254: vdw ( -3.016, -26.423, -2.986) ( -3.016, -26.422, -2.986) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 ( 37.547, -27.696, 4.109) ( 37.556, -27.688, 4.113) ( 0.03, 0.03, 0.09) 254: bond ( 28.298, -24.654, -12.032) ( 28.305, -24.649, -12.031) ( 0.02, 0.02, 0.01) 254: angle ( 22.190, 33.253, -15.922) ( 22.192, 33.255, -15.920) ( 0.01, 0.01, 0.02) 254: torsion ( -2.195, -14.384, 24.305) ( -2.195, -14.384, 24.306) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.747, -21.911, 7.758) (-10.746, -21.910, 7.758) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-11.344, 26.770, 42.444) (-11.341, 26.774, 42.458) ( 0.03, 0.02, 0.03) 254: bond ( 2.456, 2.184, 29.140) ( 2.456, 2.184, 29.154) ( 0.00, 0.00, 0.05) 254: angle ( -9.382, 12.875, -0.175) ( -9.380, 12.879, -0.175) ( 0.03, 0.03, 0.00) 254: torsion (-13.673, 31.478, -1.206) (-13.673, 31.478, -1.206) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 9.254, -19.767, 14.685) ( 9.255, -19.767, 14.685) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (-22.304, 3.401, -47.032) (-22.301, 3.406, -47.020) ( 0.02, 0.14, 0.03) 254: bond ( 2.349, -14.286, -31.725) ( 2.349, -14.284, -31.714) ( 0.00, 0.02, 0.04) 254: angle ( 2.309, 3.874, -1.575) ( 2.312, 3.876, -1.575) ( 0.13, 0.05, 0.03) 254: torsion (-21.642, 16.962, -9.243) (-21.642, 16.962, -9.243) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.320, -3.149, -4.488) ( -5.320, -3.149, -4.488) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( 4.077, -33.813, 26.813) ( 4.081, -33.804, 26.821) ( 0.09, 0.03, 0.03) 254: bond ( -6.848, -27.243, 24.405) ( -6.848, -27.236, 24.411) ( 0.00, 0.03, 0.02) 254: angle (-10.498, 9.945, 8.151) (-10.495, 9.946, 8.153) ( 0.03, 0.01, 0.02) 254: torsion ( 24.181, -10.781, -5.244) ( 24.181, -10.780, -5.244) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -2.757, -5.734, -0.499) ( -2.757, -5.734, -0.499) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 ( 11.733, 55.009, 10.634) ( 11.749, 55.015, 10.625) ( 0.13, 0.01, 0.09) 254: bond ( -1.222, 0.315, -0.136) ( -1.208, 0.316, -0.136) ( 1.13, 0.03, 0.00) 254: angle ( 14.081, 55.806, 4.778) ( 14.081, 55.810, 4.778) ( 0.00, 0.01, 0.00) 254: torsion ( -0.765, -0.332, 6.032) ( -0.765, -0.332, 6.036) ( 0.01, 0.00, 0.07) 254: oop ( -0.007, -0.003, 0.058) ( -0.006, -0.002, 0.045) ( 0.00, 0.00, 0.08) 254: vdw ( -0.355, -0.778, -0.098) ( -0.354, -0.778, -0.098) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 ( 10.482, -3.158, 6.402) ( 10.492, -3.140, 6.353) ( 0.10, 0.57, 0.76) 254: bond ( 0.414, -4.930, -0.217) ( 0.414, -4.915, -0.217) ( 0.01, 0.30, 0.00) 254: angle ( 12.011, 0.962, 1.115) ( 12.015, 0.962, 1.115) ( 0.03, 0.00, 0.01) 254: torsion ( -0.601, -0.285, 5.301) ( -0.601, -0.285, 5.307) ( 0.00, 0.00, 0.10) 254: oop ( -0.029, -0.013, 0.242) ( -0.022, -0.010, 0.188) ( 0.02, 0.00, 1.30) 254: vdw ( -1.313, 1.108, -0.039) ( -1.312, 1.108, -0.039) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 ( 30.780, 158.107, 64.874) ( 30.139, 157.939, 69.869) ( 2.08, 0.11, 7.70) 254: bond (-95.903, 15.782, -199.133) (-95.875, 15.805, -199.113) ( 0.03, 0.14, 0.01) 254: angle (118.197, 123.500, 291.853) (118.211, 123.516, 291.869) ( 0.01, 0.01, 0.01) 254: torsion ( -3.589, -2.850, -0.620) ( -3.588, -2.848, -0.620) ( 0.01, 0.08, 0.03) 254: oop ( 1.121, 0.814, -10.905) ( 0.437, 0.604, -5.947) (61.03, 17.03, 45.47) 254: vdw ( 10.954, 20.861, -16.321) ( 10.955, 20.862, -16.320) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (-37.631, -20.339, -59.768) (-37.591, -20.305, -59.727) ( 0.11, 0.17, 0.07) 254: bond (-19.638, 14.035, -5.470) (-19.621, 14.046, -5.441) ( 0.09, 0.08, 0.52) 254: angle ( 2.156, -75.195, -60.635) ( 2.166, -75.187, -60.622) ( 0.48, 0.01, 0.02) 254: torsion (-13.317, -12.946, -5.513) (-13.310, -12.934, -5.513) ( 0.06, 0.09, 0.00) 254: oop ( -0.048, -0.052, 0.010) ( -0.045, -0.050, 0.008) ( 0.02, 0.01, 0.00) 254: vdw ( -6.784, 53.819, 11.841) ( -6.782, 53.820, 11.841) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (-154.713, -430.872, -83.506) (-155.090, -430.681, -83.227) ( 0.24, 0.04, 0.33) 254: bond (-41.612, -139.052, 9.393) (-41.596, -139.020, 9.422) ( 0.04, 0.02, 0.31) 254: angle (-177.794, -307.617, -108.703) (-177.788, -307.598, -108.689) ( 0.00, 0.01, 0.01) 254: torsion ( 9.314, 0.875, 4.567) ( 9.313, 0.875, 4.567) ( 0.01, 0.00, 0.00) 254: oop ( 2.243, -0.776, -1.306) ( 1.843, -0.636, -1.070) (17.81, 10.85, 18.03) 254: vdw ( 53.137, 15.698, 12.543) ( 53.138, 15.699, 12.543) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 ( 23.892, -31.275, 44.425) ( 23.897, -31.271, 44.438) ( 0.02, 0.01, 0.03) 254: bond ( 3.796, 4.971, 35.728) ( 3.796, 4.971, 35.742) ( 0.00, 0.00, 0.04) 254: angle ( 25.011, -40.894, 3.030) ( 25.015, -40.891, 3.030) ( 0.02, 0.01, 0.00) 254: torsion ( -1.992, -20.942, 3.124) ( -1.993, -20.942, 3.124) ( 0.03, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -2.923, 25.590, 2.541) ( -2.922, 25.591, 2.542) ( 0.04, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (-51.578, 14.808, -28.254) (-51.561, 14.816, -28.214) ( 0.03, 0.05, 0.14) 254: bond ( 21.566, -14.742, 79.018) ( 21.583, -14.732, 79.046) ( 0.08, 0.07, 0.04) 254: angle (-29.990, 22.642, -44.609) (-29.981, 22.647, -44.598) ( 0.03, 0.02, 0.03) 254: torsion ( -7.402, -9.999, 0.215) ( -7.394, -9.985, 0.215) ( 0.10, 0.14, 0.00) 254: oop ( 0.114, 0.145, -0.000) ( 0.097, 0.123, -0.000) ( 0.20, 0.31, 0.00) 254: vdw (-35.866, 16.762, -62.877) (-35.865, 16.763, -62.877) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( -9.338, -0.423, -19.364) ( -9.298, -0.387, -19.323) ( 0.42, 1.55, 0.21) 254: bond (-22.601, 16.510, 33.915) (-22.583, 16.521, 33.940) ( 0.08, 0.07, 0.07) 254: angle ( 9.256, -6.399, 21.189) ( 9.262, -6.395, 21.204) ( 0.07, 0.06, 0.07) 254: torsion ( -3.635, -4.954, 0.185) ( -3.627, -4.941, 0.185) ( 0.21, 0.28, 0.00) 254: oop ( -0.037, -0.049, -0.001) ( -0.030, -0.040, -0.000) ( 0.02, 0.04, 0.00) 254: vdw ( 7.680, -5.532, -74.653) ( 7.679, -5.532, -74.651) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( 14.625, -7.992, -3.371) ( 14.695, -7.915, -3.331) ( 0.48, 0.96, 1.18) 254: bond (-19.694, 14.338, 19.140) (-19.678, 14.348, 19.169) ( 0.08, 0.07, 0.15) 254: angle (-13.808, 10.641, 1.140) (-13.800, 10.646, 1.151) ( 0.06, 0.05, 0.92) 254: torsion ( 2.277, 2.841, 0.060) ( 2.285, 2.855, 0.060) ( 0.34, 0.48, 0.00) 254: oop ( -0.215, -0.283, -0.004) ( -0.179, -0.235, -0.003) ( 0.77, 1.35, 0.00) 254: vdw ( 46.065, -35.530, -23.708) ( 46.065, -35.529, -23.707) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 11.032, -8.892, 3.661) ( 11.029, -8.910, 3.700) ( 0.03, 0.21, 1.08) 254: bond (-43.220, 33.860, -7.922) (-43.203, 33.871, -7.894) ( 0.04, 0.03, 0.35) 254: angle ( 5.370, -2.751, -38.560) ( 5.378, -2.746, -38.548) ( 0.15, 0.17, 0.03) 254: torsion ( -1.231, -1.470, 0.029) ( -1.223, -1.457, 0.029) ( 0.66, 0.90, 0.00) 254: oop ( 0.244, 0.314, 0.008) ( 0.207, 0.266, 0.007) ( 0.90, 1.49, 0.00) 254: vdw ( 49.870, -38.844, 50.106) ( 49.870, -38.843, 50.106) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 ( 35.040, -11.112, -7.538) ( 35.159, -10.971, -7.494) ( 0.34, 1.27, 0.58) 254: bond ( -3.115, 5.491, -146.885) ( -3.097, 5.502, -146.863) ( 0.59, 0.21, 0.01) 254: angle ( 28.451, -22.074, 68.116) ( 28.456, -22.071, 68.132) ( 0.02, 0.01, 0.02) 254: torsion ( 6.340, 7.205, -0.976) ( 6.347, 7.216, -0.976) ( 0.10, 0.15, 0.00) 254: oop ( -0.524, -0.680, -0.024) ( -0.436, -0.565, -0.020) ( 4.64, 7.85, 0.01) 254: vdw ( 3.888, -1.054, 72.231) ( 3.888, -1.054, 72.233) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 ( 26.429, 5.628, 15.362) ( 26.436, 5.634, 15.371) ( 0.03, 0.10, 0.06) 254: bond ( 14.560, -10.532, 14.887) ( 14.566, -10.528, 14.894) ( 0.04, 0.03, 0.04) 254: angle ( -8.953, 6.848, 13.594) ( -8.952, 6.849, 13.596) ( 0.01, 0.01, 0.02) 254: torsion ( 15.921, 21.527, -0.353) ( 15.923, 21.530, -0.353) ( 0.01, 0.02, 0.00) 254: oop ( 0.008, 0.010, -0.000) ( 0.006, 0.009, -0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 4.893, -12.226, -12.766) ( 4.893, -12.226, -12.766) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 ( -5.528, 11.974, -8.448) ( -5.523, 11.977, -8.440) ( 0.09, 0.02, 0.10) 254: bond (-11.891, 9.551, -11.628) (-11.885, 9.555, -11.622) ( 0.05, 0.04, 0.05) 254: angle ( -4.069, 3.054, 6.669) ( -4.068, 3.055, 6.672) ( 0.02, 0.02, 0.04) 254: torsion ( 3.575, 4.553, 0.087) ( 3.577, 4.556, 0.087) ( 0.05, 0.07, 0.00) 254: oop ( 0.025, 0.032, 0.001) ( 0.021, 0.026, 0.001) ( 0.01, 0.02, 0.00) 254: vdw ( 6.832, -5.216, -3.577) ( 6.832, -5.216, -3.577) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( -4.119, 18.843, 76.496) ( -4.146, 18.806, 76.506) ( 0.66, 0.19, 0.01) 254: bond ( -3.906, 1.114, 49.703) ( -3.906, 1.113, 49.715) ( 0.00, 0.01, 0.02) 254: angle (-35.531, 27.684, -3.411) (-35.530, 27.685, -3.411) ( 0.00, 0.00, 0.00) 254: torsion ( 10.449, 13.670, 0.515) ( 10.449, 13.671, 0.515) ( 0.01, 0.01, 0.00) 254: oop ( 0.184, 0.238, 0.009) ( 0.154, 0.199, 0.008) ( 0.55, 0.93, 0.00) 254: vdw ( 24.685, -23.863, 29.680) ( 24.686, -23.862, 29.681) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 ( -5.820, -7.368, 15.017) ( -5.823, -7.374, 15.032) ( 0.06, 0.08, 0.10) 254: bond ( -1.988, 1.341, 17.656) ( -1.988, 1.342, 17.671) ( 0.01, 0.01, 0.08) 254: angle ( 1.111, -0.844, 0.189) ( 1.113, -0.843, 0.189) ( 0.23, 0.12, 0.00) 254: torsion ( -5.653, -7.515, -0.065) ( -5.651, -7.512, -0.065) ( 0.03, 0.04, 0.00) 254: oop ( 0.049, 0.065, 0.001) ( 0.041, 0.054, 0.000) ( 0.04, 0.07, 0.00) 254: vdw ( 0.661, -0.415, -2.763) ( 0.661, -0.415, -2.763) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-12.539, 6.067, 5.303) (-12.546, 6.052, 5.309) ( 0.06, 0.25, 0.10) 254: bond (-12.860, 9.733, 6.528) (-12.852, 9.738, 6.530) ( 0.06, 0.05, 0.03) 254: angle ( 0.009, -0.020, 0.044) ( 0.009, -0.020, 0.047) ( 0.00, 0.00, 0.02) 254: torsion ( -1.782, -2.314, -0.057) ( -1.780, -2.311, -0.057) ( 0.10, 0.14, 0.00) 254: oop ( 0.107, 0.140, 0.002) ( 0.089, 0.116, 0.001) ( 0.19, 0.33, 0.00) 254: vdw ( 1.988, -1.472, -1.213) ( 1.988, -1.472, -1.212) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 (-21.475, -19.086, 14.442) (-21.268, -19.132, 14.340) ( 0.96, 0.24, 0.70) 254: bond (-28.227, -40.479, -24.358) (-28.218, -40.461, -24.351) ( 0.03, 0.05, 0.03) 254: angle ( -7.269, 20.713, -26.004) ( -7.269, 20.716, -25.999) ( 0.00, 0.02, 0.02) 254: torsion (-17.297, 5.979, 10.109) (-17.297, 5.979, 10.109) ( 0.00, 0.00, 0.00) 254: oop ( -0.893, 0.309, 0.519) ( -0.695, 0.241, 0.405) (17.64, 2.11, 5.95) 254: vdw ( 32.211, -5.608, 54.175) ( 32.211, -5.608, 54.176) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 (191.674, 529.624, 17.656) (191.798, 529.618, 17.621) ( 0.07, 0.00, 0.20) 254: bond ( 58.236, 235.285, -11.641) ( 58.243, 235.306, -11.617) ( 0.01, 0.01, 0.20) 254: angle (117.848, 263.254, 51.661) (117.853, 263.265, 51.664) ( 0.00, 0.00, 0.01) 254: torsion ( 7.170, -2.214, -3.132) ( 7.171, -2.214, -3.132) ( 0.02, 0.01, 0.02) 254: oop ( -0.723, 0.249, 0.417) ( -0.612, 0.211, 0.354) ( 8.03, 0.96, 2.67) 254: vdw ( 9.142, 33.049, -19.649) ( 9.142, 33.050, -19.648) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 (-95.864, -304.195, -16.249) (-95.834, -304.157, -16.216) ( 0.03, 0.01, 0.20) 254: bond ( -7.830, -283.974, 125.651) ( -7.811, -283.947, 125.671) ( 0.25, 0.01, 0.02) 254: angle (-63.048, -27.767, -86.024) (-63.038, -27.756, -86.013) ( 0.02, 0.04, 0.01) 254: torsion ( 2.136, -2.699, -6.132) ( 2.137, -2.699, -6.131) ( 0.06, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-27.123, 10.246, -49.744) (-27.122, 10.246, -49.743) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 (-19.068, 11.021, -38.923) (-19.063, 11.024, -38.912) ( 0.03, 0.03, 0.03) 254: bond (-21.019, -1.122, -37.942) (-21.016, -1.122, -37.932) ( 0.01, 0.02, 0.03) 254: angle ( 3.075, 12.287, -2.069) ( 3.076, 12.290, -2.068) ( 0.05, 0.03, 0.03) 254: torsion ( -1.170, 0.310, 0.639) ( -1.170, 0.310, 0.639) ( 0.02, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.047, -0.454, 0.449) ( 0.047, -0.454, 0.449) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 (-16.760, 36.523, 29.211) (-16.755, 36.531, 29.218) ( 0.03, 0.02, 0.02) 254: bond (-19.545, 27.111, 25.058) (-19.543, 27.117, 25.063) ( 0.01, 0.02, 0.02) 254: angle ( 8.183, -3.579, 10.250) ( 8.185, -3.577, 10.252) ( 0.02, 0.06, 0.02) 254: torsion ( 3.176, 0.660, 1.763) ( 3.177, 0.660, 1.763) ( 0.01, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.575, 12.331, -7.860) ( -8.574, 12.332, -7.860) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 ( 47.268, 16.793, -9.312) ( 47.281, 16.797, -9.309) ( 0.03, 0.03, 0.03) 254: bond ( 40.819, 12.299, -7.273) ( 40.832, 12.300, -7.273) ( 0.03, 0.01, 0.00) 254: angle ( 4.589, -6.863, 14.160) ( 4.589, -6.860, 14.162) ( 0.01, 0.04, 0.01) 254: torsion ( 0.016, 0.138, 0.323) ( 0.016, 0.138, 0.323) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.844, 11.218, -16.522) ( 1.844, 11.218, -16.521) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 26 # gradients 254: ok 27 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (116.287, -8.442, -22.838) (115.961, -8.715, -21.215) ( 0.28, 3.23, 7.11) 254: bond ( 22.087, 34.962, 11.952) ( 22.113, 34.988, 11.955) ( 0.12, 0.08, 0.02) 254: angle (165.435, -77.004, 22.812) (165.451, -76.990, 22.815) ( 0.01, 0.02, 0.01) 254: torsion ( 9.259, 8.251, -38.340) ( 9.260, 8.252, -38.324) ( 0.01, 0.01, 0.04) 254: oop ( 2.175, 1.906, -9.509) ( 1.805, 1.591, -7.909) (17.02, 16.54, 16.83) 254: vdw (-82.669, 23.444, -9.752) (-82.667, 23.444, -9.753) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-155.800, 150.666, 267.741) (-154.650, 151.649, 263.333) ( 0.74, 0.65, 1.65) 254: bond ( 9.289, 69.441, 23.457) ( 9.318, 69.474, 23.461) ( 0.31, 0.05, 0.02) 254: angle (-107.245, 105.199, 110.114) (-107.231, 105.217, 110.118) ( 0.01, 0.02, 0.00) 254: torsion (-32.308, -13.312, 54.815) (-32.307, -13.311, 54.830) ( 0.00, 0.00, 0.03) 254: oop ( -6.535, -5.596, 26.451) ( -5.431, -4.669, 22.019) (16.90, 16.58, 16.75) 254: vdw (-19.000, -5.065, 52.904) (-19.000, -5.063, 52.905) ( 0.00, 0.04, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-57.832, 13.874, -100.971) (-58.268, 13.545, -99.127) ( 0.76, 2.38, 1.83) 254: bond (-38.862, -10.395, -15.474) (-38.837, -10.368, -15.471) ( 0.07, 0.26, 0.02) 254: angle (-109.964, -43.953, -25.984) (-109.949, -43.939, -25.981) ( 0.01, 0.03, 0.01) 254: torsion ( 21.720, 18.174, -85.176) ( 21.721, 18.175, -85.164) ( 0.00, 0.00, 0.01) 254: oop ( 2.730, 2.131, -10.332) ( 2.250, 1.759, -8.506) (17.57, 17.48, 17.67) 254: vdw ( 66.545, 47.917, 35.994) ( 66.546, 47.918, 35.994) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (184.459, -239.482, -29.973) (184.508, -239.437, -29.957) ( 0.03, 0.02, 0.06) 254: bond (-32.139, 7.417, -7.582) (-32.111, 7.449, -7.577) ( 0.09, 0.43, 0.06) 254: angle (144.581, -202.810, -20.798) (144.599, -202.798, -20.794) ( 0.01, 0.01, 0.02) 254: torsion ( -1.634, -4.597, -9.079) ( -1.633, -4.596, -9.069) ( 0.06, 0.02, 0.11) 254: oop ( -0.003, -0.005, 0.035) ( -0.004, -0.005, 0.033) ( 0.00, 0.00, 0.01) 254: vdw ( 73.655, -39.487, 7.449) ( 73.657, -39.486, 7.449) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-72.114, 270.082, 106.351) (-72.064, 270.118, 106.344) ( 0.07, 0.01, 0.01) 254: bond ( 18.507, 66.722, 22.387) ( 18.545, 66.737, 22.391) ( 0.21, 0.02, 0.02) 254: angle (-58.001, 253.644, 45.410) (-57.997, 253.659, 45.411) ( 0.01, 0.01, 0.00) 254: torsion (-14.088, -14.246, 55.093) (-14.087, -14.246, 55.103) ( 0.00, 0.01, 0.02) 254: oop ( -0.043, -0.038, 0.154) ( -0.037, -0.032, 0.132) ( 0.03, 0.02, 0.34) 254: vdw (-18.489, -36.000, -16.693) (-18.488, -35.999, -16.693) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (-144.386, -274.299, -65.742) (-144.318, -274.236, -65.806) ( 0.05, 0.02, 0.10) 254: bond ( 24.508, -14.699, 2.276) ( 24.539, -14.671, 2.278) ( 0.13, 0.19, 0.12) 254: angle (-110.762, -191.038, -70.306) (-110.747, -191.026, -70.305) ( 0.01, 0.01, 0.00) 254: torsion ( -6.352, -6.639, 30.953) ( -6.351, -6.638, 30.969) ( 0.01, 0.01, 0.05) 254: oop ( -0.117, -0.124, 0.529) ( -0.098, -0.104, 0.445) ( 0.22, 0.25, 4.46) 254: vdw (-51.662, -61.799, -29.194) (-51.661, -61.798, -29.193) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (122.317, 204.297, 91.404) (122.354, 204.333, 91.400) ( 0.03, 0.02, 0.00) 254: bond (-59.287, 40.804, -39.722) (-59.267, 40.822, -39.705) ( 0.03, 0.04, 0.04) 254: angle (169.152, 160.163, 141.143) (169.162, 160.174, 141.153) ( 0.01, 0.01, 0.01) 254: torsion ( 11.730, 31.489, -2.761) ( 11.730, 31.488, -2.760) ( 0.00, 0.00, 0.02) 254: oop ( -0.052, -0.048, 0.202) ( -0.044, -0.041, 0.170) ( 0.04, 0.04, 0.63) 254: vdw ( 0.773, -28.111, -7.459) ( 0.773, -28.110, -7.459) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (203.160, -45.288, -431.202) (202.847, -45.562, -429.849) ( 0.15, 0.61, 0.31) 254: bond ( 95.715, 18.633, -250.426) ( 95.719, 18.665, -250.410) ( 0.00, 0.17, 0.01) 254: angle (101.532, -91.827, -165.456) (101.541, -91.824, -165.450) ( 0.01, 0.00, 0.00) 254: torsion ( 13.941, 3.202, -5.164) ( 13.941, 3.202, -5.161) ( 0.00, 0.01, 0.05) 254: oop ( 2.059, 1.964, -8.438) ( 1.732, 1.654, -7.110) (15.90, 15.77, 15.74) 254: vdw (-10.088, 22.740, -1.718) (-10.086, 22.741, -1.718) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-119.586, -4.170, 306.701) (-119.558, -4.136, 306.738) ( 0.02, 0.82, 0.01) 254: bond (-74.362, -193.521, 251.137) (-74.343, -193.499, 251.163) ( 0.03, 0.01, 0.01) 254: angle (-42.941, 160.865, 63.012) (-42.932, 160.877, 63.023) ( 0.02, 0.01, 0.02) 254: torsion ( 3.312, 2.617, 2.887) ( 3.313, 2.617, 2.887) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.595, 25.869, -10.335) ( -5.595, 25.869, -10.335) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 1.128, -17.670, 8.275) ( 1.188, -17.614, 8.174) ( 5.31, 0.31, 1.23) 254: bond (-74.691, -54.906, -31.978) (-74.672, -54.888, -31.960) ( 0.03, 0.03, 0.06) 254: angle ( 57.560, 23.646, 21.495) ( 57.570, 23.656, 21.502) ( 0.02, 0.04, 0.03) 254: torsion ( -0.752, -2.541, 6.822) ( -0.753, -2.542, 6.822) ( 0.05, 0.04, 0.01) 254: oop ( -0.164, -0.141, 0.673) ( -0.133, -0.114, 0.545) ( 0.51, 0.38, 8.62) 254: vdw ( 19.175, 16.273, 11.263) ( 19.176, 16.274, 11.263) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 ( 7.300, -10.594, -0.715) ( 7.342, -10.551, -0.744) ( 0.59, 0.40, 2.08) 254: bond ( 70.242, -27.806, 10.923) ( 70.262, -27.788, 10.941) ( 0.03, 0.06, 0.17) 254: angle (-42.172, 23.429, -1.074) (-42.163, 23.439, -1.067) ( 0.02, 0.04, 0.67) 254: torsion ( 0.776, 0.111, -5.336) ( 0.776, 0.112, -5.332) ( 0.02, 0.01, 0.06) 254: oop ( -0.068, -0.069, 0.306) ( -0.055, -0.056, 0.248) ( 0.09, 0.09, 1.78) 254: vdw (-21.478, -6.259, -5.534) (-21.477, -6.258, -5.534) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-347.962, -83.970, -34.862) (-347.919, -83.904, -34.737) ( 0.01, 0.08, 0.36) 254: bond (-95.159, 57.313, -18.541) (-95.123, 57.343, -18.539) ( 0.04, 0.05, 0.01) 254: angle (-217.544, -227.821, 8.524) (-217.526, -227.800, 8.524) ( 0.01, 0.01, 0.00) 254: torsion ( 0.732, -1.049, -7.161) ( 0.733, -1.048, -7.131) ( 0.03, 0.07, 0.43) 254: oop ( 0.065, -0.091, -0.610) ( 0.054, -0.078, -0.517) ( 0.07, 0.12, 5.67) 254: vdw (-36.057, 87.678, -17.073) (-36.056, 87.680, -17.073) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-47.159, 1.404, -6.248) (-47.121, 1.446, -6.216) ( 0.08, 2.99, 0.52) 254: bond ( 4.431, -78.812, 12.662) ( 4.458, -78.785, 12.664) ( 0.61, 0.03, 0.01) 254: angle (-82.462, 46.267, -15.546) (-82.451, 46.280, -15.546) ( 0.01, 0.03, 0.00) 254: torsion ( 0.144, -0.241, -1.412) ( 0.144, -0.240, -1.388) ( 0.00, 0.01, 1.66) 254: oop ( -0.002, 0.003, 0.018) ( -0.003, 0.004, 0.025) ( 0.00, 0.00, 0.01) 254: vdw ( 30.730, 34.187, -1.971) ( 30.731, 34.188, -1.971) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 ( 96.852, 4.630, 8.342) ( 96.892, 4.670, 8.379) ( 0.04, 0.87, 0.43) 254: bond (-81.099, -19.893, -5.762) (-81.075, -19.864, -5.760) ( 0.03, 0.15, 0.03) 254: angle ( 84.801, 33.466, 4.032) ( 84.815, 33.475, 4.033) ( 0.02, 0.03, 0.01) 254: torsion ( 0.104, -0.149, -0.999) ( 0.104, -0.149, -0.979) ( 0.00, 0.01, 2.05) 254: oop ( 0.008, -0.012, -0.078) ( 0.007, -0.010, -0.064) ( 0.00, 0.00, 0.10) 254: vdw ( 93.038, -8.781, 11.149) ( 93.040, -8.782, 11.149) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( 24.690, -95.271, 15.467) ( 24.730, -95.231, 15.482) ( 0.16, 0.04, 0.10) 254: bond ( -7.132, 82.507, -13.213) ( -7.103, 82.532, -13.212) ( 0.40, 0.03, 0.01) 254: angle ( -4.266, -90.118, 13.138) ( -4.256, -90.105, 13.138) ( 0.23, 0.01, 0.00) 254: torsion ( 0.185, -0.262, -1.771) ( 0.185, -0.261, -1.751) ( 0.00, 0.01, 1.16) 254: oop ( -0.005, 0.007, 0.047) ( -0.004, 0.006, 0.039) ( 0.00, 0.00, 0.04) 254: vdw ( 35.908, -87.405, 17.267) ( 35.909, -87.403, 17.267) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-14.226, 47.407, -7.376) (-14.186, 47.450, -7.339) ( 0.27, 0.09, 0.50) 254: bond ( 79.107, 23.236, 4.878) ( 79.134, 23.262, 4.880) ( 0.03, 0.11, 0.03) 254: angle (-66.419, 62.051, -14.039) (-66.406, 62.063, -14.039) ( 0.02, 0.02, 0.00) 254: torsion ( 0.056, -0.204, -1.211) ( 0.056, -0.203, -1.189) ( 0.00, 0.01, 1.85) 254: oop ( -0.002, 0.001, 0.008) ( -0.003, 0.003, 0.021) ( 0.00, 0.00, 0.01) 254: vdw (-26.968, -37.677, 2.988) (-26.968, -37.676, 2.988) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-39.515, 382.680, -63.790) (-39.454, 382.721, -63.819) ( 0.16, 0.01, 0.04) 254: bond (-133.796, 87.788, -25.421) (-133.762, 87.821, -25.419) ( 0.03, 0.04, 0.01) 254: angle (188.007, 285.937, -24.977) (188.027, 285.953, -24.977) ( 0.01, 0.01, 0.00) 254: torsion ( 0.382, -0.385, -2.583) ( 0.383, -0.384, -2.558) ( 0.01, 0.02, 0.99) 254: oop ( -0.021, 0.035, 0.233) ( -0.016, 0.027, 0.176) ( 0.01, 0.03, 1.31) 254: vdw (-94.088, 9.305, -11.042) (-94.085, 9.305, -11.042) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (212.966, -78.853, 86.599) (213.063, -78.852, 86.189) ( 0.05, 0.00, 0.47) 254: bond ( 32.722, -204.290, 33.509) ( 32.759, -204.250, 33.510) ( 0.11, 0.02, 0.00) 254: angle (159.584, 163.634, -10.633) (159.597, 163.653, -10.632) ( 0.01, 0.01, 0.01) 254: torsion ( -5.949, 8.499, 59.353) ( -5.949, 8.500, 59.376) ( 0.00, 0.01, 0.04) 254: oop ( -0.214, 0.297, 2.136) ( -0.168, 0.239, 1.700) ( 0.99, 1.74, 20.41) 254: vdw ( 26.823, -46.995, 2.235) ( 26.824, -46.994, 2.235) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (1019.396, 300.440, 81.714) (1019.454, 300.455, 81.497) ( 0.01, 0.00, 0.27) 254: bond (111.633, 0.358, 7.479) (111.661, 0.396, 7.479) ( 0.03, 1.35, 0.00) 254: angle (888.998, 300.890, 82.517) (889.014, 300.903, 82.518) ( 0.00, 0.00, 0.00) 254: torsion ( -0.754, 0.132, 4.980) ( -0.754, 0.133, 4.992) ( 0.00, 0.00, 0.25) 254: oop ( -0.014, 0.046, 0.300) ( -0.002, 0.010, 0.069) ( 0.02, 0.17, 6.96) 254: vdw ( 19.534, -0.986, -13.562) ( 19.534, -0.986, -13.562) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (-388.615, -447.620, 27.265) (-388.593, -447.552, 27.475) ( 0.01, 0.02, 0.77) 254: bond (187.005, -176.800, 44.071) (187.029, -176.769, 44.073) ( 0.01, 0.02, 0.00) 254: angle (-578.131, -267.848, -1.152) (-578.119, -267.841, -1.153) ( 0.00, 0.00, 0.03) 254: torsion ( 0.858, -2.027, -13.278) ( 0.858, -2.026, -13.269) ( 0.01, 0.01, 0.06) 254: oop ( 0.040, -0.081, -0.537) ( 0.027, -0.051, -0.337) ( 0.05, 0.25, 10.76) 254: vdw ( 1.612, -0.864, -1.840) ( 1.612, -0.864, -1.840) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (-794.623, -314.468, -466.439) (-794.605, -314.423, -466.288) ( 0.00, 0.01, 0.03) 254: bond (-161.101, 6.643, -48.436) (-161.085, 6.666, -48.428) ( 0.01, 0.34, 0.02) 254: angle (-581.286, -318.955, -397.058) (-581.278, -318.953, -397.054) ( 0.00, 0.00, 0.00) 254: torsion ( 3.410, -0.722, -12.178) ( 3.410, -0.722, -12.176) ( 0.00, 0.01, 0.02) 254: oop ( 0.022, -0.047, -0.324) ( 0.014, -0.027, -0.187) ( 0.02, 0.10, 4.46) 254: vdw (-55.668, -1.388, -8.443) (-55.666, -1.388, -8.443) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (-105.736, 234.763, 265.708) (-105.719, 234.782, 265.709) ( 0.02, 0.01, 0.00) 254: bond ( 86.180, 110.253, 19.659) ( 86.189, 110.267, 19.659) ( 0.01, 0.01, 0.00) 254: angle ( 55.099, -87.896, 251.431) ( 55.101, -87.895, 251.433) ( 0.00, 0.00, 0.00) 254: torsion ( -1.509, 0.859, 1.795) ( -1.509, 0.859, 1.795) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-245.506, 211.547, -7.177) (-245.500, 211.551, -7.178) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 (-22.924, 48.489, 2.238) (-22.916, 48.496, 2.254) ( 0.03, 0.01, 0.74) 254: bond ( 13.208, 12.111, 5.841) ( 13.216, 12.117, 5.843) ( 0.06, 0.05, 0.03) 254: angle (-43.891, 47.393, 0.985) (-43.889, 47.395, 0.985) ( 0.01, 0.00, 0.01) 254: torsion ( 0.664, 0.643, -2.841) ( 0.664, 0.644, -2.838) ( 0.01, 0.01, 0.12) 254: oop ( 0.018, 0.019, -0.080) ( 0.016, 0.016, -0.069) ( 0.00, 0.01, 0.09) 254: vdw ( 7.076, -11.676, -1.667) ( 7.077, -11.676, -1.667) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( -7.837, -44.589, 4.424) ( -7.833, -44.576, 4.426) ( 0.06, 0.03, 0.05) 254: bond ( -6.253, -34.723, 4.129) ( -6.253, -34.710, 4.129) ( 0.00, 0.04, 0.00) 254: angle ( -4.590, 0.221, -5.090) ( -4.587, 0.221, -5.088) ( 0.07, 0.00, 0.05) 254: torsion ( 0.281, -1.964, -16.082) ( 0.280, -1.964, -16.083) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 2.725, -8.123, 21.468) ( 2.726, -8.123, 21.468) ( 0.04, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 6.785, -15.171, 48.550) ( 6.791, -15.167, 48.560) ( 0.08, 0.03, 0.02) 254: bond ( 22.381, 13.458, 37.096) ( 22.384, 13.459, 37.105) ( 0.01, 0.01, 0.02) 254: angle (-15.995, 32.011, -1.965) (-15.993, 32.013, -1.964) ( 0.01, 0.01, 0.04) 254: torsion ( -6.680, -21.602, 11.866) ( -6.681, -21.603, 11.866) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 7.079, -39.037, 1.553) ( 7.080, -39.036, 1.553) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 ( 21.953, -18.144, -48.857) ( 21.956, -18.136, -48.846) ( 0.01, 0.04, 0.02) 254: bond ( 8.565, -18.256, -28.608) ( 8.566, -18.252, -28.599) ( 0.01, 0.02, 0.03) 254: angle ( -5.074, -43.418, 26.189) ( -5.072, -43.416, 26.189) ( 0.03, 0.01, 0.00) 254: torsion ( 9.100, -0.002, 2.727) ( 9.100, -0.002, 2.727) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 9.362, 43.533, -49.165) ( 9.362, 43.534, -49.164) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 (-32.837, 20.876, -23.101) (-32.827, 20.882, -23.098) ( 0.03, 0.03, 0.02) 254: bond (-33.689, 24.661, -9.207) (-33.681, 24.666, -9.207) ( 0.03, 0.02, 0.00) 254: angle ( 4.466, 3.179, -7.826) ( 4.467, 3.180, -7.823) ( 0.03, 0.05, 0.04) 254: torsion ( -3.400, -6.881, -5.998) ( -3.400, -6.881, -5.998) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.214, -0.083, -0.070) ( -0.214, -0.083, -0.070) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 ( 29.459, 32.359, 5.387) ( 29.468, 32.365, 5.391) ( 0.03, 0.02, 0.08) 254: bond ( 32.279, 25.004, 10.637) ( 32.287, 25.009, 10.638) ( 0.02, 0.02, 0.01) 254: angle ( 2.262, -0.130, -6.570) ( 2.263, -0.129, -6.566) ( 0.04, 0.02, 0.05) 254: torsion ( -4.847, 5.257, 2.351) ( -4.847, 5.257, 2.351) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.236, 2.228, -1.031) ( -0.236, 2.228, -1.031) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( 23.800, -9.730, 23.722) ( 23.807, -9.723, 23.727) ( 0.03, 0.07, 0.02) 254: bond ( 31.491, -22.473, 25.990) ( 31.497, -22.470, 25.994) ( 0.02, 0.01, 0.02) 254: angle (-10.048, -31.603, -15.144) (-10.047, -31.601, -15.143) ( 0.01, 0.01, 0.01) 254: torsion ( -0.676, 0.286, 1.067) ( -0.676, 0.286, 1.066) ( 0.01, 0.00, 0.05) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.033, 44.061, 11.809) ( 3.033, 44.062, 11.809) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 ( 15.633, 15.357, -37.055) ( 15.637, 15.361, -37.045) ( 0.03, 0.02, 0.03) 254: bond ( 19.159, 16.724, -32.895) ( 19.161, 16.726, -32.887) ( 0.01, 0.01, 0.03) 254: angle ( -3.819, -4.250, -4.386) ( -3.817, -4.248, -4.385) ( 0.05, 0.04, 0.03) 254: torsion ( -1.276, 1.541, 0.040) ( -1.276, 1.540, 0.040) ( 0.02, 0.03, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.569, 1.342, 0.187) ( 1.569, 1.342, 0.187) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-19.753, 28.914, 24.017) (-19.748, 28.922, 24.022) ( 0.02, 0.03, 0.02) 254: bond (-13.995, 29.540, 23.071) (-13.993, 29.547, 23.075) ( 0.01, 0.03, 0.02) 254: angle (-27.081, -2.299, -13.480) (-27.079, -2.298, -13.479) ( 0.01, 0.04, 0.01) 254: torsion ( 0.414, -1.810, 2.570) ( 0.414, -1.810, 2.569) ( 0.00, 0.01, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 20.909, 3.483, 11.857) ( 20.910, 3.483, 11.857) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 (-22.297, -33.757, -28.551) (-22.289, -33.748, -28.549) ( 0.03, 0.03, 0.01) 254: bond (-25.733, -29.234, -5.362) (-25.727, -29.226, -5.362) ( 0.02, 0.03, 0.00) 254: angle ( 19.085, -16.487, -1.723) ( 19.086, -16.485, -1.721) ( 0.01, 0.01, 0.11) 254: torsion ( 3.333, 1.004, -21.468) ( 3.333, 1.004, -21.468) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-18.982, 10.960, 0.002) (-18.982, 10.960, 0.002) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 (-12.011, 7.338, 43.758) (-12.007, 7.343, 43.768) ( 0.03, 0.07, 0.02) 254: bond (-11.801, 20.330, 32.128) (-11.800, 20.334, 32.137) ( 0.01, 0.02, 0.03) 254: angle ( 16.633, 4.884, 3.016) ( 16.635, 4.886, 3.016) ( 0.01, 0.03, 0.03) 254: torsion ( -7.580, -17.156, 8.071) ( -7.580, -17.155, 8.072) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -9.262, -0.721, 0.543) ( -9.262, -0.721, 0.543) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 ( 11.313, 44.694, -21.813) ( 11.315, 44.701, -21.804) ( 0.02, 0.01, 0.04) 254: bond ( -1.579, 24.927, -33.437) ( -1.579, 24.932, -33.428) ( 0.01, 0.02, 0.03) 254: angle ( 11.630, 2.486, 1.305) ( 11.633, 2.487, 1.306) ( 0.02, 0.05, 0.05) 254: torsion ( 4.701, 17.021, 12.473) ( 4.701, 17.021, 12.473) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.440, 0.260, -2.154) ( -3.440, 0.260, -2.154) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 ( -0.828, -5.232, -0.655) ( -0.821, -5.219, -0.641) ( 0.59, 0.24, 0.91) 254: bond ( -3.744, -5.083, 0.375) ( -3.739, -5.074, 0.375) ( 0.14, 0.19, 0.00) 254: angle ( 2.261, -1.631, 0.531) ( 2.264, -1.629, 0.531) ( 0.12, 0.08, 0.00) 254: torsion ( 0.141, -0.201, -1.325) ( 0.141, -0.201, -1.320) ( 0.00, 0.00, 0.39) 254: oop ( 0.005, -0.007, -0.043) ( 0.004, -0.005, -0.034) ( 0.00, 0.00, 0.04) 254: vdw ( 0.510, 1.690, -0.193) ( 0.510, 1.690, -0.193) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 (-26.249, 5.898, -5.175) (-26.234, 5.903, -5.171) ( 0.06, 0.07, 0.08) 254: bond (-29.191, 3.711, -3.730) (-29.177, 3.711, -3.730) ( 0.05, 0.01, 0.01) 254: angle ( 0.259, 1.789, -0.245) ( 0.259, 1.793, -0.245) ( 0.00, 0.22, 0.00) 254: torsion ( 0.150, -0.213, -1.393) ( 0.150, -0.213, -1.388) ( 0.00, 0.00, 0.34) 254: oop ( -0.001, 0.001, 0.007) ( -0.001, 0.001, 0.006) ( 0.00, 0.00, 0.00) 254: vdw ( 2.534, 0.611, 0.186) ( 2.534, 0.612, 0.186) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 (-14.760, 22.916, -4.947) (-14.755, 22.930, -4.936) ( 0.04, 0.06, 0.22) 254: bond (-12.077, 26.778, -5.388) (-12.074, 26.791, -5.387) ( 0.02, 0.05, 0.01) 254: angle ( -2.847, -1.306, -0.117) ( -2.843, -1.305, -0.117) ( 0.12, 0.05, 0.00) 254: torsion ( -0.021, 0.028, 0.184) ( -0.021, 0.028, 0.189) ( 0.00, 0.00, 0.09) 254: oop ( 0.004, -0.005, -0.036) ( 0.003, -0.005, -0.030) ( 0.00, 0.00, 0.02) 254: vdw ( 0.181, -2.579, 0.409) ( 0.181, -2.579, 0.409) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 ( 1.676, 4.570, 2.504) ( 1.683, 4.583, 2.523) ( 0.40, 0.29, 0.76) 254: bond ( 3.709, 4.859, -0.358) ( 3.715, 4.869, -0.358) ( 0.15, 0.19, 0.00) 254: angle ( -0.235, 0.177, 0.010) ( -0.232, 0.178, 0.010) ( 0.06, 0.02, 0.00) 254: torsion ( -0.300, 0.446, 2.942) ( -0.300, 0.446, 2.947) ( 0.00, 0.01, 0.18) 254: oop ( 0.007, -0.011, -0.070) ( 0.006, -0.009, -0.056) ( 0.00, 0.00, 0.10) 254: vdw ( -1.505, -0.901, -0.020) ( -1.505, -0.901, -0.020) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 (346.901, -95.929, -20.455) (346.888, -95.873, -20.204) ( 0.00, 0.06, 1.23) 254: bond ( 22.848, 82.013, -8.313) ( 22.850, 82.033, -8.313) ( 0.01, 0.02, 0.00) 254: angle ( 43.123, -11.220, 7.821) ( 43.127, -11.220, 7.821) ( 0.01, 0.00, 0.00) 254: torsion ( 2.724, -3.366, -25.736) ( 2.724, -3.366, -25.730) ( 0.00, 0.00, 0.02) 254: oop ( 0.108, -0.137, -1.058) ( 0.082, -0.105, -0.811) ( 0.28, 0.44, 23.28) 254: vdw (278.098, -163.217, 6.830) (278.106, -163.215, 6.829) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 28 # gradients 254: ok 29 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-163.075, -474.890, -57.206) (-163.047, -474.859, -57.180) ( 0.02, 0.01, 0.04) 254: bond ( 10.155, 19.969, 0.323) ( 10.175, 19.991, 0.338) ( 0.19, 0.11, 0.49) 254: angle (-166.513, -477.310, -56.180) (-166.506, -477.302, -56.172) ( 0.00, 0.00, 0.01) 254: torsion ( 7.010, -4.799, 10.158) ( 7.011, -4.798, 10.160) ( 0.02, 0.02, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-13.727, -12.750, -11.507) (-13.727, -12.750, -11.507) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-185.923, 62.793, 314.602) (-185.888, 62.822, 314.635) ( 0.02, 0.05, 0.01) 254: bond ( 28.291, -13.551, 9.130) ( 28.313, -13.535, 9.151) ( 0.08, 0.11, 0.23) 254: angle (-187.741, 52.878, 312.514) (-187.730, 52.889, 312.523) ( 0.01, 0.02, 0.00) 254: torsion (-17.771, 15.168, -1.323) (-17.770, 15.170, -1.320) ( 0.01, 0.02, 0.21) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.702, 8.298, -5.719) ( -8.702, 8.298, -5.719) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (145.042, 279.559, -217.864) (145.366, 274.911, -220.980) ( 0.22, 1.66, 1.43) 254: bond (-10.523, -16.759, 19.236) (-10.498, -16.741, 19.252) ( 0.24, 0.11, 0.08) 254: angle (141.977, 95.083, -322.895) (141.986, 95.092, -322.885) ( 0.01, 0.01, 0.00) 254: torsion ( 12.311, 190.496, 93.133) ( 12.311, 190.498, 93.135) ( 0.00, 0.00, 0.00) 254: oop ( -1.275, 9.366, 7.168) ( -0.986, 4.689, 4.023) (22.68, 49.94, 43.87) 254: vdw ( 2.553, 1.373, -14.505) ( 2.553, 1.373, -14.505) ( 0.01, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (-11.121, 280.261, 332.746) (-11.095, 280.289, 332.776) ( 0.24, 0.01, 0.01) 254: bond ( 3.052, -16.442, -9.180) ( 3.067, -16.423, -9.158) ( 0.51, 0.11, 0.24) 254: angle (-10.957, 275.042, 333.586) (-10.947, 275.050, 333.593) ( 0.08, 0.00, 0.00) 254: torsion ( 2.849, 6.311, -2.954) ( 2.851, 6.313, -2.954) ( 0.06, 0.03, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.066, 15.350, 11.294) ( -6.066, 15.350, 11.295) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (-407.180, -1026.420, -543.624) (-403.176, -1014.002, -526.936) ( 0.98, 1.21, 3.07) 254: bond ( 44.303, -89.317, -58.711) ( 44.329, -89.299, -58.699) ( 0.06, 0.02, 0.02) 254: angle (-180.234, -528.382, 114.838) (-180.225, -528.371, 114.849) ( 0.01, 0.00, 0.01) 254: torsion (-216.277, -471.062, -553.300) (-216.275, -471.062, -553.302) ( 0.00, 0.00, 0.00) 254: oop ( -9.806, -26.602, -41.203) ( -5.841, -14.216, -24.535) (40.44, 46.56, 40.45) 254: vdw (-45.164, 88.944, -5.248) (-45.164, 88.946, -5.248) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 (561.543, 698.044, 129.649) (556.715, 692.073, 124.218) ( 0.86, 0.86, 4.19) 254: bond (-28.103, -57.233, 82.338) (-28.077, -57.213, 82.346) ( 0.09, 0.04, 0.01) 254: angle (281.089, 416.870, -172.124) (281.096, 416.881, -172.117) ( 0.00, 0.00, 0.00) 254: torsion (240.406, 261.628, 254.450) (240.408, 261.630, 254.450) ( 0.00, 0.00, 0.00) 254: oop ( 14.615, 15.383, 18.011) ( 9.750, 9.378, 12.564) (33.29, 39.04, 30.25) 254: vdw ( 53.537, 61.395, -53.026) ( 53.537, 61.396, -53.025) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (-662.354, -111.205, 141.994) (-657.360, -112.857, 138.909) ( 0.75, 1.49, 2.17) 254: bond (-168.069, -26.034, 8.805) (-168.042, -26.012, 8.811) ( 0.02, 0.09, 0.07) 254: angle (-336.147, -93.011, 9.328) (-336.136, -93.002, 9.334) ( 0.00, 0.01, 0.07) 254: torsion (-252.846, -13.122, 139.543) (-252.846, -13.121, 139.537) ( 0.00, 0.01, 0.00) 254: oop (-15.508, 5.435, 12.366) (-10.554, 3.749, 9.275) (31.95, 31.02, 25.00) 254: vdw (110.216, 15.528, -28.048) (110.219, 15.529, -28.048) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (250.136, -518.519, 549.490) (247.415, -515.289, 546.478) ( 1.09, 0.62, 0.55) 254: bond ( 1.458, 71.116, 68.487) ( 1.475, 71.143, 68.499) ( 1.21, 0.04, 0.02) 254: angle (154.409, -485.366, 569.972) (154.424, -485.348, 569.983) ( 0.01, 0.00, 0.00) 254: torsion ( 34.783, -7.281, -106.662) ( 34.783, -7.282, -106.665) ( 0.00, 0.01, 0.00) 254: oop ( 10.990, -10.864, 8.861) ( 8.236, -7.681, 5.829) (25.06, 29.30, 34.22) 254: vdw ( 48.496, -86.123, 8.832) ( 48.497, -86.121, 8.832) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (439.497, 441.908, -1179.811) (434.517, 434.975, -1176.814) ( 1.13, 1.57, 0.25) 254: bond ( 61.002, 37.800, -126.985) ( 61.019, 37.811, -126.957) ( 0.03, 0.03, 0.02) 254: angle (488.272, 508.141, -851.857) (488.299, 508.158, -851.826) ( 0.01, 0.00, 0.00) 254: torsion (-69.212, -104.841, -271.849) (-69.215, -104.847, -271.852) ( 0.00, 0.01, 0.00) 254: oop ( 11.805, 20.515, -8.930) ( 6.784, 13.558, -5.990) (42.54, 33.91, 32.92) 254: vdw (-52.371, -19.707, 79.811) (-52.370, -19.705, 79.812) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (-310.545, -438.789, 1524.655) (-310.723, -442.223, 1511.710) ( 0.06, 0.78, 0.85) 254: bond ( 70.628, 28.998, 6.944) ( 70.646, 29.024, 6.955) ( 0.03, 0.09, 0.16) 254: angle (-393.833, -564.110, 1041.613) (-393.811, -564.068, 1041.665) ( 0.01, 0.01, 0.01) 254: torsion (107.997, 97.872, 391.223) (107.999, 97.871, 391.223) ( 0.00, 0.00, 0.00) 254: oop ( 1.581, 10.950, 33.987) ( 1.357, 7.451, 20.979) (14.16, 31.96, 38.27) 254: vdw (-96.918, -12.500, 50.888) (-96.915, -12.500, 50.888) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (425.491, 106.564, -171.779) (386.458, 106.281, -139.633) ( 9.17, 0.27, 18.71) 254: bond ( -9.197, 36.479, 4.844) ( -9.178, 36.501, 4.864) ( 0.21, 0.06, 0.39) 254: angle (256.003, 82.383, -340.147) (256.014, 82.397, -340.136) ( 0.00, 0.02, 0.00) 254: torsion (109.631, 15.471, 237.942) (109.634, 15.472, 237.944) ( 0.00, 0.01, 0.00) 254: oop ( 63.741, -19.452, -68.052) ( 24.674, -19.772, -35.939) (61.29, 1.65, 47.19) 254: vdw ( 5.314, -8.316, -6.366) ( 5.314, -8.316, -6.366) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (149.932, -39.572, -344.415) (149.960, -39.544, -344.384) ( 0.02, 0.07, 0.01) 254: bond ( -4.442, 1.405, 6.036) ( -4.425, 1.422, 6.058) ( 0.40, 1.19, 0.36) 254: angle (150.728, -38.064, -341.656) (150.736, -38.055, -341.647) ( 0.01, 0.02, 0.00) 254: torsion ( 2.661, 10.075, -1.921) ( 2.662, 10.077, -1.921) ( 0.05, 0.02, 0.03) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.986, -12.988, -6.874) ( 0.986, -12.988, -6.874) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 (-71.366, -3248.159, 6275.535) ( 18.746, -3255.267, 6213.962) (126.27, 0.22, 0.98) 254: bond (-24.751, -1.393, -11.881) (-24.732, -1.375, -11.844) ( 0.08, 1.31, 0.31) 254: angle ( 96.308, -3293.527, 6182.157) ( 96.347, -3293.377, 6182.697) ( 0.04, 0.00, 0.01) 254: torsion ( 35.429, -20.000, -40.923) ( 35.428, -19.999, -40.925) ( 0.00, 0.00, 0.01) 254: oop (-188.460, 78.650, 129.944) (-98.405, 71.374, 67.796) (47.78, 9.25, 47.83) 254: vdw ( 10.107, -11.890, 16.238) ( 10.108, -11.890, 16.238) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (-2429.877, -941.912, -3598.395) (-2440.493, -931.780, -3592.480) ( 0.44, 1.08, 0.16) 254: bond ( 5.843, 7.534, -6.324) ( 5.851, 7.567, -6.314) ( 0.13, 0.44, 0.16) 254: angle (-2494.865, -915.953, -3613.099) (-2494.774, -915.935, -3612.911) ( 0.00, 0.00, 0.01) 254: torsion ( 12.549, 10.708, 27.711) ( 12.517, 10.708, 27.682) ( 0.25, 0.00, 0.10) 254: oop ( 38.865, -36.829, -21.148) ( 28.182, -26.749, -15.402) (27.49, 27.37, 27.17) 254: vdw ( 7.730, -7.371, 14.464) ( 7.730, -7.371, 14.465) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 (2275.150, 4110.172, -2528.710) (2235.661, 4108.150, -2502.586) ( 1.74, 0.05, 1.03) 254: bond ( -0.918, -0.369, -1.437) ( -0.909, -0.368, -1.414) ( 0.86, 0.06, 1.58) 254: angle (2212.532, 4119.830, -2494.022) (2212.617, 4120.053, -2493.951) ( 0.00, 0.01, 0.00) 254: torsion (-23.370, 9.163, 12.638) (-23.369, 9.163, 12.639) ( 0.00, 0.00, 0.00) 254: oop ( 82.164, -23.441, -46.720) ( 42.580, -25.687, -20.690) (48.18, 9.58, 55.71) 254: vdw ( 4.741, 4.990, 0.830) ( 4.742, 4.990, 0.830) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 ( 29.563, 159.802, -18.007) ( 29.576, 159.805, -18.005) ( 0.05, 0.00, 0.01) 254: bond ( 9.037, -1.524, -0.203) ( 9.050, -1.524, -0.203) ( 0.15, 0.03, 0.00) 254: angle ( 28.049, 169.417, -21.211) ( 28.049, 169.420, -21.210) ( 0.00, 0.00, 0.01) 254: torsion ( 0.210, 0.398, 6.373) ( 0.210, 0.398, 6.374) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -7.733, -8.489, -2.966) ( -7.733, -8.489, -2.966) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (110.511, 89.033, -82.861) (110.514, 89.041, -82.852) ( 0.00, 0.01, 0.01) 254: bond ( 0.003, 1.672, 1.773) ( 0.003, 1.679, 1.780) ( 0.00, 0.39, 0.41) 254: angle (113.837, 88.441, -83.579) (113.839, 88.441, -83.577) ( 0.00, 0.00, 0.00) 254: torsion ( -2.557, 1.919, -1.806) ( -2.557, 1.919, -1.805) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.771, -2.999, 0.751) ( -0.771, -2.998, 0.751) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (164.360, 93.375, 89.660) (164.363, 93.382, 89.669) ( 0.00, 0.01, 0.01) 254: bond ( 0.190, 3.711, -4.053) ( 0.190, 3.718, -4.045) ( 0.00, 0.17, 0.19) 254: angle (165.611, 99.178, 98.925) (165.613, 99.178, 98.927) ( 0.00, 0.00, 0.00) 254: torsion ( 3.499, -3.086, -2.672) ( 3.499, -3.086, -2.672) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.940, -6.429, -2.540) ( -4.939, -6.429, -2.540) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 ( 23.106, 96.329, 38.306) ( 23.112, 96.336, 38.316) ( 0.02, 0.01, 0.03) 254: bond ( 3.354, -4.340, 8.483) ( 3.355, -4.337, 8.493) ( 0.05, 0.06, 0.12) 254: angle ( 24.599, 88.887, 35.672) ( 24.602, 88.890, 35.672) ( 0.01, 0.00, 0.00) 254: torsion ( 9.356, -0.208, -3.802) ( 9.357, -0.207, -3.802) ( 0.01, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-14.202, 11.990, -2.047) (-14.202, 11.990, -2.047) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 (106.847, 7.352, -6.537) (106.852, 7.358, -6.526) ( 0.00, 0.08, 0.17) 254: bond ( 0.265, 10.534, 16.212) ( 0.265, 10.538, 16.222) ( 0.00, 0.04, 0.06) 254: angle (116.143, 9.693, -8.196) (116.147, 9.694, -8.196) ( 0.00, 0.01, 0.01) 254: torsion (-14.500, -13.124, 8.762) (-14.500, -13.123, 8.762) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 4.940, 0.249, -23.314) ( 4.940, 0.249, -23.314) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (-53.936, 9.882, -76.119) (-53.930, 9.894, -76.116) ( 0.01, 0.13, 0.00) 254: bond ( -3.527, -8.677, 1.493) ( -3.525, -8.666, 1.493) ( 0.06, 0.13, 0.03) 254: angle (-62.327, 13.662, -67.852) (-62.324, 13.663, -67.850) ( 0.00, 0.00, 0.00) 254: torsion ( 9.678, -4.462, -3.046) ( 9.678, -4.462, -3.046) ( 0.00, 0.00, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 2.240, 9.359, -6.714) ( 2.241, 9.359, -6.713) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (-78.890, -72.710, -158.807) (-78.878, -72.707, -158.804) ( 0.02, 0.00, 0.00) 254: bond ( 3.533, -1.023, -1.278) ( 3.545, -1.022, -1.276) ( 0.32, 0.09, 0.12) 254: angle (-82.209, -82.772, -162.066) (-82.208, -82.771, -162.064) ( 0.00, 0.00, 0.00) 254: torsion ( 0.249, 2.761, -1.520) ( 0.249, 2.761, -1.519) ( 0.00, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.463, 8.324, 6.056) ( -0.463, 8.325, 6.056) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( 54.476, -88.167, -69.420) ( 54.480, -88.162, -69.409) ( 0.01, 0.01, 0.02) 254: bond ( -3.009, 4.808, -9.022) ( -3.008, 4.811, -9.012) ( 0.04, 0.06, 0.11) 254: angle ( 60.074, -98.874, -72.827) ( 60.076, -98.872, -72.827) ( 0.00, 0.00, 0.00) 254: torsion ( -1.594, -0.810, 0.099) ( -1.594, -0.810, 0.099) ( 0.03, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.995, 6.710, 12.331) ( -0.995, 6.710, 12.331) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( 78.432, -9.054, -127.914) ( 78.437, -9.043, -127.911) ( 0.01, 0.13, 0.00) 254: bond ( 0.761, 1.681, 0.278) ( 0.763, 1.693, 0.278) ( 0.17, 0.67, 0.01) 254: angle ( 80.775, -14.566, -132.840) ( 80.777, -14.566, -132.837) ( 0.00, 0.00, 0.00) 254: torsion ( 0.481, -0.260, 0.258) ( 0.482, -0.259, 0.258) ( 0.02, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.585, 4.090, 4.389) ( -3.585, 4.090, 4.389) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 (-51.535, 44.398, 45.791) (-51.131, 44.805, 46.918) ( 0.78, 0.92, 2.46) 254: bond ( -5.493, -9.604, 5.333) ( -5.490, -9.595, 5.336) ( 0.06, 0.10, 0.05) 254: angle (-27.870, 8.136, -14.040) (-27.867, 8.137, -14.040) ( 0.01, 0.01, 0.00) 254: torsion (-20.060, 46.688, 63.308) (-20.060, 46.688, 63.309) ( 0.00, 0.00, 0.00) 254: oop ( -2.278, -2.485, -6.811) ( -1.880, -2.088, -5.689) (17.47, 15.96, 16.48) 254: vdw ( 4.166, 1.663, -1.999) ( 4.167, 1.663, -1.999) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 (139.004, -88.908, -249.742) (137.065, -87.642, -246.362) ( 1.39, 1.42, 1.35) 254: bond ( -4.791, -1.212, -2.309) ( -4.779, -1.211, -2.306) ( 0.24, 0.06, 0.12) 254: angle ( -5.602, -26.885, 25.728) ( -5.602, -26.882, 25.729) ( 0.00, 0.01, 0.00) 254: torsion (141.462, -55.192, -264.132) (141.462, -55.192, -264.135) ( 0.00, 0.00, 0.00) 254: oop ( 5.926, -3.391, -10.499) ( 3.975, -2.129, -7.119) (32.92, 37.22, 32.19) 254: vdw ( 2.008, -2.228, 1.470) ( 2.008, -2.228, 1.470) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 (-100.572, -46.189, 20.393) (-97.540, -41.908, 19.841) ( 3.01, 9.27, 2.70) 254: bond ( -2.799, 0.425, -11.770) ( -2.798, 0.426, -11.755) ( 0.03, 0.00, 0.12) 254: angle (-15.348, 37.830, 5.022) (-15.346, 37.831, 5.022) ( 0.01, 0.00, 0.00) 254: torsion (-75.920, -74.809, 15.364) (-75.922, -74.812, 15.364) ( 0.00, 0.00, 0.00) 254: oop ( -7.652, -11.933, 1.389) ( -4.622, -7.649, 0.823) (39.60, 35.90, 40.75) 254: vdw ( 1.147, 2.297, 10.387) ( 1.147, 2.297, 10.387) ( 0.02, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 (-336.241, 574.483, -339.541) (-334.757, 575.588, -337.085) ( 0.44, 0.19, 0.72) 254: bond ( 3.945, 0.719, -2.690) ( 3.955, 0.720, -2.685) ( 0.25, 0.03, 0.17) 254: angle (-310.864, 492.121, -326.047) (-310.851, 492.147, -326.037) ( 0.00, 0.01, 0.00) 254: torsion (-22.615, 92.362, -8.563) (-22.615, 92.362, -8.562) ( 0.00, 0.00, 0.01) 254: oop ( -4.712, -5.306, -8.363) ( -3.252, -4.227, -5.923) (30.98, 20.34, 29.17) 254: vdw ( -1.995, -5.414, 6.122) ( -1.995, -5.413, 6.122) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 (-15.151, 2.263, 81.298) (-15.139, 2.270, 81.302) ( 0.08, 0.34, 0.00) 254: bond ( 19.096, 11.184, 2.759) ( 19.107, 11.188, 2.759) ( 0.05, 0.03, 0.01) 254: angle (-18.411, 8.591, 92.628) (-18.410, 8.594, 92.630) ( 0.01, 0.03, 0.00) 254: torsion ( -8.884, 12.396, 11.251) ( -8.884, 12.397, 11.251) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.952, -29.909, -25.340) ( -6.952, -29.908, -25.339) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 (-41.569, -30.088, 123.256) (-41.566, -30.074, 123.259) ( 0.01, 0.05, 0.00) 254: bond ( -0.641, 4.990, 0.937) ( -0.641, 5.004, 0.937) ( 0.02, 0.26, 0.05) 254: angle (-51.949, -30.836, 129.092) (-51.947, -30.835, 129.094) ( 0.00, 0.00, 0.00) 254: torsion ( 7.939, 0.218, 4.263) ( 7.940, 0.218, 4.263) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.082, -4.461, -11.036) ( 3.082, -4.461, -11.036) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-92.387, 60.898, 62.401) (-92.381, 60.901, 62.412) ( 0.01, 0.01, 0.02) 254: bond ( 2.122, -1.132, 4.187) ( 2.125, -1.131, 4.197) ( 0.13, 0.07, 0.25) 254: angle (-96.594, 67.358, 67.047) (-96.591, 67.360, 67.047) ( 0.00, 0.00, 0.00) 254: torsion ( -1.211, -2.108, 0.045) ( -1.211, -2.108, 0.045) ( 0.01, 0.02, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.296, -3.220, -8.878) ( 3.296, -3.220, -8.878) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 ( 1.956, 69.960, 117.238) ( 1.968, 69.963, 117.241) ( 0.62, 0.01, 0.00) 254: bond ( -3.614, -1.283, 0.787) ( -3.602, -1.282, 0.788) ( 0.33, 0.12, 0.05) 254: angle ( 2.595, 69.724, 125.283) ( 2.595, 69.726, 125.285) ( 0.01, 0.00, 0.00) 254: torsion ( -1.096, 2.248, -1.352) ( -1.096, 2.249, -1.352) ( 0.01, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 4.071, -0.730, -7.481) ( 4.071, -0.730, -7.481) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 ( 55.911, -53.509, -77.574) ( 55.901, -53.490, -77.584) ( 0.02, 0.04, 0.01) 254: bond ( 2.467, 6.482, -2.894) ( 2.470, 6.500, -2.890) ( 0.11, 0.29, 0.13) 254: angle ( 68.061, -54.217, -63.765) ( 68.059, -54.217, -63.767) ( 0.00, 0.00, 0.00) 254: torsion (-10.559, -0.725, -10.654) (-10.569, -0.725, -10.664) ( 0.10, 0.00, 0.10) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -4.059, -5.049, -0.262) ( -4.059, -5.049, -0.262) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 30 # gradients 254: ok 31 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 ( 76.598, -137.678, -29.141) ( 76.810, -137.346, -29.823) ( 0.28, 0.24, 2.34) 254: bond ( 90.698, 4.504, 26.887) ( 90.717, 4.522, 26.905) ( 0.02, 0.40, 0.07) 254: angle ( 1.623, -114.544, -45.076) ( 1.632, -114.533, -45.068) ( 0.56, 0.01, 0.02) 254: torsion ( -0.161, 1.696, 0.297) ( -0.162, 1.695, 0.296) ( 0.00, 0.09, 0.02) 254: oop ( -1.255, -2.021, 4.821) ( -1.071, -1.717, 4.113) (14.66, 15.01, 14.68) 254: vdw (-14.307, -27.313, -16.070) (-14.307, -27.312, -16.070) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-152.928, 235.846, 12.867) (-153.710, 234.463, 16.343) ( 0.51, 0.59, 27.02) 254: bond ( 18.688, 120.062, 50.687) ( 18.719, 120.102, 50.695) ( 0.16, 0.03, 0.02) 254: angle (-160.218, 103.423, 16.382) (-160.193, 103.435, 16.386) ( 0.02, 0.01, 0.03) 254: torsion ( 5.513, 10.248, -27.387) ( 5.513, 10.248, -27.383) ( 0.00, 0.00, 0.01) 254: oop ( 4.728, 8.056, -19.476) ( 3.891, 6.620, -16.015) (17.71, 17.82, 17.77) 254: vdw (-21.640, -5.943, -7.340) (-21.639, -5.943, -7.340) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-20.273, -42.385, 1.840) (-20.269, -42.372, 1.841) ( 0.02, 0.03, 0.07) 254: bond (-14.015, -41.334, 3.370) (-14.014, -41.322, 3.369) ( 0.01, 0.03, 0.00) 254: angle ( 3.142, -1.541, -5.821) ( 3.144, -1.541, -5.819) ( 0.08, 0.02, 0.04) 254: torsion ( -1.299, 0.808, 4.512) ( -1.299, 0.808, 4.511) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.100, -0.318, -0.220) ( -8.100, -0.318, -0.220) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (-39.832, 20.635, 23.062) (-39.825, 20.640, 23.068) ( 0.02, 0.03, 0.03) 254: bond (-24.926, 24.974, 25.987) (-24.922, 24.978, 25.992) ( 0.02, 0.02, 0.02) 254: angle ( 15.098, 9.421, 5.421) ( 15.099, 9.423, 5.422) ( 0.01, 0.02, 0.03) 254: torsion ( 0.391, 2.228, -1.766) ( 0.391, 2.227, -1.766) ( 0.00, 0.02, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-30.394, -15.988, -6.580) (-30.393, -15.988, -6.581) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 ( -7.315, 8.380, -46.059) ( -7.312, 8.382, -46.046) ( 0.04, 0.03, 0.03) 254: bond ( -4.168, 14.030, -42.962) ( -4.168, 14.031, -42.950) ( 0.00, 0.01, 0.03) 254: angle ( -2.135, -0.984, -0.114) ( -2.132, -0.982, -0.114) ( 0.13, 0.17, 0.00) 254: torsion ( 0.677, -4.782, -1.628) ( 0.677, -4.782, -1.628) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.689, 0.115, -1.355) ( -1.689, 0.115, -1.355) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 4.958, 25.627, 23.772) ( 5.299, 26.233, 22.406) ( 6.88, 2.36, 5.74) 254: bond (-21.244, 25.105, 5.717) (-21.230, 25.124, 5.718) ( 0.06, 0.08, 0.02) 254: angle ( 48.589, 35.818, 23.035) ( 48.594, 35.820, 23.036) ( 0.01, 0.01, 0.01) 254: torsion ( 0.668, 0.795, -1.016) ( 0.668, 0.796, -1.015) ( 0.00, 0.01, 0.08) 254: oop ( -1.540, -2.789, 6.534) ( -1.219, -2.206, 5.165) (20.84, 20.91, 20.95) 254: vdw (-21.515, -33.302, -10.497) (-21.514, -33.301, -10.497) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (334.388, -338.993, 147.058) (335.030, -337.932, 144.745) ( 0.19, 0.31, 1.57) 254: bond (245.959, -148.392, 15.324) (245.992, -148.360, 15.334) ( 0.01, 0.02, 0.06) 254: angle (112.192, -138.270, -14.395) (112.209, -138.258, -14.391) ( 0.02, 0.01, 0.03) 254: torsion (-32.536, -52.538, 128.814) (-32.536, -52.537, 128.821) ( 0.00, 0.00, 0.01) 254: oop ( -3.401, -6.088, 13.818) ( -2.811, -5.072, 11.483) (17.33, 16.68, 16.89) 254: vdw ( 12.174, 6.296, 3.499) ( 12.175, 6.296, 3.499) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 ( -8.811, 126.417, -29.683) ( -8.901, 126.178, -29.189) ( 1.03, 0.19, 1.66) 254: bond (-53.853, 48.848, 13.498) (-53.841, 48.858, 13.499) ( 0.02, 0.02, 0.00) 254: angle ( 9.070, 9.509, 1.761) ( 9.073, 9.511, 1.763) ( 0.03, 0.02, 0.07) 254: torsion ( 11.812, 29.617, -60.086) ( 11.812, 29.617, -60.084) ( 0.00, 0.00, 0.00) 254: oop ( 0.707, 1.694, -3.314) ( 0.601, 1.442, -2.824) ( 7.48, 14.87, 14.78) 254: vdw ( 23.453, 36.748, 18.458) ( 23.454, 36.749, 18.458) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-1129.448, 408.109, 803.258) (-1125.406, 411.794, 805.177) ( 0.36, 0.90, 0.24) 254: bond (-103.997, -219.107, -21.476) (-103.967, -219.084, -21.459) ( 0.03, 0.01, 0.08) 254: angle (-985.550, 675.773, 895.974) (-985.487, 675.798, 896.010) ( 0.01, 0.00, 0.00) 254: torsion (-26.441, -47.964, -67.461) (-26.439, -47.965, -67.460) ( 0.01, 0.00, 0.00) 254: oop (-14.976, -16.611, -10.251) (-11.030, -12.972, -8.386) (26.35, 21.91, 18.19) 254: vdw ( 1.516, 16.018, 6.470) ( 1.516, 16.018, 6.470) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 ( 8.029, -76.726, 190.394) ( 9.000, -73.463, 192.664) (12.09, 4.25, 1.19) 254: bond ( 15.804, -6.508, 213.853) ( 15.823, -6.489, 213.880) ( 0.12, 0.29, 0.01) 254: angle ( 9.137, -63.701, 54.991) ( 9.152, -63.687, 55.003) ( 0.17, 0.02, 0.02) 254: torsion (-28.028, -14.619, -75.931) (-28.027, -14.619, -75.931) ( 0.00, 0.00, 0.00) 254: oop ( -2.980, -7.720, -5.117) ( -2.045, -4.489, -2.888) (31.36, 41.85, 43.56) 254: vdw ( 14.096, 15.821, 2.599) ( 14.097, 15.821, 2.599) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (544.685, -647.845, 1144.815) (544.894, -657.097, 1142.418) ( 0.04, 1.43, 0.21) 254: bond (-40.591, 144.077, -20.199) (-40.554, 144.089, -20.173) ( 0.09, 0.01, 0.13) 254: angle (535.295, -1038.003, 1214.776) (535.321, -1037.947, 1214.846) ( 0.00, 0.01, 0.01) 254: torsion ( 63.501, 230.066, -53.972) ( 63.502, 230.066, -53.971) ( 0.00, 0.00, 0.00) 254: oop ( -7.658, 9.010, 0.631) ( -7.513, -0.311, -1.864) ( 1.89, 103.45, 157.50) 254: vdw ( -5.862, 7.006, 3.579) ( -5.862, 7.006, 3.579) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-25.017, -39.696, -27.520) (-25.013, -39.690, -27.509) ( 0.02, 0.01, 0.04) 254: bond ( -6.707, -23.865, -40.222) ( -6.707, -23.862, -40.212) ( 0.00, 0.01, 0.02) 254: angle (-28.615, -11.370, 11.517) (-28.612, -11.367, 11.518) ( 0.01, 0.02, 0.01) 254: torsion ( -9.304, -13.104, 9.328) ( -9.303, -13.104, 9.328) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 19.609, 8.643, -8.142) ( 19.610, 8.643, -8.142) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 ( 14.290, -30.906, 7.031) ( 14.305, -30.891, 7.038) ( 0.10, 0.05, 0.10) 254: bond ( 22.217, -114.854, 49.575) ( 22.229, -114.844, 49.577) ( 0.05, 0.01, 0.01) 254: angle (-20.686, 71.228, -58.832) (-20.684, 71.233, -58.828) ( 0.01, 0.01, 0.01) 254: torsion ( 13.827, 0.411, 30.482) ( 13.827, 0.411, 30.482) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.068, 12.309, -14.194) ( -1.067, 12.309, -14.194) ( 0.06, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (450.743, 515.255, -2323.120) (436.192, 499.530, -2328.636) ( 3.23, 3.05, 0.24) 254: bond ( 50.241, 79.598, -257.048) ( 50.261, 79.608, -256.999) ( 0.04, 0.01, 0.02) 254: angle (369.051, 422.919, -2133.459) (369.088, 422.948, -2133.288) ( 0.01, 0.01, 0.01) 254: torsion ( 28.006, -43.443, 37.340) ( 28.009, -43.441, 37.342) ( 0.01, 0.00, 0.00) 254: oop ( 50.745, 61.195, 23.986) ( 36.133, 45.430, 18.249) (28.80, 25.76, 23.92) 254: vdw (-47.301, -5.015, 6.060) (-47.300, -5.015, 6.061) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( 51.105, 27.669, 35.997) ( 51.110, 27.681, 36.000) ( 0.01, 0.05, 0.01) 254: bond ( 1.170, 30.496, 9.172) ( 1.170, 30.509, 9.173) ( 0.01, 0.04, 0.01) 254: angle ( 49.658, -2.031, 0.416) ( 49.663, -2.031, 0.418) ( 0.01, 0.01, 0.09) 254: torsion ( 2.337, -6.343, 20.800) ( 2.338, -6.343, 20.800) ( 0.02, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -2.061, 5.547, 5.609) ( -2.060, 5.547, 5.609) ( 0.02, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 ( 17.575, 15.812, 76.004) ( 27.725, 27.937, 79.728) (57.75, 76.69, 4.90) 254: bond (-11.511, -7.156, 55.081) (-11.510, -7.156, 55.112) ( 0.01, 0.00, 0.06) 254: angle ( 72.532, 34.099, 19.577) ( 72.536, 34.101, 19.577) ( 0.01, 0.01, 0.00) 254: torsion ( -1.053, 22.384, 2.687) ( -1.052, 22.384, 2.687) ( 0.08, 0.00, 0.00) 254: oop (-25.920, -32.157, -9.588) (-15.777, -20.034, -5.896) (39.13, 37.70, 38.51) 254: vdw (-16.473, -1.358, 8.248) (-16.473, -1.358, 8.248) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-124.436, 149.496, -73.657) (-124.401, 149.529, -73.624) ( 0.03, 0.02, 0.05) 254: bond (-54.298, 27.135, -21.123) (-54.277, 27.153, -21.103) ( 0.04, 0.07, 0.09) 254: angle (-55.131, 89.961, -34.878) (-55.117, 89.975, -34.865) ( 0.03, 0.02, 0.04) 254: torsion (-16.136, 28.776, -14.773) (-16.135, 28.777, -14.772) ( 0.01, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.128, 3.624, -2.884) ( 1.128, 3.624, -2.884) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (-116.990, -319.865, -110.155) (-116.611, -313.758, -110.031) ( 0.32, 1.91, 0.11) 254: bond (-13.024, -77.021, -88.008) (-12.998, -77.001, -87.986) ( 0.20, 0.03, 0.02) 254: angle (-117.161, -96.461, -91.911) (-117.145, -96.444, -91.894) ( 0.01, 0.02, 0.02) 254: torsion ( 15.485, -125.268, 65.785) ( 15.484, -125.267, 65.785) ( 0.00, 0.00, 0.00) 254: oop ( -3.885, -13.509, 2.412) ( -3.548, -7.439, 2.497) ( 8.67, 44.93, 3.51) 254: vdw ( 1.595, -7.606, 1.567) ( 1.595, -7.606, 1.567) ( 0.04, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 ( 3.054, -23.873, 4.399) ( 3.084, -23.844, 4.428) ( 0.96, 0.12, 0.68) 254: bond (-38.663, 58.600, 73.249) (-38.645, 58.618, 73.268) ( 0.05, 0.03, 0.03) 254: angle ( 39.290, -91.035, -16.476) ( 39.300, -91.026, -16.467) ( 0.02, 0.01, 0.06) 254: torsion (-13.830, 1.214, -8.197) (-13.828, 1.216, -8.196) ( 0.01, 0.09, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 16.257, 7.348, -44.177) ( 16.257, 7.348, -44.176) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 ( 24.770, -40.809, 19.275) ( 24.799, -40.780, 19.305) ( 0.12, 0.07, 0.15) 254: bond (-65.790, -42.791, -42.397) (-65.771, -42.772, -42.379) ( 0.03, 0.04, 0.04) 254: angle ( 59.888, 6.868, 55.833) ( 59.898, 6.877, 55.842) ( 0.02, 0.13, 0.02) 254: torsion ( 14.868, -26.408, 5.091) ( 14.869, -26.407, 5.093) ( 0.00, 0.00, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 15.803, 21.522, 0.748) ( 15.803, 21.523, 0.748) ( 0.00, 0.00, 0.02) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (175.072, 307.178, 222.264) (171.760, 306.584, 225.028) ( 1.89, 0.19, 1.24) 254: bond (-18.691, 91.685, -4.967) (-18.677, 91.723, -4.945) ( 0.08, 0.04, 0.46) 254: angle (177.843, 227.696, 192.642) (177.853, 227.714, 192.653) ( 0.01, 0.01, 0.01) 254: torsion ( 15.791, 8.817, 10.030) ( 15.789, 8.817, 10.029) ( 0.01, 0.00, 0.01) 254: oop ( 18.033, 3.483, -15.083) ( 14.697, 2.832, -12.352) (18.50, 18.67, 18.10) 254: vdw (-17.903, -24.503, 39.642) (-17.902, -24.502, 39.643) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 ( 1.947, 34.327, 35.635) ( 1.953, 34.333, 35.647) ( 0.28, 0.02, 0.03) 254: bond ( -1.983, 13.556, 23.274) ( -1.983, 13.560, 23.284) ( 0.00, 0.03, 0.04) 254: angle ( 23.714, 18.764, -8.910) ( 23.718, 18.767, -8.909) ( 0.02, 0.01, 0.01) 254: torsion (-41.237, -3.500, -1.473) (-41.237, -3.500, -1.473) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 21.453, 5.506, 22.745) ( 21.455, 5.507, 22.745) ( 0.01, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 (-95.827, -365.974, -154.353) (-95.148, -365.799, -154.908) ( 0.71, 0.05, 0.36) 254: bond ( -0.397, -74.774, -11.245) ( -0.385, -74.751, -11.230) ( 0.50, 0.03, 0.13) 254: angle (-97.730, -272.875, -154.775) (-97.726, -272.862, -154.770) ( 0.00, 0.00, 0.00) 254: torsion ( -1.280, -0.075, 1.110) ( -1.279, -0.075, 1.111) ( 0.04, 0.00, 0.03) 254: oop ( -5.427, -1.063, 4.722) ( -4.765, -0.925, 4.146) (12.21, 12.95, 12.20) 254: vdw ( 9.007, -17.186, 5.835) ( 9.007, -17.185, 5.835) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 ( 19.888, -34.478, 16.641) ( 19.895, -34.471, 16.646) ( 0.04, 0.02, 0.03) 254: bond ( 24.111, -23.901, 16.691) ( 24.116, -23.896, 16.693) ( 0.02, 0.02, 0.02) 254: angle (-12.220, -17.328, -7.151) (-12.218, -17.326, -7.150) ( 0.01, 0.01, 0.02) 254: torsion ( -0.732, 0.033, 1.104) ( -0.732, 0.033, 1.104) ( 0.01, 0.00, 0.04) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 8.729, 6.718, 5.998) ( 8.729, 6.718, 5.998) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 10.450, 21.570, -36.828) ( 10.456, 21.576, -36.821) ( 0.06, 0.03, 0.02) 254: bond ( 19.250, 20.288, -23.061) ( 19.254, 20.292, -23.056) ( 0.02, 0.02, 0.02) 254: angle (-17.588, -6.430, -20.346) (-17.587, -6.429, -20.345) ( 0.01, 0.02, 0.01) 254: torsion ( 0.083, -0.103, -0.020) ( 0.084, -0.103, -0.020) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 8.706, 7.816, 6.600) ( 8.706, 7.816, 6.600) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 (-28.753, 26.112, 20.990) (-28.749, 26.119, 20.998) ( 0.02, 0.03, 0.04) 254: bond (-13.126, 21.965, 25.899) (-13.124, 21.970, 25.906) ( 0.01, 0.02, 0.03) 254: angle (-26.990, -6.648, -8.036) (-26.987, -6.647, -8.035) ( 0.01, 0.02, 0.01) 254: torsion ( -0.164, 1.531, -1.382) ( -0.164, 1.531, -1.382) ( 0.00, 0.02, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 11.526, 9.265, 4.509) ( 11.526, 9.265, 4.509) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 ( 20.537, -29.022, 23.780) ( 20.545, -29.015, 23.784) ( 0.04, 0.03, 0.02) 254: bond ( 24.834, -23.991, 13.351) ( 24.840, -23.986, 13.352) ( 0.02, 0.02, 0.01) 254: angle ( -6.292, 6.628, 23.610) ( -6.291, 6.629, 23.612) ( 0.02, 0.02, 0.01) 254: torsion ( -6.259, -5.825, 1.181) ( -6.259, -5.824, 1.181) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 8.254, -5.834, -14.362) ( 8.254, -5.834, -14.362) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 (-43.374, -6.951, -15.471) (-43.366, -6.946, -15.466) ( 0.02, 0.08, 0.03) 254: bond (-26.465, -20.050, -18.073) (-26.458, -20.046, -18.070) ( 0.03, 0.02, 0.02) 254: angle (-22.465, 13.906, 17.462) (-22.463, 13.907, 17.463) ( 0.01, 0.01, 0.01) 254: torsion ( -1.086, 6.316, -5.417) ( -1.086, 6.316, -5.417) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 6.642, -7.123, -9.443) ( 6.642, -7.123, -9.443) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( 15.948, 34.448, -19.332) ( 15.953, 34.454, -19.324) ( 0.03, 0.02, 0.04) 254: bond ( 16.798, 19.680, -23.891) ( 16.801, 19.684, -23.884) ( 0.02, 0.02, 0.03) 254: angle (-10.822, 23.211, 11.518) (-10.821, 23.214, 11.520) ( 0.01, 0.01, 0.01) 254: torsion ( 5.216, -0.584, 3.188) ( 5.217, -0.584, 3.188) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 4.757, -7.860, -10.148) ( 4.757, -7.860, -10.147) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 (163.604, 126.954, 197.382) (163.610, 126.977, 197.389) ( 0.00, 0.02, 0.00) 254: bond (-17.713, 74.435, -9.634) (-17.711, 74.458, -9.633) ( 0.01, 0.03, 0.01) 254: angle (116.974, 46.100, 141.246) (116.977, 46.100, 141.250) ( 0.00, 0.00, 0.00) 254: torsion ( 6.965, 0.874, -6.054) ( 6.965, 0.874, -6.054) ( 0.01, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 57.378, 5.546, 71.824) ( 57.379, 5.546, 71.826) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-145.350, 50.635, -141.965) (-143.708, 50.990, -143.276) ( 1.13, 0.70, 0.92) 254: bond ( 1.016, 4.265, 2.313) ( 1.017, 4.290, 2.320) ( 0.14, 0.59, 0.32) 254: angle (-79.797, 65.627, -86.381) (-79.793, 65.629, -86.377) ( 0.00, 0.00, 0.00) 254: torsion ( -5.607, -1.263, 4.795) ( -5.607, -1.263, 4.794) ( 0.01, 0.00, 0.01) 254: oop ( -7.179, -1.487, 5.896) ( -5.542, -1.159, 4.573) (22.81, 22.04, 22.44) 254: vdw (-53.784, -16.507, -68.588) (-53.783, -16.507, -68.586) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 32 # gradients 254: ok 33 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 ( 58.134, -10.875, -0.081) ( 58.181, -10.849, -0.045) ( 0.08, 0.25, 0.29) 254: bond ( 73.768, -13.768, 0.023) ( 73.796, -13.759, 0.044) ( 0.04, 0.07, 0.05) 254: angle ( 49.990, -9.420, -0.117) ( 50.007, -9.416, -0.108) ( 0.03, 0.05, 0.11) 254: torsion ( 0.011, 0.023, -0.030) ( 0.011, 0.036, -0.024) ( 0.00, 0.03, 0.02) 254: oop ( 0.000, 0.002, -0.002) ( 0.000, 0.002, -0.001) ( 0.00, 0.00, 0.00) 254: vdw (-65.635, 12.288, 0.045) (-65.634, 12.288, 0.045) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 ( 17.936, -8.798, 14.818) ( 17.982, -8.750, 14.845) ( 0.26, 0.55, 0.18) 254: bond ( 92.410, -51.103, -50.286) ( 92.439, -51.094, -50.266) ( 0.03, 0.02, 0.04) 254: angle (-30.881, 18.740, 19.424) (-30.868, 18.746, 19.435) ( 0.04, 0.03, 0.06) 254: torsion ( -1.948, -10.270, 6.861) ( -1.947, -10.256, 6.867) ( 0.03, 0.13, 0.09) 254: oop ( -0.022, -0.118, 0.078) ( -0.019, -0.099, 0.066) ( 0.01, 0.23, 0.10) 254: vdw (-41.623, 33.953, 38.741) (-41.622, 33.954, 38.742) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 ( 15.352, -1.265, -23.223) ( 15.386, -1.280, -23.156) ( 0.22, 1.16, 0.29) 254: bond ( 13.918, -47.527, -68.607) ( 13.946, -47.517, -68.587) ( 0.20, 0.02, 0.03) 254: angle (-38.335, 4.459, -1.411) (-38.321, 4.465, -1.400) ( 0.04, 0.13, 0.81) 254: torsion ( 2.965, 11.890, -8.461) ( 2.966, 11.904, -8.455) ( 0.02, 0.11, 0.07) 254: oop ( 0.050, 0.265, -0.177) ( 0.041, 0.221, -0.147) ( 0.04, 1.17, 0.53) 254: vdw ( 36.754, 29.647, 55.432) ( 36.754, 29.648, 55.433) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 (-40.712, 7.792, 0.007) (-40.667, 7.823, 0.043) ( 0.11, 0.40, 0.03) 254: bond (-109.736, 20.629, 0.231) (-109.709, 20.639, 0.252) ( 0.02, 0.05, 0.48) 254: angle ( 17.485, -3.318, -0.068) ( 17.501, -3.312, -0.059) ( 0.09, 0.20, 0.06) 254: torsion ( -0.039, 0.145, -0.122) ( -0.038, 0.157, -0.115) ( 0.00, 0.17, 0.08) 254: oop ( -0.002, -0.010, 0.005) ( -0.001, -0.008, 0.005) ( 0.00, 0.00, 0.00) 254: vdw ( 51.579, -9.654, -0.040) ( 51.581, -9.653, -0.039) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 ( 14.400, -3.793, 22.280) ( 14.450, -3.723, 22.291) ( 0.34, 1.86, 0.05) 254: bond ( 29.904, 39.139, 68.212) ( 29.932, 39.148, 68.232) ( 0.09, 0.02, 0.03) 254: angle (-37.521, 9.674, 1.433) (-37.508, 9.680, 1.444) ( 0.03, 0.07, 0.80) 254: torsion ( -1.400, -11.441, 7.947) ( -1.399, -11.427, 7.953) ( 0.03, 0.12, 0.08) 254: oop ( -0.045, -0.241, 0.160) ( -0.037, -0.200, 0.133) ( 0.03, 0.98, 0.42) 254: vdw ( 23.462, -40.924, -55.472) ( 23.462, -40.924, -55.471) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 20.073, 0.769, -14.669) ( 20.113, 0.780, -14.618) ( 0.20, 0.86, 0.34) 254: bond (104.923, 13.970, 49.896) (104.952, 13.980, 49.916) ( 0.03, 0.07, 0.04) 254: angle (-35.503, -6.310, -19.372) (-35.489, -6.305, -19.361) ( 0.04, 0.08, 0.06) 254: torsion ( 1.762, 9.580, -6.418) ( 1.763, 9.594, -6.412) ( 0.02, 0.14, 0.09) 254: oop ( 0.020, 0.108, -0.072) ( 0.017, 0.091, -0.061) ( 0.01, 0.18, 0.08) 254: vdw (-51.130, -16.580, -38.702) (-51.129, -16.579, -38.701) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 ( 35.266, -6.336, -0.207) ( 35.310, -6.298, -0.180) ( 0.12, 0.59, 0.57) 254: bond ( 27.589, -4.880, -0.212) ( 27.616, -4.858, -0.203) ( 0.10, 0.44, 0.17) 254: angle ( 11.180, -2.101, 0.012) ( 11.195, -2.091, 0.018) ( 0.14, 0.46, 0.01) 254: torsion ( -0.002, -0.016, 0.003) ( -0.002, -0.011, 0.015) ( 0.00, 0.01, 0.00) 254: oop ( 0.000, -0.000, -0.001) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.501, 0.661, -0.010) ( -3.500, 0.662, -0.009) ( 0.04, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (-67.073, -4.316, 14.211) (-67.033, -4.278, 14.239) ( 0.06, 0.89, 0.20) 254: bond (-28.824, -42.695, 28.615) (-28.796, -42.676, 28.622) ( 0.10, 0.04, 0.03) 254: angle ( -8.910, -51.456, 31.603) ( -8.899, -51.445, 31.607) ( 0.12, 0.02, 0.01) 254: torsion ( 0.402, 2.129, 3.572) ( 0.402, 2.134, 3.587) ( 0.01, 0.25, 0.41) 254: oop ( -0.001, -0.006, -0.010) ( -0.001, -0.005, -0.008) ( 0.00, 0.00, 0.00) 254: vdw (-29.740, 87.712, -49.570) (-29.740, 87.714, -49.569) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (252.726, 124.577, -102.566) (252.769, 124.618, -102.539) ( 0.02, 0.03, 0.03) 254: bond ( -4.102, -5.208, 3.529) ( -4.072, -5.183, 3.537) ( 0.72, 0.48, 0.24) 254: angle (190.866, 62.770, -58.735) (190.879, 62.781, -58.731) ( 0.01, 0.02, 0.01) 254: torsion ( -0.008, -0.046, -0.082) ( -0.008, -0.041, -0.069) ( 0.00, 0.02, 0.11) 254: oop ( -0.000, -0.001, -0.002) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 65.970, 67.061, -47.275) ( 65.971, 67.062, -47.275) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (-228.789, 42.830, 0.196) (-228.758, 42.865, 0.217) ( 0.01, 0.08, 0.40) 254: bond (-23.988, 4.534, -0.038) (-23.972, 4.563, -0.027) ( 0.07, 0.64, 0.04) 254: angle (-243.722, 45.545, 0.214) (-243.707, 45.548, 0.216) ( 0.01, 0.01, 0.03) 254: torsion ( 0.006, 0.031, 0.048) ( 0.006, 0.034, 0.056) ( 0.00, 0.01, 0.04) 254: oop ( 0.000, 0.001, 0.002) ( 0.000, 0.001, 0.002) ( 0.00, 0.00, 0.00) 254: vdw ( 38.914, -7.281, -0.030) ( 38.915, -7.281, -0.030) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (190.044, -207.691, 102.032) (190.089, -207.650, 102.060) ( 0.02, 0.02, 0.03) 254: bond ( -2.495, 6.201, -3.435) ( -2.461, 6.222, -3.426) ( 1.33, 0.34, 0.25) 254: angle (155.225, -127.437, 58.396) (155.236, -127.424, 58.400) ( 0.01, 0.01, 0.01) 254: torsion ( -0.012, -0.067, -0.118) ( -0.012, -0.062, -0.105) ( 0.00, 0.03, 0.15) 254: oop ( -0.001, -0.004, -0.006) ( -0.001, -0.003, -0.005) ( 0.00, 0.00, 0.00) 254: vdw ( 37.327, -86.385, 47.195) ( 37.327, -86.383, 47.195) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-60.187, 27.700, -13.820) (-60.146, 27.735, -13.795) ( 0.07, 0.13, 0.18) 254: bond (-10.799, 49.795, -28.441) (-10.771, 49.815, -28.434) ( 0.25, 0.04, 0.03) 254: angle ( 10.364, 51.026, -31.537) ( 10.376, 51.036, -31.533) ( 0.12, 0.02, 0.01) 254: torsion ( -0.390, -2.077, -3.496) ( -0.390, -2.071, -3.481) ( 0.01, 0.25, 0.42) 254: oop ( 0.002, 0.008, 0.013) ( 0.001, 0.007, 0.011) ( 0.00, 0.00, 0.00) 254: vdw (-59.364, -71.052, 49.642) (-59.362, -71.051, 49.643) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 ( -0.582, 7.403, -4.825) ( -0.574, 7.413, -4.817) ( 0.48, 0.13, 0.17) 254: bond ( 6.712, 7.382, -5.157) ( 6.717, 7.388, -5.154) ( 0.08, 0.09, 0.06) 254: angle ( -8.182, 5.707, -2.478) ( -8.180, 5.708, -2.478) ( 0.03, 0.02, 0.01) 254: torsion ( -0.038, -0.202, -0.342) ( -0.038, -0.201, -0.338) ( 0.00, 0.03, 0.13) 254: oop ( -0.001, -0.003, -0.005) ( -0.000, -0.003, -0.004) ( 0.00, 0.00, 0.00) 254: vdw ( 0.927, -5.481, 3.157) ( 0.927, -5.481, 3.157) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (-56.958, -6.366, 10.362) (-56.952, -6.354, 10.368) ( 0.01, 0.18, 0.06) 254: bond ( -5.954, 11.782, -6.350) ( -5.952, 11.792, -6.347) ( 0.04, 0.08, 0.05) 254: angle (-53.718, -18.080, 16.780) (-53.714, -18.080, 16.780) ( 0.01, 0.00, 0.00) 254: torsion ( 0.017, 0.088, 0.147) ( 0.017, 0.089, 0.150) ( 0.00, 0.01, 0.04) 254: oop ( 0.000, 0.000, 0.001) ( 0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 2.697, -0.156, -0.215) ( 2.697, -0.156, -0.215) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( -9.625, -15.532, -18.122) ( -9.591, -15.488, -18.101) ( 0.34, 0.28, 0.12) 254: bond (-59.579, -42.061, -79.510) (-59.561, -42.043, -79.491) ( 0.03, 0.04, 0.02) 254: angle ( 48.208, 11.512, 31.711) ( 48.218, 11.520, 31.720) ( 0.02, 0.07, 0.03) 254: torsion ( -3.549, -1.214, 3.285) ( -3.548, -1.211, 3.286) ( 0.03, 0.28, 0.05) 254: oop ( -0.015, -0.082, 0.055) ( -0.013, -0.068, 0.045) ( 0.00, 0.12, 0.05) 254: vdw ( 5.311, 16.313, 26.338) ( 5.312, 16.313, 26.338) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-58.385, 10.937, 0.090) (-58.367, 10.941, 0.094) ( 0.03, 0.04, 0.04) 254: bond (-50.199, 9.397, 0.031) (-50.181, 9.397, 0.030) ( 0.04, 0.00, 0.00) 254: angle ( 0.005, 0.027, 0.040) ( 0.005, 0.028, 0.044) ( 0.00, 0.00, 0.01) 254: torsion ( -0.003, -0.020, 0.011) ( -0.003, -0.018, 0.012) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.001, 0.001) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( -8.188, 1.535, 0.008) ( -8.188, 1.535, 0.008) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-49.770, 31.442, 33.871) (-49.762, 31.448, 33.884) ( 0.02, 0.02, 0.04) 254: bond (-19.987, 26.705, 34.335) (-19.984, 26.711, 34.344) ( 0.02, 0.02, 0.03) 254: angle ( 8.426, 1.110, 4.041) ( 8.430, 1.110, 4.042) ( 0.05, 0.01, 0.02) 254: torsion ( -0.173, -0.918, 0.610) ( -0.173, -0.915, 0.611) ( 0.00, 0.20, 0.06) 254: oop ( 0.002, 0.010, -0.007) ( 0.002, 0.009, -0.006) ( 0.00, 0.00, 0.00) 254: vdw (-38.038, 4.533, -5.108) (-38.037, 4.533, -5.107) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 ( -3.379, 17.606, 18.634) ( -3.351, 17.623, 18.673) ( 0.84, 0.10, 0.21) 254: bond (-40.343, 60.834, 79.794) (-40.326, 60.853, 79.813) ( 0.04, 0.03, 0.02) 254: angle ( 40.876, -28.301, -31.675) ( 40.887, -28.294, -31.666) ( 0.03, 0.03, 0.03) 254: torsion ( -2.934, 2.121, -3.092) ( -2.933, 2.124, -3.090) ( 0.05, 0.15, 0.05) 254: oop ( 0.014, 0.074, -0.049) ( 0.011, 0.061, -0.041) ( 0.00, 0.09, 0.04) 254: vdw ( -0.992, -17.122, -26.344) ( -0.991, -17.122, -26.343) ( 0.08, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 (-57.727, -11.202, -33.706) (-57.717, -11.194, -33.695) ( 0.02, 0.07, 0.03) 254: bond (-28.238, -17.597, -34.196) (-28.231, -17.594, -34.186) ( 0.02, 0.01, 0.03) 254: angle ( 7.423, -4.071, -4.039) ( 7.426, -4.070, -4.038) ( 0.04, 0.02, 0.02) 254: torsion ( 0.171, 0.926, -0.620) ( 0.171, 0.928, -0.619) ( 0.00, 0.21, 0.06) 254: oop ( -0.002, -0.011, 0.007) ( -0.002, -0.009, 0.006) ( 0.00, 0.00, 0.00) 254: vdw (-37.082, 9.551, 5.142) (-37.081, 9.551, 5.142) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 ( -3.086, -6.733, 4.771) ( -3.080, -6.722, 4.778) ( 0.18, 0.17, 0.14) 254: bond ( 3.610, -9.358, 5.158) ( 3.612, -9.348, 5.162) ( 0.04, 0.11, 0.06) 254: angle ( -9.573, -2.338, 2.462) ( -9.570, -2.338, 2.462) ( 0.04, 0.01, 0.01) 254: torsion ( 0.035, 0.184, 0.307) ( 0.035, 0.185, 0.311) ( 0.00, 0.02, 0.12) 254: oop ( 0.000, 0.002, 0.004) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 254: vdw ( 2.842, 4.777, -3.160) ( 2.842, 4.777, -3.160) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (-50.786, 26.653, -10.315) (-50.777, 26.662, -10.309) ( 0.02, 0.03, 0.06) 254: bond ( -9.730, -8.776, 6.304) ( -9.723, -8.770, 6.307) ( 0.07, 0.06, 0.05) 254: angle (-43.615, 36.322, -16.724) (-43.613, 36.324, -16.723) ( 0.01, 0.01, 0.00) 254: torsion ( -0.012, -0.064, -0.108) ( -0.012, -0.063, -0.105) ( 0.00, 0.01, 0.03) 254: oop ( 0.000, 0.001, 0.002) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 254: vdw ( 2.571, -0.830, 0.211) ( 2.571, -0.830, 0.211) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 ( 18.552, -36.973, 15.506) ( 18.557, -36.964, 15.511) ( 0.03, 0.02, 0.04) 254: bond ( 19.795, -29.611, 20.399) ( 19.798, -29.604, 20.402) ( 0.02, 0.02, 0.02) 254: angle ( 2.872, -9.105, -16.001) ( 2.874, -9.104, -15.999) ( 0.06, 0.02, 0.01) 254: torsion ( -4.473, -0.508, 3.603) ( -4.472, -0.508, 3.603) ( 0.01, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.357, 2.251, 7.504) ( 0.357, 2.251, 7.504) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 ( 36.577, 15.060, -24.810) ( 36.584, 15.067, -24.806) ( 0.02, 0.05, 0.02) 254: bond ( 27.162, 26.884, -15.139) ( 27.168, 26.890, -15.137) ( 0.02, 0.02, 0.01) 254: angle ( 2.427, -9.455, -12.439) ( 2.428, -9.453, -12.436) ( 0.05, 0.01, 0.02) 254: torsion ( 6.153, -6.780, -0.999) ( 6.153, -6.779, -0.999) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.835, 4.410, 3.766) ( 0.835, 4.410, 3.766) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 (-11.279, 28.142, 28.721) (-11.271, 28.148, 28.729) ( 0.06, 0.02, 0.03) 254: bond (-22.714, 19.690, 26.873) (-22.710, 19.693, 26.879) ( 0.02, 0.02, 0.02) 254: angle (-25.556, -5.794, -17.347) (-25.554, -5.793, -17.346) ( 0.01, 0.03, 0.01) 254: torsion ( 0.856, 6.699, -4.185) ( 0.856, 6.700, -4.185) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 36.135, 7.547, 23.381) ( 36.136, 7.547, 23.381) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 ( 30.867, 27.740, -15.486) ( 30.875, 27.745, -15.480) ( 0.03, 0.02, 0.04) 254: bond ( 29.150, 20.548, -20.555) ( 29.157, 20.551, -20.551) ( 0.02, 0.02, 0.02) 254: angle ( 5.951, 7.443, 15.888) ( 5.952, 7.445, 15.890) ( 0.02, 0.03, 0.01) 254: torsion ( -3.753, 1.953, -3.371) ( -3.753, 1.953, -3.371) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.482, -2.204, -7.448) ( -0.482, -2.204, -7.448) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 (-20.778, -21.871, -28.929) (-20.769, -21.868, -28.921) ( 0.04, 0.02, 0.03) 254: bond (-28.443, -10.256, -26.879) (-28.436, -10.256, -26.873) ( 0.02, 0.01, 0.02) 254: angle (-21.731, 14.745, 17.364) (-21.729, 14.747, 17.365) ( 0.01, 0.01, 0.01) 254: torsion ( -1.517, -6.225, 3.980) ( -1.517, -6.224, 3.980) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 30.913, -20.135, -23.394) ( 30.913, -20.135, -23.394) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 ( 28.514, -27.461, 24.727) ( 28.519, -27.450, 24.731) ( 0.01, 0.04, 0.02) 254: bond ( 15.752, -34.951, 15.142) ( 15.753, -34.941, 15.143) ( 0.01, 0.03, 0.01) 254: angle ( 5.736, 7.985, 12.454) ( 5.737, 7.985, 12.456) ( 0.03, 0.01, 0.02) 254: torsion ( 7.864, 3.952, 0.936) ( 7.865, 3.952, 0.936) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.837, -4.447, -3.804) ( -0.837, -4.446, -3.804) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 34 # gradients 254: ok 35 # energy 254: 254: V A L I D A T E G R A D I E N T S 254: 254: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 254: ---------------------------------------------------------------------------------------- 254: 1 (-90.675, -167.099, -64.344) (-87.455, -178.051, -63.759) ( 3.55, 6.55, 0.91) 254: bond (-33.270, -17.000, -46.382) (-33.242, -16.994, -46.354) ( 0.08, 0.04, 0.06) 254: angle (-62.913, -173.302, -32.437) (-62.903, -173.290, -32.425) ( 0.02, 0.01, 0.03) 254: torsion ( 6.086, -15.462, 0.527) ( 6.087, -15.461, 0.527) ( 0.01, 0.01, 0.01) 254: oop ( -8.054, 28.772, -1.032) ( -4.873, 17.801, -0.487) (39.50, 38.13, 52.84) 254: vdw ( 7.475, 9.893, 14.979) ( 7.476, 9.893, 14.979) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 2 (-103.146, 41.250, 84.469) (-103.105, 45.401, 84.027) ( 0.04, 10.06, 0.52) 254: bond (-30.404, -27.951, -31.777) (-30.376, -27.932, -31.758) ( 0.09, 0.07, 0.06) 254: angle (-31.174, 77.031, 52.648) (-31.161, 77.043, 52.663) ( 0.04, 0.02, 0.03) 254: torsion ( -4.894, 4.019, 4.600) ( -4.893, 4.020, 4.601) ( 0.02, 0.03, 0.02) 254: oop ( -0.033, -10.860, 1.008) ( -0.033, -6.741, 0.530) ( 0.00, 37.93, 47.45) 254: vdw (-36.642, -0.989, 57.990) (-36.641, -0.988, 57.991) ( 0.00, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 3 (-62.268, -66.625, 80.948) (-60.276, -70.837, 80.021) ( 3.20, 6.32, 1.15) 254: bond ( 20.613, 26.346, 38.389) ( 20.632, 26.366, 38.415) ( 0.09, 0.08, 0.07) 254: angle (-17.393, -79.455, -0.302) (-17.378, -79.443, -0.289) ( 0.08, 0.02, 0.39) 254: torsion ( -4.249, -5.163, 1.764) ( -4.248, -5.162, 1.765) ( 0.03, 0.03, 0.04) 254: oop ( -4.557, 10.144, 2.339) ( -2.602, 5.897, 1.371) (42.91, 41.86, 41.37) 254: vdw (-56.682, -18.496, 38.758) (-56.680, -18.496, 38.759) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 4 ( -5.276, 111.452, 24.795) ( -9.577, 124.457, 23.520) (81.52, 11.67, 5.14) 254: bond ( 5.718, -13.679, 1.610) ( 5.745, -13.670, 1.639) ( 0.49, 0.07, 1.86) 254: angle ( -4.728, 149.502, 36.591) ( -4.717, 149.515, 36.602) ( 0.23, 0.01, 0.03) 254: torsion ( -4.261, 13.887, -0.390) ( -4.260, 13.888, -0.390) ( 0.01, 0.01, 0.01) 254: oop ( 10.173, -30.870, 2.958) ( 5.833, -17.888, 1.640) (42.67, 42.05, 44.54) 254: vdw (-12.177, -7.388, -15.973) (-12.177, -7.388, -15.972) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 5 (102.097, -25.297, -59.457) (102.166, -29.987, -58.713) ( 0.07, 18.54, 1.25) 254: bond ( 25.868, 27.546, 31.723) ( 25.896, 27.565, 31.742) ( 0.11, 0.07, 0.06) 254: angle ( 24.790, -68.458, -33.211) ( 24.803, -68.446, -33.196) ( 0.05, 0.02, 0.05) 254: torsion ( 3.373, -3.168, -4.940) ( 3.374, -3.167, -4.939) ( 0.03, 0.04, 0.02) 254: oop ( -0.050, 11.256, -1.573) ( -0.023, 6.533, -0.866) ( 0.14, 41.96, 44.95) 254: vdw ( 48.115, 7.528, -51.455) ( 48.116, 7.528, -51.453) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 6 ( 79.570, 81.165, -78.597) ( 78.042, 84.901, -77.656) ( 1.92, 4.60, 1.20) 254: bond (-19.273, -25.557, -37.733) (-19.254, -25.537, -37.706) ( 0.10, 0.08, 0.07) 254: angle ( 29.490, 90.204, -7.490) ( 29.505, 90.216, -7.477) ( 0.05, 0.01, 0.17) 254: torsion ( 3.940, 6.176, -2.944) ( 3.941, 6.178, -2.943) ( 0.03, 0.02, 0.02) 254: oop ( 3.919, -9.828, -2.445) ( 2.355, -6.125, -1.545) (39.91, 37.67, 36.82) 254: vdw ( 61.493, 20.170, -27.985) ( 61.495, 20.171, -27.985) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 7 (-43.204, -52.831, -65.365) (-40.815, -56.811, -63.752) ( 5.53, 7.53, 2.47) 254: bond ( 0.620, 1.263, 1.049) ( 0.640, 1.284, 1.072) ( 1.25, 1.69, 2.16) 254: angle (-13.478, -60.077, -32.968) (-13.467, -60.067, -32.957) ( 0.08, 0.02, 0.03) 254: torsion ( -0.041, 0.026, 0.006) ( -0.041, 0.027, 0.006) ( 0.00, 0.00, 0.00) 254: oop ( -5.566, 9.470, -3.724) ( -3.208, 5.458, -2.146) (42.36, 42.37, 42.38) 254: vdw (-24.739, -3.513, -29.728) (-24.739, -3.513, -29.727) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 8 (590.421, -413.338, -453.174) (588.830, -410.163, -454.033) ( 0.27, 0.77, 0.19) 254: bond (281.609, -267.251, -266.649) (281.625, -267.221, -266.622) ( 0.01, 0.01, 0.01) 254: angle (301.536, -151.745, -201.468) (301.544, -151.733, -201.459) ( 0.00, 0.01, 0.00) 254: torsion ( -3.751, 8.569, -5.610) ( -3.751, 8.569, -5.608) ( 0.00, 0.00, 0.03) 254: oop ( 4.159, -7.991, 2.085) ( 2.544, -4.858, 1.187) (38.83, 39.21, 43.09) 254: vdw ( 6.867, 5.080, 18.468) ( 6.868, 5.080, 18.469) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 9 (-252.186, 46.511, 376.531) (-252.182, 46.516, 376.551) ( 0.00, 0.01, 0.01) 254: bond (-119.597, -128.814, 352.507) (-119.596, -128.812, 352.526) ( 0.00, 0.00, 0.01) 254: angle (-145.561, 173.633, 14.064) (-145.558, 173.636, 14.065) ( 0.00, 0.00, 0.01) 254: torsion ( 3.858, -1.278, 0.842) ( 3.858, -1.278, 0.842) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 9.114, 2.971, 9.118) ( 9.114, 2.971, 9.118) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 10 (-174.814, 414.517, 106.449) (-174.811, 414.541, 106.453) ( 0.00, 0.01, 0.00) 254: bond (-38.911, 392.669, -61.048) (-38.912, 392.692, -61.049) ( 0.00, 0.01, 0.00) 254: angle (-127.613, 12.252, 160.145) (-127.610, 12.252, 160.149) ( 0.00, 0.00, 0.00) 254: torsion ( -2.732, -0.720, -2.890) ( -2.732, -0.720, -2.890) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -5.557, 10.317, 10.242) ( -5.557, 10.317, 10.242) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 11 (-20.966, -20.102, 4.975) (-20.928, -20.032, 4.860) ( 0.18, 0.35, 2.30) 254: bond (-41.860, 12.275, 5.586) (-41.836, 12.302, 5.588) ( 0.06, 0.22, 0.04) 254: angle ( 69.839, -39.509, -31.067) ( 69.854, -39.497, -31.064) ( 0.02, 0.03, 0.01) 254: torsion ( -0.189, -6.630, 19.989) ( -0.189, -6.629, 20.004) ( 0.00, 0.01, 0.08) 254: oop ( 0.011, -0.185, 0.813) ( 0.009, -0.153, 0.679) ( 0.00, 0.58, 10.96) 254: vdw (-48.767, 13.946, 9.654) (-48.766, 13.946, 9.654) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 12 (-48.581, -9.470, -19.172) (-48.539, -9.460, -19.017) ( 0.09, 0.10, 0.81) 254: bond ( -0.522, -5.772, -1.974) ( -0.494, -5.746, -1.972) ( 1.41, 0.45, 0.11) 254: angle ( -0.732, 44.691, 10.937) ( -0.720, 44.702, 10.937) ( 0.94, 0.03, 0.01) 254: torsion ( -0.099, 3.487, -16.209) ( -0.099, 3.488, -16.189) ( 0.00, 0.03, 0.12) 254: oop ( -0.009, 0.183, -0.813) ( -0.008, 0.154, -0.681) ( 0.00, 0.55, 10.78) 254: vdw (-47.219, -52.059, -11.113) (-47.218, -52.058, -11.113) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 13 ( 9.293, -180.393, -83.284) ( 9.342, -180.430, -82.952) ( 0.53, 0.02, 0.40) 254: bond ( 24.471, 24.991, 4.696) ( 24.500, 25.014, 4.698) ( 0.12, 0.09, 0.05) 254: angle ( 25.642, -148.454, -38.576) ( 25.652, -148.439, -38.575) ( 0.04, 0.01, 0.00) 254: torsion ( -0.403, 5.757, -21.735) ( -0.403, 5.759, -21.714) ( 0.00, 0.02, 0.09) 254: oop ( -0.046, 0.462, -1.801) ( -0.038, 0.384, -1.493) ( 0.04, 3.62, 17.10) 254: vdw (-40.370, -63.151, -25.868) (-40.369, -63.148, -25.869) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 14 (-42.054, 117.304, 95.769) (-42.015, 117.511, 95.181) ( 0.09, 0.18, 0.61) 254: bond ( 37.481, 29.457, 7.570) ( 37.518, 29.484, 7.573) ( 0.10, 0.09, 0.04) 254: angle (-87.919, 119.484, 35.823) (-87.903, 119.502, 35.823) ( 0.02, 0.02, 0.00) 254: torsion ( 0.037, -18.981, 76.061) ( 0.037, -18.979, 76.080) ( 0.00, 0.01, 0.03) 254: oop ( 0.098, -0.925, 3.573) ( 0.082, -0.766, 2.961) ( 0.16, 14.72, 17.12) 254: vdw ( 8.249, -11.731, -27.257) ( 8.251, -11.730, -27.257) ( 0.02, 0.01, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 15 ( -1.243, 58.634, -46.276) ( -1.214, 58.603, -45.898) ( 2.34, 0.05, 0.82) 254: bond (-12.815, -46.771, -13.270) (-12.788, -46.744, -13.267) ( 0.21, 0.06, 0.02) 254: angle (-11.262, 40.158, 14.208) (-11.244, 40.172, 14.209) ( 0.15, 0.04, 0.01) 254: torsion ( -0.183, 11.511, -45.098) ( -0.182, 11.513, -45.079) ( 0.01, 0.02, 0.04) 254: oop ( 0.104, 0.467, -2.195) ( 0.086, 0.393, -1.840) ( 0.19, 3.49, 16.15) 254: vdw ( 22.912, 53.269, 0.079) ( 22.914, 53.270, 0.079) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 16 (-70.569, 83.859, 43.385) (-70.528, 83.986, 43.087) ( 0.06, 0.15, 0.69) 254: bond ( 43.014, -9.899, 0.673) ( 43.044, -9.875, 0.676) ( 0.07, 0.23, 0.16) 254: angle (-68.869, 37.289, 8.467) (-68.859, 37.304, 8.468) ( 0.01, 0.04, 0.01) 254: torsion ( 0.769, -2.246, 11.569) ( 0.769, -2.244, 11.589) ( 0.00, 0.06, 0.17) 254: oop ( -0.003, -0.515, 1.925) ( -0.002, -0.430, 1.604) ( 0.00, 4.40, 16.70) 254: vdw (-45.480, 59.229, 20.751) (-45.480, 59.232, 20.751) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 17 (-192.991, -395.724, -129.219) (-192.952, -395.744, -128.985) ( 0.02, 0.00, 0.18) 254: bond (-83.920, -169.485, -3.556) (-83.894, -169.461, -3.554) ( 0.03, 0.01, 0.05) 254: angle (-42.478, -50.466, 12.902) (-42.472, -50.457, 12.906) ( 0.01, 0.02, 0.03) 254: torsion ( -6.887, -7.603, 23.877) ( -6.886, -7.602, 23.883) ( 0.01, 0.00, 0.02) 254: oop ( -0.030, 0.296, -1.145) ( -0.024, 0.239, -0.925) ( 0.02, 1.68, 19.26) 254: vdw (-59.677, -168.466, -161.298) (-59.676, -168.463, -161.295) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 18 (112.561, 217.395, -31.782) (112.595, 217.437, -31.748) ( 0.03, 0.02, 0.11) 254: bond (-49.686, 185.503, 41.124) (-49.667, 185.531, 41.145) ( 0.04, 0.02, 0.05) 254: angle ( 82.350, 40.943, -55.198) ( 82.361, 40.956, -55.186) ( 0.01, 0.03, 0.02) 254: torsion ( 14.356, 1.064, -19.115) ( 14.358, 1.065, -19.114) ( 0.01, 0.09, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 65.542, -10.115, 1.408) ( 65.543, -10.115, 1.408) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 19 ( -7.556, -40.622, 47.751) ( -7.528, -40.592, 47.780) ( 0.37, 0.07, 0.06) 254: bond ( 8.410, 11.000, -20.862) ( 8.429, 11.018, -20.842) ( 0.22, 0.17, 0.10) 254: angle (-22.599, -32.864, 60.998) (-22.591, -32.855, 61.007) ( 0.04, 0.03, 0.01) 254: torsion ( -9.611, -2.930, -2.776) ( -9.609, -2.929, -2.775) ( 0.01, 0.04, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 16.243, -15.827, 10.390) ( 16.243, -15.827, 10.390) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 20 ( 1.672, -290.290, 5.310) ( 1.753, -290.231, 5.260) ( 4.83, 0.02, 0.95) 254: bond ( 48.860, -351.645, 36.679) ( 48.891, -351.609, 36.683) ( 0.06, 0.01, 0.01) 254: angle ( 22.349, 106.451, -23.941) ( 22.368, 106.474, -23.939) ( 0.09, 0.02, 0.01) 254: torsion (-11.068, 6.550, 9.919) (-11.065, 6.550, 9.936) ( 0.03, 0.01, 0.17) 254: oop ( -0.208, 0.011, 0.576) ( -0.182, 0.010, 0.502) ( 0.55, 0.00, 4.26) 254: vdw (-58.262, -51.657, -17.922) (-58.260, -51.656, -17.922) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 21 (119.256, 619.890, 24.768) (119.296, 619.932, 24.770) ( 0.03, 0.01, 0.01) 254: bond (128.450, 492.247, 22.211) (128.464, 492.286, 22.213) ( 0.01, 0.01, 0.01) 254: angle (-17.445, 89.502, -16.170) (-17.428, 89.506, -16.167) ( 0.09, 0.00, 0.01) 254: torsion (-10.722, 1.793, 30.081) (-10.721, 1.793, 30.093) ( 0.02, 0.00, 0.04) 254: oop ( 0.038, 0.000, -0.106) ( 0.044, -0.002, -0.120) ( 0.02, 0.00, 0.14) 254: vdw ( 18.935, 36.347, -11.248) ( 18.937, 36.348, -11.248) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 22 (-31.149, -65.327, 7.485) (-31.139, -65.263, 7.617) ( 0.03, 0.10, 1.77) 254: bond (-184.821, -85.790, -66.524) (-184.791, -85.756, -66.519) ( 0.02, 0.04, 0.01) 254: angle (174.270, -73.330, 73.268) (174.287, -73.310, 73.269) ( 0.01, 0.03, 0.00) 254: torsion ( -3.641, 0.520, 8.689) ( -3.637, 0.520, 8.711) ( 0.09, 0.01, 0.25) 254: oop ( 0.165, -0.030, -0.436) ( 0.125, -0.023, -0.332) ( 0.66, 0.02, 4.54) 254: vdw (-17.123, 93.304, -7.512) (-17.123, 93.307, -7.512) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 23 (-23.983, -22.539, -15.355) (-23.974, -22.473, -15.214) ( 0.04, 0.29, 0.92) 254: bond (107.750, -252.321, 56.463) (107.775, -252.281, 56.468) ( 0.02, 0.02, 0.01) 254: angle (-188.480, 168.110, -74.826) (-188.460, 168.128, -74.824) ( 0.01, 0.01, 0.00) 254: torsion ( 4.764, -0.733, -12.644) ( 4.767, -0.733, -12.617) ( 0.08, 0.01, 0.21) 254: oop ( 0.167, -0.024, -0.427) ( 0.126, -0.018, -0.319) ( 0.69, 0.02, 4.59) 254: vdw ( 51.816, 62.429, 16.078) ( 51.817, 62.430, 16.078) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 24 (-340.956, 471.644, -155.708) (-340.799, 471.689, -155.922) ( 0.05, 0.01, 0.14) 254: bond (-87.772, 315.177, -53.391) (-87.729, 315.209, -53.383) ( 0.05, 0.01, 0.01) 254: angle (-266.595, 179.453, -119.794) (-266.580, 179.480, -119.794) ( 0.01, 0.02, 0.00) 254: torsion ( -3.047, 0.367, 8.319) ( -3.044, 0.367, 8.338) ( 0.10, 0.00, 0.23) 254: oop ( -0.533, 0.079, 1.372) ( -0.437, 0.065, 1.131) ( 5.14, 0.12, 17.58) 254: vdw ( 16.992, -23.433, 7.787) ( 16.992, -23.432, 7.787) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 25 (125.716, -305.181, 59.352) (125.829, -305.134, 59.218) ( 0.09, 0.02, 0.22) 254: bond (-30.214, 190.400, -29.022) (-30.176, 190.432, -29.016) ( 0.12, 0.02, 0.02) 254: angle (111.351, -427.295, 73.315) (111.360, -427.271, 73.317) ( 0.01, 0.01, 0.00) 254: torsion ( 6.776, -0.115, -18.396) ( 6.779, -0.115, -18.376) ( 0.05, 0.00, 0.11) 254: oop ( -0.289, 0.080, 0.729) ( -0.226, 0.067, 0.569) ( 1.83, 0.11, 11.64) 254: vdw ( 38.092, -68.250, 32.725) ( 38.092, -68.247, 32.725) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 26 (-217.964, -53.713, -70.476) (-217.943, -53.662, -70.386) ( 0.01, 0.09, 0.13) 254: bond (-129.118, -144.702, -38.830) (-129.088, -144.673, -38.826) ( 0.02, 0.02, 0.01) 254: angle (-92.939, 94.229, -67.021) (-92.923, 94.245, -67.016) ( 0.02, 0.02, 0.01) 254: torsion ( -0.862, -0.355, 1.681) ( -0.860, -0.355, 1.692) ( 0.17, 0.01, 0.62) 254: oop ( 0.159, -0.034, -0.406) ( 0.132, -0.028, -0.336) ( 0.43, 0.02, 2.81) 254: vdw ( 4.796, -2.851, 34.099) ( 4.796, -2.851, 34.100) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 27 (309.239, -201.556, 101.651) (309.302, -201.516, 101.608) ( 0.02, 0.02, 0.04) 254: bond (248.311, -157.888, 106.012) (248.345, -157.860, 106.018) ( 0.01, 0.02, 0.01) 254: angle ( 48.554, -35.777, 18.789) ( 48.560, -35.759, 18.792) ( 0.01, 0.05, 0.01) 254: torsion ( 9.873, -2.247, -25.452) ( 9.874, -2.247, -25.445) ( 0.01, 0.00, 0.03) 254: oop ( -0.142, 0.030, 0.372) ( -0.120, 0.025, 0.314) ( 0.31, 0.01, 2.16) 254: vdw ( 2.642, -5.673, 1.931) ( 2.643, -5.673, 1.931) ( 0.02, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 28 ( 87.379, -176.189, 45.678) ( 87.415, -176.122, 45.774) ( 0.04, 0.04, 0.21) 254: bond (-122.952, 125.551, -56.601) (-122.912, 125.596, -56.593) ( 0.03, 0.04, 0.01) 254: angle (212.046, -303.014, 100.749) (212.065, -302.998, 100.753) ( 0.01, 0.01, 0.00) 254: torsion ( -1.009, -0.804, 2.730) ( -1.007, -0.804, 2.747) ( 0.24, 0.01, 0.65) 254: oop ( 0.144, -0.028, -0.384) ( 0.119, -0.023, -0.317) ( 0.35, 0.01, 2.55) 254: vdw ( -0.850, 2.107, -0.816) ( -0.850, 2.107, -0.816) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 29 ( 28.638, 80.760, 2.152) ( 28.598, 80.784, 2.334) ( 0.14, 0.03, 8.48) 254: bond (-13.342, 5.622, -5.580) (-13.316, 5.627, -5.576) ( 0.19, 0.08, 0.08) 254: angle ( 29.775, 77.751, 7.356) ( 29.777, 77.759, 7.356) ( 0.00, 0.01, 0.01) 254: torsion ( 1.225, -0.163, -3.094) ( 1.225, -0.163, -3.091) ( 0.05, 0.00, 0.12) 254: oop ( 0.284, -0.046, -0.725) ( 0.216, -0.035, -0.551) ( 1.94, 0.05, 12.68) 254: vdw ( 10.696, -2.404, 4.196) ( 10.696, -2.404, 4.196) ( 0.00, 0.02, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 30 (-51.769, 170.421, -28.422) (-51.718, 170.451, -28.427) ( 0.10, 0.02, 0.02) 254: bond (-57.140, -0.068, -21.182) (-57.114, -0.050, -21.162) ( 0.05, 0.13, 0.09) 254: angle ( -4.494, 146.661, -12.973) ( -4.484, 146.674, -12.965) ( 0.24, 0.01, 0.07) 254: torsion ( -1.064, 4.904, 2.867) ( -1.063, 4.906, 2.871) ( 0.05, 0.03, 0.13) 254: oop ( -0.060, 0.012, 0.161) ( -0.046, 0.009, 0.123) ( 0.08, 0.00, 0.60) 254: vdw ( 10.989, 18.912, 2.706) ( 10.989, 18.913, 2.706) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 31 (-39.625, -46.446, 4.953) (-39.572, -46.418, 4.932) ( 0.13, 0.06, 0.43) 254: bond ( 24.264, 1.025, -37.484) ( 24.284, 1.044, -37.464) ( 0.08, 1.86, 0.05) 254: angle (-64.819, -62.366, 28.293) (-64.808, -62.354, 28.302) ( 0.02, 0.02, 0.03) 254: torsion ( 1.880, 5.952, 6.218) ( 1.882, 5.952, 6.219) ( 0.08, 0.01, 0.01) 254: oop ( -0.086, 0.018, 0.218) ( -0.066, 0.014, 0.166) ( 0.18, 0.01, 1.13) 254: vdw ( -0.864, 8.926, 7.708) ( -0.864, 8.926, 7.708) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 32 ( 17.161, 37.789, -11.581) ( 17.192, 37.821, -11.550) ( 0.18, 0.08, 0.27) 254: bond ( -6.574, -42.124, 16.847) ( -6.556, -42.105, 16.867) ( 0.28, 0.05, 0.12) 254: angle ( 18.684, 57.126, -24.812) ( 18.694, 57.137, -24.802) ( 0.05, 0.02, 0.04) 254: torsion ( 8.251, 21.142, 0.462) ( 8.253, 21.143, 0.462) ( 0.03, 0.01, 0.04) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.200, 1.645, -4.077) ( -3.200, 1.645, -4.077) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 33 ( -4.601, -28.457, -17.819) ( -4.572, -28.428, -17.789) ( 0.61, 0.10, 0.16) 254: bond ( -2.307, 38.602, 27.693) ( -2.289, 38.622, 27.712) ( 0.80, 0.05, 0.07) 254: angle ( -1.034, -67.182, -17.928) ( -1.026, -67.173, -17.919) ( 0.78, 0.01, 0.05) 254: torsion ( 2.723, -0.138, 0.283) ( 2.724, -0.137, 0.284) ( 0.06, 0.01, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -3.981, 0.260, -27.867) ( -3.981, 0.260, -27.866) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 34 ( 9.373, -5.263, -5.246) ( 9.379, -5.250, -5.243) ( 0.06, 0.24, 0.06) 254: bond ( 6.793, -18.562, 0.914) ( 6.794, -18.550, 0.914) ( 0.03, 0.07, 0.01) 254: angle ( 12.826, 4.169, -10.756) ( 12.830, 4.169, -10.754) ( 0.03, 0.01, 0.02) 254: torsion ( 6.776, 2.158, -6.569) ( 6.777, 2.159, -6.568) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-17.022, 6.971, 11.165) (-17.022, 6.971, 11.165) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 35 ( 8.439, 3.595, -13.990) ( 8.444, 3.600, -13.978) ( 0.06, 0.12, 0.09) 254: bond ( 4.852, 7.538, -18.762) ( 4.853, 7.540, -18.751) ( 0.02, 0.03, 0.06) 254: angle ( 17.637, -2.460, 3.577) ( 17.641, -2.458, 3.577) ( 0.02, 0.08, 0.02) 254: torsion ( -2.872, 1.678, -0.068) ( -2.872, 1.678, -0.068) ( 0.01, 0.02, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-11.178, -3.161, 1.263) (-11.178, -3.161, 1.263) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 36 ( 13.034, 2.868, 7.553) ( 13.047, 2.872, 7.558) ( 0.11, 0.11, 0.06) 254: bond ( 19.930, -1.163, -2.917) ( 19.944, -1.163, -2.916) ( 0.07, 0.01, 0.01) 254: angle ( -0.525, 7.456, -6.566) ( -0.525, 7.459, -6.563) ( 0.00, 0.03, 0.06) 254: torsion ( 0.113, -3.557, 2.187) ( 0.113, -3.556, 2.187) ( 0.00, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.484, 0.132, 14.849) ( -6.484, 0.132, 14.849) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 37 ( 7.808, 6.534, 2.461) ( 7.812, 6.547, 2.466) ( 0.05, 0.20, 0.20) 254: bond ( -5.121, 18.462, -2.248) ( -5.120, 18.475, -2.248) ( 0.02, 0.07, 0.01) 254: angle ( 12.554, 2.071, -11.579) ( 12.556, 2.071, -11.575) ( 0.02, 0.01, 0.03) 254: torsion ( 8.704, 1.762, -5.344) ( 8.705, 1.762, -5.344) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.328, -15.761, 21.633) ( -8.328, -15.761, 21.633) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 38 ( 4.689, 1.345, 14.511) ( 4.695, 1.349, 14.523) ( 0.11, 0.32, 0.08) 254: bond ( -4.521, -7.164, 18.317) ( -4.520, -7.162, 18.328) ( 0.02, 0.03, 0.06) 254: angle ( -8.158, 5.530, 0.150) ( -8.155, 5.532, 0.151) ( 0.04, 0.04, 0.01) 254: torsion ( 2.436, -2.304, -0.299) ( 2.436, -2.304, -0.299) ( 0.01, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 14.933, 5.283, -3.657) ( 14.933, 5.283, -3.657) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 39 ( -0.359, 4.608, 8.965) ( -0.353, 4.620, 8.968) ( 0.21, 0.28, 0.03) 254: bond ( -6.686, 18.075, -0.977) ( -6.685, 18.088, -0.977) ( 0.03, 0.07, 0.01) 254: angle (-13.717, -4.486, 10.782) (-13.713, -4.486, 10.784) ( 0.02, 0.01, 0.02) 254: torsion ( -5.879, -1.787, 7.143) ( -5.879, -1.787, 7.143) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 25.924, -7.195, -7.982) ( 25.924, -7.195, -7.982) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 40 (-15.640, -4.131, 5.459) (-15.626, -4.128, 5.464) ( 0.09, 0.07, 0.09) 254: bond (-20.987, 1.060, 3.290) (-20.973, 1.060, 3.290) ( 0.06, 0.01, 0.01) 254: angle ( 1.888, -7.800, 14.544) ( 1.888, -7.797, 14.548) ( 0.01, 0.03, 0.03) 254: torsion ( -0.238, 1.144, -1.889) ( -0.238, 1.144, -1.888) ( 0.00, 0.04, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 3.698, 1.465, -10.486) ( 3.698, 1.466, -10.486) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 41 ( -2.868, -8.359, 8.203) ( -2.864, -8.346, 8.208) ( 0.14, 0.16, 0.06) 254: bond ( 5.462, -18.914, 2.362) ( 5.463, -18.901, 2.362) ( 0.02, 0.07, 0.01) 254: angle (-11.884, -1.457, 15.815) (-11.882, -1.457, 15.819) ( 0.02, 0.01, 0.02) 254: torsion ( -6.481, -1.186, 5.499) ( -6.480, -1.186, 5.499) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 10.035, 13.198, -15.473) ( 10.035, 13.198, -15.472) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 42 ( 2.797, 3.776, 4.300) ( 2.801, 3.789, 4.303) ( 0.13, 0.35, 0.08) 254: bond ( -3.557, 12.409, -0.546) ( -3.556, 12.422, -0.546) ( 0.03, 0.10, 0.00) 254: angle ( 17.083, 5.825, 21.266) ( 17.086, 5.825, 21.269) ( 0.01, 0.00, 0.01) 254: torsion ( -0.038, -0.009, 0.033) ( -0.038, -0.009, 0.033) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-10.691, -14.448, -16.454) (-10.691, -14.448, -16.453) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 43 ( 8.026, 3.053, 2.790) ( 8.040, 3.056, 2.793) ( 0.17, 0.09, 0.13) 254: bond ( 12.762, -0.692, -1.574) ( 12.775, -0.692, -1.574) ( 0.11, 0.01, 0.02) 254: angle ( 2.727, 6.099, 19.454) ( 2.727, 6.101, 19.457) ( 0.00, 0.04, 0.01) 254: torsion ( 0.016, -0.402, 0.307) ( 0.016, -0.402, 0.307) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -7.478, -1.951, -15.397) ( -7.478, -1.951, -15.397) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 44 ( 1.200, 1.204, 8.941) ( 1.203, 1.208, 8.953) ( 0.28, 0.36, 0.14) 254: bond ( -2.604, -4.517, 11.804) ( -2.604, -4.515, 11.816) ( 0.02, 0.04, 0.10) 254: angle ( 16.627, 9.458, 7.279) ( 16.629, 9.461, 7.279) ( 0.01, 0.03, 0.01) 254: torsion ( 0.483, -0.369, -0.034) ( 0.483, -0.369, -0.034) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw (-13.306, -3.369, -10.108) (-13.306, -3.369, -10.108) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 45 ( 38.713, 44.328, 7.887) ( 38.722, 44.347, 7.854) ( 0.02, 0.04, 0.42) 254: bond ( 43.946, 43.820, 9.845) ( 43.953, 43.828, 9.845) ( 0.02, 0.02, 0.01) 254: angle ( -4.853, 4.607, 1.140) ( -4.851, 4.609, 1.140) ( 0.04, 0.04, 0.01) 254: torsion ( -0.054, 0.616, -2.505) ( -0.054, 0.616, -2.500) ( 0.00, 0.02, 0.19) 254: oop ( 0.003, -0.054, 0.231) ( 0.002, -0.045, 0.193) ( 0.00, 0.05, 0.89) 254: vdw ( -0.328, -4.660, -0.824) ( -0.328, -4.660, -0.824) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 46 (-18.395, 57.830, 23.586) (-18.389, 57.857, 23.541) ( 0.03, 0.05, 0.19) 254: bond (-10.669, 53.306, 13.917) (-10.668, 53.320, 13.918) ( 0.01, 0.03, 0.01) 254: angle ( 40.079, 7.653, 1.404) ( 40.082, 7.653, 1.404) ( 0.01, 0.00, 0.00) 254: torsion ( 0.080, -2.491, 9.598) ( 0.080, -2.490, 9.602) ( 0.00, 0.01, 0.05) 254: oop ( 0.007, -0.087, 0.339) ( 0.006, -0.074, 0.289) ( 0.00, 0.11, 1.71) 254: vdw (-47.891, -0.551, -1.672) (-47.889, -0.551, -1.672) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 47 ( 12.896, -47.842, -29.476) ( 12.902, -47.867, -29.330) ( 0.05, 0.05, 0.50) 254: bond ( 16.083, -55.844, -15.523) ( 16.084, -55.831, -15.522) ( 0.01, 0.02, 0.01) 254: angle ( 16.899, 4.635, 0.843) ( 16.903, 4.635, 0.843) ( 0.02, 0.01, 0.00) 254: torsion ( -0.281, 4.759, -17.416) ( -0.281, 4.760, -17.411) ( 0.00, 0.01, 0.03) 254: oop ( -0.003, 0.252, -0.909) ( -0.003, 0.213, -0.768) ( 0.00, 0.98, 12.78) 254: vdw (-19.802, -1.643, 3.528) (-19.801, -1.643, 3.528) ( 0.01, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 48 (-13.369, -21.958, 16.625) (-13.356, -21.953, 16.629) ( 0.10, 0.02, 0.02) 254: bond (-18.943, -0.495, 4.460) (-18.930, -0.495, 4.461) ( 0.07, 0.00, 0.02) 254: angle ( 2.111, -25.347, 6.142) ( 2.111, -25.343, 6.145) ( 0.01, 0.02, 0.04) 254: torsion ( 2.357, 0.951, 10.106) ( 2.357, 0.952, 10.106) ( 0.00, 0.04, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.107, 2.933, -4.084) ( 1.107, 2.933, -4.084) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 49 ( 5.762, -15.925, 9.043) ( 5.768, -15.919, 9.052) ( 0.11, 0.04, 0.10) 254: bond ( 1.912, 1.900, 3.242) ( 1.915, 1.902, 3.250) ( 0.15, 0.15, 0.25) 254: angle (-32.893, -8.313, 24.245) (-32.891, -8.310, 24.246) ( 0.01, 0.04, 0.00) 254: torsion ( 0.587, 3.391, -2.331) ( 0.588, 3.391, -2.331) ( 0.03, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 36.156, -12.903, -16.113) ( 36.157, -12.903, -16.113) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 50 ( -1.794, 13.571, -14.957) ( -1.790, 13.584, -14.954) ( 0.22, 0.09, 0.02) 254: bond ( -5.047, 12.898, 0.979) ( -5.045, 12.910, 0.979) ( 0.04, 0.09, 0.01) 254: angle ( 6.345, 3.861, -18.227) ( 6.346, 3.862, -18.224) ( 0.03, 0.01, 0.01) 254: torsion ( -2.173, -0.796, -0.702) ( -2.172, -0.796, -0.702) ( 0.02, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -0.919, -2.393, 2.993) ( -0.919, -2.392, 2.993) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 51 ( 5.006, 11.117, -16.029) ( 5.019, 11.120, -16.025) ( 0.26, 0.02, 0.02) 254: bond ( 7.392, 0.592, -2.237) ( 7.405, 0.592, -2.236) ( 0.17, 0.01, 0.05) 254: angle (-10.078, 18.633, -28.438) (-10.078, 18.635, -28.435) ( 0.00, 0.01, 0.01) 254: torsion ( 0.198, 2.152, 1.225) ( 0.198, 2.152, 1.225) ( 0.00, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 7.494, -10.259, 13.421) ( 7.494, -10.259, 13.422) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 52 ( 0.874, 5.631, -19.225) ( 0.880, 5.637, -19.217) ( 0.47, 0.09, 0.05) 254: bond ( -6.958, -6.497, -10.205) ( -6.955, -6.494, -10.198) ( 0.05, 0.05, 0.07) 254: angle ( 6.830, 14.880, -14.137) ( 6.831, 14.882, -14.136) ( 0.02, 0.01, 0.01) 254: torsion ( 0.986, -0.661, -0.252) ( 0.986, -0.661, -0.252) ( 0.04, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.017, -2.090, 5.369) ( 0.017, -2.090, 5.369) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 53 (162.332, -31.360, 165.767) (162.312, -31.329, 165.841) ( 0.01, 0.10, 0.04) 254: bond ( 20.228, -169.925, 23.926) ( 20.227, -169.904, 23.926) ( 0.00, 0.01, 0.00) 254: angle ( 33.422, 5.569, 11.284) ( 33.427, 5.569, 11.285) ( 0.01, 0.00, 0.01) 254: torsion ( 11.888, -2.850, -30.292) ( 11.888, -2.850, -30.287) ( 0.01, 0.00, 0.01) 254: oop ( 0.236, -0.056, -0.599) ( 0.210, -0.050, -0.533) ( 0.62, 0.03, 3.94) 254: vdw ( 96.558, 135.903, 161.448) ( 96.559, 135.906, 161.451) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 54 ( 6.868, -11.480, 4.680) ( 6.872, -11.467, 4.683) ( 0.07, 0.11, 0.06) 254: bond ( -3.346, -9.614, -0.475) ( -3.344, -9.602, -0.475) ( 0.05, 0.13, 0.00) 254: angle ( 4.186, -1.551, 1.860) ( 4.189, -1.551, 1.862) ( 0.07, 0.02, 0.12) 254: torsion ( -0.343, 0.074, 0.922) ( -0.343, 0.074, 0.923) ( 0.00, 0.00, 0.05) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 6.371, -0.389, 2.373) ( 6.371, -0.389, 2.373) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 55 ( 3.014, 2.398, 11.667) ( 3.022, 2.404, 11.675) ( 0.24, 0.24, 0.06) 254: bond ( -6.207, 5.487, 6.557) ( -6.202, 5.491, 6.563) ( 0.08, 0.07, 0.08) 254: angle ( 0.093, -6.009, 5.115) ( 0.096, -6.008, 5.117) ( 0.02, 0.02, 0.03) 254: torsion ( -0.228, -0.987, 0.610) ( -0.228, -0.987, 0.610) ( 0.00, 0.05, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 9.356, 3.907, -0.615) ( 9.356, 3.907, -0.615) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 56 ( 10.342, -0.931, -8.154) ( 10.346, -0.927, -8.142) ( 0.04, 0.42, 0.15) 254: bond ( -0.146, 4.226, -9.796) ( -0.146, 4.229, -9.784) ( 0.00, 0.05, 0.12) 254: angle ( 3.610, -6.420, -2.828) ( 3.614, -6.418, -2.828) ( 0.10, 0.03, 0.01) 254: torsion ( 0.452, -2.813, -1.222) ( 0.452, -2.812, -1.222) ( 0.00, 0.02, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 6.425, 4.075, 5.692) ( 6.425, 4.075, 5.692) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 57 ( -6.624, -14.288, -2.175) ( -6.621, -14.278, -2.169) ( 0.05, 0.07, 0.31) 254: bond ( 0.989, -14.292, -9.940) ( 0.989, -14.283, -9.936) ( 0.01, 0.07, 0.05) 254: angle ( 8.783, 7.248, -9.549) ( 8.785, 7.249, -9.547) ( 0.03, 0.01, 0.02) 254: torsion ( -9.476, -9.922, 13.320) ( -9.476, -9.922, 13.320) ( 0.00, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -6.919, 2.677, 3.994) ( -6.919, 2.677, 3.994) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 58 ( 8.994, -1.935, -21.348) ( 9.005, -1.929, -21.345) ( 0.13, 0.30, 0.01) 254: bond ( 12.966, 7.217, -1.458) ( 12.977, 7.220, -1.458) ( 0.08, 0.05, 0.01) 254: angle ( 2.755, -7.423, -12.226) ( 2.756, -7.421, -12.223) ( 0.02, 0.03, 0.02) 254: torsion ( 2.153, -6.788, -14.449) ( 2.153, -6.787, -14.450) ( 0.00, 0.01, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -8.881, 5.059, 6.785) ( -8.881, 5.059, 6.785) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 59 ( -8.671, -11.979, -0.173) ( -8.660, -11.973, -0.169) ( 0.13, 0.05, 0.06) 254: bond (-16.832, -10.136, 1.712) (-16.822, -10.133, 1.713) ( 0.06, 0.04, 0.01) 254: angle ( 6.492, -9.808, 5.760) ( 6.493, -9.806, 5.763) ( 0.01, 0.02, 0.05) 254: torsion ( -0.020, -0.277, -1.833) ( -0.020, -0.276, -1.833) ( 0.00, 0.02, 0.02) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.689, 8.241, -5.813) ( 1.689, 8.241, -5.813) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 60 ( 0.581, -21.765, 10.171) ( 0.590, -21.757, 10.175) ( 0.53, 0.03, 0.04) 254: bond ( 15.609, -12.895, 6.060) ( 15.617, -12.890, 6.061) ( 0.05, 0.04, 0.02) 254: angle ( -5.964, -6.114, 2.360) ( -5.963, -6.113, 2.363) ( 0.02, 0.02, 0.12) 254: torsion ( -8.008, -7.854, 3.930) ( -8.008, -7.853, 3.930) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.057, 5.099, -2.180) ( -1.057, 5.099, -2.179) ( 0.00, 0.00, 0.01) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 61 ( 2.912, 13.405, 16.850) ( 2.914, 13.409, 16.863) ( 0.09, 0.03, 0.08) 254: bond ( -1.242, -3.976, 13.089) ( -1.242, -3.975, 13.101) ( 0.01, 0.03, 0.10) 254: angle ( -1.996, 20.852, 6.138) ( -1.994, 20.855, 6.138) ( 0.09, 0.01, 0.00) 254: torsion ( 5.685, -0.198, 0.479) ( 5.686, -0.198, 0.479) ( 0.01, 0.00, 0.00) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 0.465, -3.273, -2.855) ( 0.465, -3.273, -2.855) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 62 ( 0.638, 16.986, 4.348) ( 0.648, 16.991, 4.350) ( 0.67, 0.04, 0.06) 254: bond ( 10.808, 6.980, -0.988) ( 10.817, 6.984, -0.988) ( 0.09, 0.06, 0.01) 254: angle ( -6.882, 12.809, 15.223) ( -6.881, 12.811, 15.225) ( 0.01, 0.01, 0.01) 254: torsion ( -2.284, 2.981, -3.935) ( -2.284, 2.981, -3.935) ( 0.01, 0.01, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( -1.004, -5.785, -5.952) ( -1.004, -5.784, -5.952) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: 63 ( -5.490, 12.050, 9.477) ( -5.480, 12.057, 9.480) ( 0.17, 0.06, 0.04) 254: bond ( -8.767, 6.776, -2.293) ( -8.759, 6.781, -2.292) ( 0.10, 0.07, 0.03) 254: angle ( 5.404, 14.181, 21.304) ( 5.405, 14.183, 21.306) ( 0.02, 0.01, 0.01) 254: torsion ( -3.779, -3.434, 4.280) ( -3.778, -3.434, 4.281) ( 0.00, 0.00, 0.01) 254: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: vdw ( 1.652, -5.474, -13.815) ( 1.652, -5.474, -13.814) ( 0.00, 0.00, 0.00) 254: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 254: ok 36 # gradients 254: 1..36 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.075, -0.304, 4.442) ( -3.075, -0.304, 4.443) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 74 ( 0.198, 2.184, -1.550) ( 0.200, 2.185, -1.547) ( 0.04, 0.04, 0.23) 248: bond ( -0.028, -0.019, -0.043) ( -0.027, -0.018, -0.040) ( 0.00, 0.00, 0.01) 248: angle ( 2.217, 0.907, -1.911) ( 2.217, 0.907, -1.911) ( 0.01, 0.00, 0.01) 248: strbnd ( 0.644, 0.343, 0.113) ( 0.644, 0.343, 0.113) ( 0.01, 0.00, 0.00) 248: torsion ( -0.820, 1.602, -0.191) ( -0.820, 1.602, -0.191) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.896, -0.668, 0.650) ( -1.896, -0.668, 0.650) ( 0.00, 0.00, 0.00) 248: electro ( 0.081, 0.018, -0.168) ( 0.081, 0.018, -0.168) ( 0.00, 0.00, 0.00) 248: ok 22 # gradients 248: ok 23 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 249/333 Test #254: origtest_ffuff_1 .................................................................................... Passed 2.86 sec test 255 Start 255: origtest_formalcharge_1 255: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "formalcharge" "1" 255: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 255: Environment variables: 255: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 255: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 255: Test timeout computed to be: 1500 255: # Testing molecular formal charges... 255: ok 1 255: 1..1 250/333 Test #255: origtest_formalcharge_1 ............................................................................. Passed 0.21 sec test 256 Start 256: origtest_format_1 256: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "format" "1" 256: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 256: Environment variables: 256: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 256: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 256: Test timeout computed to be: 1500 256: # Unit tests for OBFormat 256: 1..4 256: ok 1 256: ok 2 256: ok 3 256: ok 4 251/333 Test #256: origtest_format_1 ................................................................................... Passed 0.14 sec test 257 Start 257: origtest_formula_1 257: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "formula" "1" 257: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 257: Environment variables: 257: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 257: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 257: Test timeout computed to be: 1500 257: # Testing molecular formulas... 257: ok 1 # molecular formula 257: ok 2 # molecular weight 257: ok 3 # molecular exact mass 257: ok 4 # molecular hydrogen-added formula 257: ok 5 # molecule + hydrogens weight 257: ok 6 # molecular exact mass after hydrogen addition 257: ok 7 # molecular formula 257: ok 8 # molecular weight 257: ok 9 # molecular exact mass 257: ok 10 # molecular hydrogen-added formula 257: ok 11 # molecule + hydrogens weight 257: ok 12 # molecular exact mass after hydrogen addition 257: ok 13 # molecular formula 257: ok 14 # molecular weight 257: ok 15 # molecular exact mass 257: ok 16 # molecular hydrogen-added formula 257: ok 17 # molecule + hydrogens weight 257: ok 18 # molecular exact mass after hydrogen addition 257: ok 19 # molecular formula 257: ok 20 # molecular weight 257: ok 21 # molecular exact mass 257: ok 22 # molecular hydrogen-added formula 257: ok 23 # molecule + hydrogens weight 257: ok 24 # molecular exact mass after hydrogen addition 257: ok 25 # molecular formula 257: ok 26 # molecular weight 257: ok 27 # molecular exact mass 257: ok 28 # molecular hydrogen-added formula 257: ok 29 # molecule + hydrogens weight 257: ok 30 # molecular exact mass after hydrogen addition 257: ok 31 # molecular formula 257: ok 32 # molecular weight 257: ok 33 # molecular exact mass 257: ok 34 # molecular hydrogen-added formula 257: ok 35 # molecule + hydrogens weight 257: ok 36 # molecular exact mass after hydrogen addition 257: ok 37 # molecular formula 257: ok 38 # molecular weight 257: ok 39 # molecular exact mass 257: ok 40 # molecular hydrogen-added formula 257: ok 41 # molecule + hydrogens weight 257: ok 42 # molecular exact mass after hydrogen addition 257: ok 43 # molecular formula 257: ok 44 # molecular weight 257: ok 45 # molecular exact mass 257: ok 46 # molecular hydrogen-added formula 257: ok 47 # molecule + hydrogens weight 257: ok 48 # molecular exact mass after hydrogen addition 257: ok 49 # molecular formula 257: ok 50 # molecular weight 257: ok 51 # molecular exact mass 257: ok 52 # molecular hydrogen-added formula 257: ok 53 # molecule + hydrogens weight 257: ok 54 # molecular exact mass after hydrogen addition 257: ok 55 # molecular formula 257: ok 56 # molecular weight 257: ok 57 # molecular exact mass 257: ok 58 # molecular hydrogen-added formula 257: ok 59 # molecule + hydrogens weight 257: ok 60 # molecular exact mass after hydrogen addition 257: ok 61 # molecular formula 257: ok 62 # molecular weight 257: ok 63 # molecular exact mass 257: ok 64 # molecular hydrogen-added formula 257: ok 65 # molecule + hydrogens weight 257: ok 66 # molecular exact mass after hydrogen addition 257: ok 67 # molecular formula 257: ok 68 # molecular weight 257: ok 69 # molecular exact mass 257: ok 70 # molecular hydrogen-added formula 257: ok 71 # molecule + hydrogens weight 257: ok 72 # molecular exact mass after hydrogen addition 257: ok 73 # molecular formula 257: ok 74 # molecular weight 257: ok 75 # molecular exact mass 257: ok 76 # molecular hydrogen-added formula 257: ok 77 # molecule + hydrogens weight 257: ok 78 # molecular exact mass after hydrogen addition 257: ok 79 # molecular formula 257: ok 80 # molecular weight 257: ok 81 # molecular exact mass 257: ok 82 # molecular hydrogen-added formula 257: ok 83 # molecule + hydrogens weight 257: ok 84 # molecular exact mass after hydrogen addition 257: ok 85 # molecular formula 257: ok 86 # molecular weight 257: ok 87 # molecular exact mass 257: ok 88 # molecular hydrogen-added formula 257: ok 89 # molecule + hydrogens weight 257: ok 90 # molecular exact mass after hydrogen addition 257: ok 91 # molecular formula 257: ok 92 # molecular weight 257: ok 93 # molecular exact mass 257: ok 94 # molecular hydrogen-added formula 257: ok 95 # molecule + hydrogens weight 257: ok 96 # molecular exact mass after hydrogen addition 257: ok 97 # molecular formula 257: ok 98 # molecular weight 257: ok 99 # molecular exact mass 257: ok 100 # molecular hydrogen-added formula 257: ok 101 # molecule + hydrogens weight 257: ok 102 # molecular exact mass after hydrogen addition 257: ok 103 # molecular formula 257: ok 104 # molecular weight 257: ok 105 # molecular exact mass 257: ok 106 # molecular hydrogen-added formula 257: ok 107 # molecule + hydrogens weight 257: ok 108 # molecular exact mass after hydrogen addition 257: ok 109 # molecular formula 257: ok 110 # molecular weight 257: ok 111 # molecular exact mass 257: ok 112 # molecular hydrogen-added formula 257: ok 113 # molecule + hydrogens weight 257: ok 114 # molecular exact mass after hydrogen addition 257: ok 115 # molecular formula 257: ok 116 # molecular weight 257: ok 117 # molecular exact mass 257: ok 118 # molecular hydrogen-added formula 257: ok 119 # molecule + hydrogens weight 257: ok 120 # molecular exact mass after hydrogen addition 257: ok 121 # molecular formula 257: ok 122 # molecular weight 257: ok 123 # molecular exact mass 257: ok 124 # molecular hydrogen-added formula 257: ok 125 # molecule + hydrogens weight 257: ok 126 # molecular exact mass after hydrogen addition 257: ok 127 # molecular formula 257: ok 128 # molecular weight 257: ok 129 # molecular exact mass 257: ok 130 # molecular hydrogen-added formula 257: ok 131 # molecule + hydrogens weight 257: ok 132 # molecular exact mass after hydrogen addition 257: ok 133 # molecular formula 257: ok 134 # molecular weight 257: ok 135 # molecular exact mass 257: ok 136 # molecular hydrogen-added formula 257: ok 137 # molecule + hydrogens weight 257: ok 138 # molecular exact mass after hydrogen addition 257: ok 139 # molecular formula 257: ok 140 # molecular weight 257: ok 141 # molecular exact mass 257: ok 142 # molecular hydrogen-added formula 257: ok 143 # molecule + hydrogens weight 257: ok 144 # molecular exact mass after hydrogen addition 257: ok 145 # molecular formula 257: ok 146 # molecular weight 257: ok 147 # molecular exact mass 257: ok 148 # molecular hydrogen-added formula 257: ok 149 # molecule + hydrogens weight 257: ok 150 # molecular exact mass after hydrogen addition 257: ok 151 # molecular formula 257: ok 152 # molecular weight 257: ok 153 # molecular exact mass 257: ok 154 # molecular hydrogen-added formula 257: ok 155 # molecule + hydrogens weight 257: ok 156 # molecular exact mass after hydrogen addition 257: ok 157 # molecular formula 257: ok 158 # molecular weight 257: ok 159 # molecular exact mass 257: ok 160 # molecular hydrogen-added formula 257: ok 161 # molecule + hydrogens weight 257: ok 162 # molecular exact mass after hydrogen addition 257: ok 163 # molecular formula 257: ok 164 # molecular weight 257: ok 165 # molecular exact mass 257: ok 166 # molecular hydrogen-added formula 257: ok 167 # molecule + hydrogens weight 257: ok 168 # molecular exact mass after hydrogen addition 257: ok 169 # molecular formula 257: ok 170 # molecular weight 257: ok 171 # molecular exact mass 257: ok 172 # molecular hydrogen-added formula 257: ok 173 # molecule + hydrogens weight 257: ok 174 # molecular exact mass after hydrogen addition 257: ok 175 # molecular formula 257: ok 176 # molecular weight 257: ok 177 # molecular exact mass 257: ok 178 # molecular hydrogen-added formula 257: ok 179 # molecule + hydrogens weight 257: ok 180 # molecular exact mass after hydrogen addition 257: ok 181 # molecular formula 257: ok 182 # molecular weight 257: ok 183 # molecular exact mass 257: ok 184 # molecular hydrogen-added formula 257: ok 185 # molecule + hydrogens weight 257: ok 186 # molecular exact mass after hydrogen addition 257: ok 187 # molecular formula 257: ok 188 # molecular weight 257: ok 189 # molecular exact mass 257: ok 190 # molecular hydrogen-added formula 257: ok 191 # molecule + hydrogens weight 257: ok 192 # molecular exact mass after hydrogen addition 257: ok 193 # molecular formula 257: ok 194 # molecular weight 257: ok 195 # molecular exact mass 257: ok 196 # molecular hydrogen-added formula 257: ok 197 # molecule + hydrogens weight 257: ok 198 # molecular exact mass after hydrogen addition 257: ok 199 # molecular formula 257: ok 200 # molecular weight 257: ok 201 # molecular exact mass 257: ok 202 # molecular hydrogen-added formula 257: ok 203 # molecule + hydrogens weight 257: ok 204 # molecular exact mass after hydrogen addition 257: ok 205 # molecular formula 257: ok 206 # molecular weight 257: ok 207 # molecular exact mass 257: ok 208 # molecular hydrogen-added formula 257: ok 209 # molecule + hydrogens weight 257: ok 210 # molecular exact mass after hydrogen addition 257: ok 211 # molecular formula 257: ok 212 # molecular weight 257: ok 213 # molecular exact mass 257: ok 214 # molecular hydrogen-added formula 257: ok 215 # molecule + hydrogens weight 257: ok 216 # molecular exact mass after hydrogen addition 257: ok 217 # molecular formula 257: ok 218 # molecular weight 257: ok 219 # molecular exact mass 257: ok 220 # molecular hydrogen-added formula 257: ok 221 # molecule + hydrogens weight 257: ok 222 # molecular exact mass after hydrogen addition 257: ok 223 # molecular formula 257: ok 224 # molecular weight 257: ok 225 # molecular exact mass 257: ok 226 # molecular hydrogen-added formula 257: ok 227 # molecule + hydrogens weight 257: ok 228 # molecular exact mass after hydrogen addition 257: ok 229 # molecular formula 257: ok 230 # molecular weight 257: ok 231 # molecular exact mass 257: ok 232 # molecular hydrogen-added formula 257: ok 233 # molecule + hydrogens weight 257: ok 234 # molecular exact mass after hydrogen addition 257: ok 235 # molecular formula 257: ok 236 # molecular weight 257: ok 237 # molecular exact mass 257: ok 238 # molecular hydrogen-added formula 257: ok 239 # molecule + hydrogens weight 257: ok 240 # molecular exact mass after hydrogen addition 257: ok 241 # molecular formula 257: ok 242 # molecular weight 257: ok 243 # molecular exact mass 257: ok 244 # molecular hydrogen-added formula 257: ok 245 # molecule + hydrogens weight 257: ok 246 # molecular exact mass after hydrogen addition 257: ok 247 # molecular formula 257: ok 248 # molecular weight 257: ok 249 # molecular exact mass 257: ok 250 # molecular hydrogen-added formula 257: ok 251 # molecule + hydrogens weight 257: ok 252 # molecular exact mass after hydrogen addition 257: ok 253 # molecular formula 257: ok 254 # molecular weight 257: ok 255 # molecular exact mass 257: ok 256 # molecular hydrogen-added formula 257: ok 257 # molecule + hydrogens weight 257: ok 258 # molecular exact mass after hydrogen addition 257: ok 259 # molecular formula 257: ok 260 # molecular weight 257: ok 261 # molecular exact mass 257: ok 262 # molecular hydrogen-added formula 257: ok 263 # molecule + hydrogens weight 257: ok 264 # molecular exact mass after hydrogen addition 257: ok 265 # molecular formula 257: ok 266 # molecular weight 257: ok 267 # molecular exact mass 257: ok 268 # molecular hydrogen-added formula 257: ok 269 # molecule + hydrogens weight 257: ok 270 # molecular exact mass after hydrogen addition 257: ok 271 # molecular formula 257: ok 272 # molecular weight 257: ok 273 # molecular exact mass 257: ok 274 # molecular hydrogen-added formula 257: ok 275 # molecule + hydrogens weight 257: ok 276 # molecular exact mass after hydrogen addition 257: ok 277 # molecular formula 257: ok 278 # molecular weight 257: ok 279 # molecular exact mass 257: ok 280 # molecular hydrogen-added formula 257: ok 281 # molecule + hydrogens weight 257: ok 282 # molecular exact mass after hydrogen addition 257: ok 283 # molecular formula 257: ok 284 # molecular weight 257: ok 285 # molecular exact mass 257: ok 286 # molecular hydrogen-added formula 257: ok 287 # molecule + hydrogens weight 257: ok 288 # molecular exact mass after hydrogen addition 257: ok 289 # molecular formula 257: ok 290 # molecular weight 257: ok 291 # molecular exact mass 257: ok 292 # molecular hydrogen-added formula 257: ok 293 # molecule + hydrogens weight 257: ok 294 # molecular exact mass after hydrogen addition 257: ok 295 # molecular formula 257: ok 296 # molecular weight 257: ok 297 # molecular exact mass 257: ok 298 # molecular hydrogen-added formula 257: ok 299 # molecule + hydrogens weight 257: ok 300 # molecular exact mass after hydrogen addition 257: ok 301 # molecular formula 257: ok 302 # molecular weight 257: ok 303 # molecular exact mass 257: ok 304 # molecular hydrogen-added formula 257: ok 305 # molecule + hydrogens weight 257: ok 306 # molecular exact mass after hydrogen addition 257: ok 307 # molecular formula 257: ok 308 # molecular weight 257: ok 309 # molecular exact mass 257: ok 310 # molecular hydrogen-added formula 257: ok 311 # molecule + hydrogens weight 257: ok 312 # molecular exact mass after hydrogen addition 257: ok 313 # molecular formula 257: ok 314 # molecular weight 257: ok 315 # molecular exact mass 257: ok 316 # molecular hydrogen-added formula 257: ok 317 # molecule + hydrogens weight 257: ok 318 # molecular exact mass after hydrogen addition 257: ok 319 # molecular formula 257: ok 320 # molecular weight 257: ok 321 # molecular exact mass 257: ok 322 # molecular hydrogen-added formula 257: ok 323 # molecule + hydrogens weight 257: ok 324 # molecular exact mass after hydrogen addition 257: ok 325 # molecular formula 257: ok 326 # molecular weight 257: ok 327 # molecular exact mass 257: ok 328 # molecular hydrogen-added formula 257: ok 329 # molecule + hydrogens weight 257: ok 330 # molecular exact mass after hydrogen addition 257: ok 331 # molecular formula 257: ok 332 # molecular weight 257: ok 333 # molecular exact mass 257: ok 334 # molecular hydrogen-added formula 257: ok 335 # molecule + hydrogens weight 257: ok 336 # molecular exact mass after hydrogen addition 257: ok 337 # molecular formula 257: ok 338 # molecular weight 257: ok 339 # molecular exact mass 257: ok 340 # molecular hydrogen-added formula 257: ok 341 # molecule + hydrogens weight 257: ok 342 # molecular exact mass after hydrogen addition 257: ok 343 # molecular formula 257: ok 344 # molecular weight 257: ok 345 # molecular exact mass 257: ok 346 # molecular hydrogen-added formula 257: ok 347 # molecule + hydrogens weight 257: ok 348 # molecular exact mass after hydrogen addition 257: ok 349 # molecular formula 257: ok 350 # molecular weight 257: ok 351 # molecular exact mass 257: ok 352 # molecular hydrogen-added formula 257: ok 353 # molecule + hydrogens weight 257: ok 354 # molecular exact mass after hydrogen addition 257: ok 355 # molecular formula 257: ok 356 # molecular weight 257: ok 357 # molecular exact mass 257: ok 358 # molecular hydrogen-added formula 257: ok 359 # molecule + hydrogens weight 257: ok 360 # molecular exact mass after hydrogen addition 257: ok 361 # molecular formula 257: ok 362 # molecular weight 257: ok 363 # molecular exact mass 257: ok 364 # molecular hydrogen-added formula 257: ok 365 # molecule + hydrogens weight 257: ok 366 # molecular exact mass after hydrogen addition 257: ok 367 # molecular formula 257: ok 368 # molecular weight 257: ok 369 # molecular exact mass 257: ok 370 # molecular hydrogen-added formula 257: ok 371 # molecule + hydrogens weight 257: ok 372 # molecular exact mass after hydrogen addition 257: ok 373 # molecular formula 257: ok 374 # molecular weight 257: ok 375 # molecular exact mass 257: ok 376 # molecular hydrogen-added formula 257: ok 377 # molecule + hydrogens weight 257: ok 378 # molecular exact mass after hydrogen addition 257: ok 379 # molecular formula 257: ok 380 # molecular weight 257: ok 381 # molecular exact mass 257: ok 382 # molecular hydrogen-added formula 257: ok 383 # molecule + hydrogens weight 257: ok 384 # molecular exact mass after hydrogen addition 257: ok 385 # molecular formula 257: ok 386 # molecular weight 257: ok 387 # molecular exact mass 257: ok 388 # molecular hydrogen-added formula 257: ok 389 # molecule + hydrogens weight 257: ok 390 # molecular exact mass after hydrogen addition 257: ok 391 # molecular formula 257: ok 392 # molecular weight 257: ok 393 # molecular exact mass 257: ok 394 # molecular hydrogen-added formula 257: ok 395 # molecule + hydrogens weight 257: ok 396 # molecular exact mass after hydrogen addition 257: ok 397 # molecular formula 257: ok 398 # molecular weight 257: ok 399 # molecular exact mass 257: ok 400 # molecular hydrogen-added formula 257: ok 401 # molecule + hydrogens weight 257: ok 402 # molecular exact mass after hydrogen addition 257: ok 403 # molecular formula 257: ok 404 # molecular weight 257: ok 405 # molecular exact mass 257: ok 406 # molecular hydrogen-added formula 257: ok 407 # molecule + hydrogens weight 257: ok 408 # molecular exact mass after hydrogen addition 257: ok 409 # molecular formula 257: ok 410 # molecular weight 257: ok 411 # molecular exact mass 257: ok 412 # molecular hydrogen-added formula 257: ok 413 # molecule + hydrogens weight 257: ok 414 # molecular exact mass after hydrogen addition 257: ok 415 # molecular formula 257: ok 416 # molecular weight 257: ok 417 # molecular exact mass 257: ok 418 # molecular hydrogen-added formula 257: ok 419 # molecule + hydrogens weight 257: ok 420 # molecular exact mass after hydrogen addition 257: ok 421 # molecular formula 257: ok 422 # molecular weight 257: ok 423 # molecular exact mass 257: ok 424 # molecular hydrogen-added formula 257: ok 425 # molecule + hydrogens weight 257: ok 426 # molecular exact mass after hydrogen addition 257: ok 427 # molecular formula 257: ok 428 # molecular weight 257: ok 429 # molecular exact mass 257: ok 430 # molecular hydrogen-added formula 257: ok 431 # molecule + hydrogens weight 257: ok 432 # molecular exact mass after hydrogen addition 257: ok 433 # molecular formula 257: ok 434 # molecular weight 257: ok 435 # molecular exact mass 257: ok 436 # molecular hydrogen-added formula 257: ok 437 # molecule + hydrogens weight 257: ok 438 # molecular exact mass after hydrogen addition 257: ok 439 # molecular formula 257: ok 440 # molecular weight 257: ok 441 # molecular exact mass 257: ok 442 # molecular hydrogen-added formula 257: ok 443 # molecule + hydrogens weight 257: ok 444 # molecular exact mass after hydrogen addition 257: ok 445 # molecular formula 257: ok 446 # molecular weight 257: ok 447 # molecular exact mass 257: ok 448 # molecular hydrogen-added formula 257: ok 449 # molecule + hydrogens weight 257: ok 450 # molecular exact mass after hydrogen addition 257: ok 451 # molecular formula 257: ok 452 # molecular weight 257: ok 453 # molecular exact mass 257: ok 454 # molecular hydrogen-added formula 257: ok 455 # molecule + hydrogens weight 257: ok 456 # molecular exact mass after hydrogen addition 257: ok 457 # molecular formula 257: ok 458 # molecular weight 257: ok 459 # molecular exact mass 257: ok 460 # molecular hydrogen-added formula 257: ok 461 # molecule + hydrogens weight 257: ok 462 # molecular exact mass after hydrogen addition 257: ok 463 # molecular formula 257: ok 464 # molecular weight 257: ok 465 # molecular exact mass 257: ok 466 # molecular hydrogen-added formula 257: ok 467 # molecule + hydrogens weight 257: ok 468 # molecular exact mass after hydrogen addition 257: ok 469 # molecular formula 257: ok 470 # molecular weight 257: ok 471 # molecular exact mass 257: ok 472 # molecular hydrogen-added formula 257: ok 473 # molecule + hydrogens weight 257: ok 474 # molecular exact mass after hydrogen addition 257: ok 475 # molecular formula 257: ok 476 # molecular weight 257: ok 477 # molecular exact mass 257: ok 478 # molecular hydrogen-added formula 257: ok 479 # molecule + hydrogens weight 257: ok 480 # molecular exact mass after hydrogen addition 257: ok 481 # molecular formula 257: ok 482 # molecular weight 257: ok 483 # molecular exact mass 257: ok 484 # molecular hydrogen-added formula 257: ok 485 # molecule + hydrogens weight 257: ok 486 # molecular exact mass after hydrogen addition 257: ok 487 # molecular formula 257: ok 488 # molecular weight 257: ok 489 # molecular exact mass 257: ok 490 # molecular hydrogen-added formula 257: ok 491 # molecule + hydrogens weight 257: ok 492 # molecular exact mass after hydrogen addition 257: ok 493 # molecular formula 257: ok 494 # molecular weight 257: ok 495 # molecular exact mass 257: ok 496 # molecular hydrogen-added formula 257: ok 497 # molecule + hydrogens weight 257: ok 498 # molecular exact mass after hydrogen addition 257: ok 499 # molecular formula 257: ok 500 # molecular weight 257: ok 501 # molecular exact mass 257: ok 502 # molecular hydrogen-added formula 257: ok 503 # molecule + hydrogens weight 257: ok 504 # molecular exact mass after hydrogen addition 257: ok 505 # molecular formula 257: ok 506 # molecular weight 257: ok 507 # molecular exact mass 257: ok 508 # molecular hydrogen-added formula 257: ok 509 # molecule + hydrogens weight 257: ok 510 # molecular exact mass after hydrogen addition 257: ok 511 # molecular formula 257: ok 512 # molecular weight 257: ok 513 # molecular exact mass 257: ok 514 # molecular hydrogen-added formula 257: ok 515 # molecule + hydrogens weight 257: ok 516 # molecular exact mass after hydrogen addition 257: ok 517 # molecular formula 257: ok 518 # molecular weight 257: ok 519 # molecular exact mass 257: ok 520 # molecular hydrogen-added formula 257: ok 521 # molecule + hydrogens weight 257: ok 522 # molecular exact mass after hydrogen addition 257: ok 523 # molecular formula 257: ok 524 # molecular weight 257: ok 525 # molecular exact mass 257: ok 526 # molecular hydrogen-added formula 257: ok 527 # molecule + hydrogens weight 257: ok 528 # molecular exact mass after hydrogen addition 257: ok 529 # molecular formula 257: ok 530 # molecular weight 257: ok 531 # molecular exact mass 257: ok 532 # molecular hydrogen-added formula 257: ok 533 # molecule + hydrogens weight 257: ok 534 # molecular exact mass after hydrogen addition 257: ok 535 # molecular formula 257: ok 536 # molecular weight 257: ok 537 # molecular exact mass 257: ok 538 # molecular hydrogen-added formula 257: ok 539 # molecule + hydrogens weight 257: ok 540 # molecular exact mass after hydrogen addition 257: ok 541 # molecular formula 257: ok 542 # molecular weight 257: ok 543 # molecular exact mass 257: ok 544 # molecular hydrogen-added formula 257: ok 545 # molecule + hydrogens weight 257: ok 546 # molecular exact mass after hydrogen addition 257: ok 547 # molecular formula 257: ok 548 # molecular weight 257: ok 549 # molecular exact mass 257: ok 550 # molecular hydrogen-added formula 257: ok 551 # molecule + hydrogens weight 257: ok 552 # molecular exact mass after hydrogen addition 257: ok 553 # molecular formula 257: ok 554 # molecular weight 257: ok 555 # molecular exact mass 257: ok 556 # molecular hydrogen-added formula 257: ok 557 # molecule + hydrogens weight 257: ok 558 # molecular exact mass after hydrogen addition 257: ok 559 # molecular formula 257: ok 560 # molecular weight 257: ok 561 # molecular exact mass 257: ok 562 # molecular hydrogen-added formula 257: ok 563 # molecule + hydrogens weight 257: ok 564 # molecular exact mass after hydrogen addition 257: ok 565 # molecular formula 257: ok 566 # molecular weight 257: ok 567 # molecular exact mass 257: ok 568 # molecular hydrogen-added formula 257: ok 569 # molecule + hydrogens weight 257: ok 570 # molecular exact mass after hydrogen addition 257: ok 571 # molecular formula 257: ok 572 # molecular weight 257: ok 573 # molecular exact mass 257: ok 574 # molecular hydrogen-added formula 257: ok 575 # molecule + hydrogens weight 257: ok 576 # molecular exact mass after hydrogen addition 257: ok 577 # molecular formula 257: ok 578 # molecular weight 257: ok 579 # molecular exact mass 257: ok 580 # molecular hydrogen-added formula 257: ok 581 # molecule + hydrogens weight 257: ok 582 # molecular exact mass after hydrogen addition 257: ok 583 # molecular formula 257: ok 584 # molecular weight 257: ok 585 # molecular exact mass 257: ok 586 # molecular hydrogen-added formula 257: ok 587 # molecule + hydrogens weight 257: ok 588 # molecular exact mass after hydrogen addition 257: ok 589 # molecular formula 257: ok 590 # molecular weight 257: ok 591 # molecular exact mass 257: ok 592 # molecular hydrogen-added formula 257: ok 593 # molecule + hydrogens weight 257: ok 594 # molecular exact mass after hydrogen addition 257: ok 595 # molecular formula 257: ok 596 # molecular weight 257: ok 597 # molecular exact mass 257: ok 598 # molecular hydrogen-added formula 257: ok 599 # molecule + hydrogens weight 257: ok 600 # molecular exact mass after hydrogen addition 257: ok 601 # molecular formula 257: ok 602 # molecular weight 257: ok 603 # molecular exact mass 257: ok 604 # molecular hydrogen-added formula 257: ok 605 # molecule + hydrogens weight 257: ok 606 # molecular exact mass after hydrogen addition 257: ok 607 # molecular formula 257: ok 608 # molecular weight 257: ok 609 # molecular exact mass 257: ok 610 # molecular hydrogen-added formula 257: ok 611 # molecule + hydrogens weight 257: ok 612 # molecular exact mass after hydrogen addition 257: ok 613 # molecular formula 257: ok 614 # molecular weight 257: ok 615 # molecular exact mass 257: ok 616 # molecular hydrogen-added formula 257: ok 617 # molecule + hydrogens weight 257: ok 618 # molecular exact mass after hydrogen addition 257: ok 619 # molecular formula 257: ok 620 # molecular weight 257: ok 621 # molecular exact mass 257: ok 622 # molecular hydrogen-added formula 257: ok 623 # molecule + hydrogens weight 257: ok 624 # molecular exact mass after hydrogen addition 257: ok 625 # molecular formula 257: ok 626 # molecular weight 257: ok 627 # molecular exact mass 257: ok 628 # molecular hydrogen-added formula 257: ok 629 # molecule + hydrogens weight 257: ok 630 # molecular exact mass after hydrogen addition 257: ok 631 # molecular formula 257: ok 632 # molecular weight 257: ok 633 # molecular exact mass 257: ok 634 # molecular hydrogen-added formula 257: ok 635 # molecule + hydrogens weight 257: ok 636 # molecular exact mass after hydrogen addition 257: ok 637 # molecular formula 257: ok 638 # molecular weight 257: ok 639 # molecular exact mass 257: ok 640 # molecular hydrogen-added formula 257: ok 641 # molecule + hydrogens weight 257: ok 642 # molecular exact mass after hydrogen addition 257: ok 643 # molecular formula 257: ok 644 # molecular weight 257: ok 645 # molecular exact mass 257: ok 646 # molecular hydrogen-added formula 257: ok 647 # molecule + hydrogens weight 257: ok 648 # molecular exact mass after hydrogen addition 257: ok 649 # molecular formula 257: ok 650 # molecular weight 257: ok 651 # molecular exact mass 257: ok 652 # molecular hydrogen-added formula 257: ok 653 # molecule + hydrogens weight 257: ok 654 # molecular exact mass after hydrogen addition 257: ok 655 # molecular formula 257: ok 656 # molecular weight 257: ok 657 # molecular exact mass 257: ok 658 # molecular hydrogen-added formula 257: ok 659 # molecule + hydrogens weight 257: ok 660 # molecular exact mass after hydrogen addition 257: ok 661 # molecular formula 257: ok 662 # molecular weight 257: ok 663 # molecular exact mass 257: ok 664 # molecular hydrogen-added formula 257: ok 665 # molecule + hydrogens weight 257: ok 666 # molecular exact mass after hydrogen addition 257: ok 667 # molecular formula 257: ok 668 # molecular weight 257: ok 669 # molecular exact mass 257: ok 670 # molecular hydrogen-added formula 257: ok 671 # molecule + hydrogens weight 257: ok 672 # molecular exact mass after hydrogen addition 257: ok 673 # molecular formula 257: ok 674 # molecular weight 257: ok 675 # molecular exact mass 257: ok 676 # molecular hydrogen-added formula 257: ok 677 # molecule + hydrogens weight 257: ok 678 # molecular exact mass after hydrogen addition 257: ok 679 # molecular formula 257: ok 680 # molecular weight 257: ok 681 # molecular exact mass 257: ok 682 # molecular hydrogen-added formula 257: ok 683 # molecule + hydrogens weight 257: ok 684 # molecular exact mass after hydrogen addition 257: ok 685 # molecular formula 257: ok 686 # molecular weight 257: ok 687 # molecular exact mass 257: ok 688 # molecular hydrogen-added formula 257: ok 689 # molecule + hydrogens weight 257: ok 690 # molecular exact mass after hydrogen addition 257: ok 691 # molecular formula 257: ok 692 # molecular weight 257: ok 693 # molecular exact mass 257: ok 694 # molecular hydrogen-added formula 257: ok 695 # molecule + hydrogens weight 257: ok 696 # molecular exact mass after hydrogen addition 257: ok 697 # molecular formula 257: ok 698 # molecular weight 257: ok 699 # molecular exact mass 257: ok 700 # molecular hydrogen-added formula 257: ok 701 # molecule + hydrogens weight 257: ok 702 # molecular exact mass after hydrogen addition 257: ok 703 # molecular formula 257: ok 704 # molecular weight 257: ok 705 # molecular exact mass 257: ok 706 # molecular hydrogen-added formula 257: ok 707 # molecule + hydrogens weight 257: ok 708 # molecular exact mass after hydrogen addition 257: ok 709 # molecular formula 257: ok 710 # molecular weight 257: ok 711 # molecular exact mass 257: ok 712 # molecular hydrogen-added formula 257: ok 713 # molecule + hydrogens weight 257: ok 714 # molecular exact mass after hydrogen addition 257: ok 715 # molecular formula 257: ok 716 # molecular weight 257: ok 717 # molecular exact mass 257: ok 718 # molecular hydrogen-added formula 257: ok 719 # molecule + hydrogens weight 257: ok 720 # molecular exact mass after hydrogen addition 257: ok 721 # molecular formula 257: ok 722 # molecular weight 257: ok 723 # molecular exact mass 257: ok 724 # molecular hydrogen-added formula 257: ok 725 # molecule + hydrogens weight 257: ok 726 # molecular exact mass after hydrogen addition 257: ok 727 # molecular formula 257: ok 728 # molecular weight 257: ok 729 # molecular exact mass 257: ok 730 # molecular hydrogen-added formula 257: ok 731 # molecule + hydrogens weight 257: ok 732 # molecular exact mass after hydrogen addition 257: ok 733 # molecular formula 257: ok 734 # molecular weight 257: ok 735 # molecular exact mass 257: ok 736 # molecular hydrogen-added formula 257: ok 737 # molecule + hydrogens weight 257: ok 738 # molecular exact mass after hydrogen addition 257: ok 739 # molecular formula 257: ok 740 # molecular weight 257: ok 741 # molecular exact mass 257: ok 742 # molecular hydrogen-added formula 257: ok 743 # molecule + hydrogens weight 257: ok 744 # molecular exact mass after hydrogen addition 257: ok 745 # molecular formula 257: ok 746 # molecular weight 257: ok 747 # molecular exact mass 257: ok 748 # molecular hydrogen-added formula 257: ok 749 # molecule + hydrogens weight 257: ok 750 # molecular exact mass after hydrogen addition 257: ok 751 # molecular formula 257: ok 752 # molecular weight 257: ok 753 # molecular exact mass 257: ok 754 # molecular hydrogen-added formula 257: ok 755 # molecule + hydrogens weight 257: ok 756 # molecular exact mass after hydrogen addition 257: ok 757 # molecular formula 257: ok 758 # molecular weight 257: ok 759 # molecular exact mass 257: ok 760 # molecular hydrogen-added formula 257: ok 761 # molecule + hydrogens weight 257: ok 762 # molecular exact mass after hydrogen addition 257: ok 763 # molecular formula 257: ok 764 # molecular weight 257: ok 765 # molecular exact mass 257: ok 766 # molecular hydrogen-added formula 257: ok 767 # molecule + hydrogens weight 257: ok 768 # molecular exact mass after hydrogen addition 257: ok 769 # molecular formula 257: ok 770 # molecular weight 257: ok 771 # molecular exact mass 257: ok 772 # molecular hydrogen-added formula 257: ok 773 # molecule + hydrogens weight 257: ok 774 # molecular exact mass after hydrogen addition 257: ok 775 # molecular formula 257: ok 776 # molecular weight 257: ok 777 # molecular exact mass 257: ok 778 # molecular hydrogen-added formula 257: ok 779 # molecule + hydrogens weight 257: ok 780 # molecular exact mass after hydrogen addition 257: ok 781 # molecular formula 257: ok 782 # molecular weight 257: ok 783 # molecular exact mass 257: ok 784 # molecular hydrogen-added formula 257: ok 785 # molecule + hydrogens weight 257: ok 786 # molecular exact mass after hydrogen addition 257: ok 787 # molecular formula 257: ok 788 # molecular weight 257: ok 789 # molecular exact mass 257: ok 790 # molecular hydrogen-added formula 257: ok 791 # molecule + hydrogens weight 257: ok 792 # molecular exact mass after hydrogen addition 257: ok 793 # molecular formula 257: ok 794 # molecular weight 257: ok 795 # molecular exact mass 257: ok 796 # molecular hydrogen-added formula 257: ok 797 # molecule + hydrogens weight 257: ok 798 # molecular exact mass after hydrogen addition 257: ok 799 # molecular formula 257: ok 800 # molecular weight 257: ok 801 # molecular exact mass 257: ok 802 # molecular hydrogen-added formula 257: ok 803 # molecule + hydrogens weight 257: ok 804 # molecular exact mass after hydrogen addition 257: ok 805 # molecular formula 257: ok 806 # molecular weight 257: ok 807 # molecular exact mass 257: ok 808 # molecular hydrogen-added formula 257: ok 809 # molecule + hydrogens weight 257: ok 810 # molecular exact mass after hydrogen addition 257: ok 811 # molecular formula 257: ok 812 # molecular weight 257: ok 813 # molecular exact mass 257: ok 814 # molecular hydrogen-added formula 257: ok 815 # molecule + hydrogens weight 257: ok 816 # molecular exact mass after hydrogen addition 257: ok 817 # molecular formula 257: ok 818 # molecular weight 257: ok 819 # molecular exact mass 257: ok 820 # molecular hydrogen-added formula 257: ok 821 # molecule + hydrogens weight 257: ok 822 # molecular exact mass after hydrogen addition 257: ok 823 # molecular formula 257: ok 824 # molecular weight 257: ok 825 # molecular exact mass 257: ok 826 # molecular hydrogen-added formula 257: ok 827 # molecule + hydrogens weight 257: ok 828 # molecular exact mass after hydrogen addition 257: ok 829 # molecular formula 257: ok 830 # molecular weight 257: ok 831 # molecular exact mass 257: ok 832 # molecular hydrogen-added formula 257: ok 833 # molecule + hydrogens weight 257: ok 834 # molecular exact mass after hydrogen addition 257: ok 835 # molecular formula 257: ok 836 # molecular weight 257: ok 837 # molecular exact mass 257: ok 838 # molecular hydrogen-added formula 257: ok 839 # molecule + hydrogens weight 257: ok 840 # molecular exact mass after hydrogen addition 257: ok 841 # molecular formula 257: ok 842 # molecular weight 257: ok 843 # molecular exact mass 257: ok 844 # molecular hydrogen-added formula 257: ok 845 # molecule + hydrogens weight 257: ok 846 # molecular exact mass after hydrogen addition 257: ok 847 # molecular formula 257: ok 848 # molecular weight 257: ok 849 # molecular exact mass 257: ok 850 # molecular hydrogen-added formula 257: ok 851 # molecule + hydrogens weight 257: ok 852 # molecular exact mass after hydrogen addition 257: ok 853 # molecular formula 257: ok 854 # molecular weight 257: ok 855 # molecular exact mass 257: ok 856 # molecular hydrogen-added formula 257: ok 857 # molecule + hydrogens weight 257: ok 858 # molecular exact mass after hydrogen addition 257: ok 859 # molecular formula 257: ok 860 # molecular weight 257: ok 861 # molecular exact mass 257: ok 862 # molecular hydrogen-added formula 257: ok 863 # molecule + hydrogens weight 257: ok 864 # molecular exact mass after hydrogen addition 257: ok 865 # molecular formula 257: ok 866 # molecular weight 257: ok 867 # molecular exact mass 257: ok 868 # molecular hydrogen-added formula 257: ok 869 # molecule + hydrogens weight 257: ok 870 # molecular exact mass after hydrogen addition 257: ok 871 # molecular formula 257: ok 872 # molecular weight 257: ok 873 # molecular exact mass 257: ok 874 # molecular hydrogen-added formula 257: ok 875 # molecule + hydrogens weight 257: ok 876 # molecular exact mass after hydrogen addition 257: ok 877 # molecular formula 257: ok 878 # molecular weight 257: ok 879 # molecular exact mass 257: ok 880 # molecular hydrogen-added formula 257: ok 881 # molecule + hydrogens weight 257: ok 882 # molecular exact mass after hydrogen addition 257: ok 883 # molecular formula 257: ok 884 # molecular weight 257: ok 885 # molecular exact mass 257: ok 886 # molecular hydrogen-added formula 257: ok 887 # molecule + hydrogens weight 257: ok 888 # molecular exact mass after hydrogen addition 257: ok 889 # molecular formula 257: ok 890 # molecular weight 257: ok 891 # molecular exact mass 257: ok 892 # molecular hydrogen-added formula 257: ok 893 # molecule + hydrogens weight 257: ok 894 # molecular exact mass after hydrogen addition 257: ok 895 # molecular formula 257: ok 896 # molecular weight 257: ok 897 # molecular exact mass 257: ok 898 # molecular hydrogen-added formula 257: ok 899 # molecule + hydrogens weight 257: ok 900 # molecular exact mass after hydrogen addition 257: ok 901 # molecular formula 257: ok 902 # molecular weight 257: ok 903 # molecular exact mass 257: ok 904 # molecular hydrogen-added formula 257: ok 905 # molecule + hydrogens weight 257: ok 906 # molecular exact mass after hydrogen addition 257: ok 907 # molecular formula 257: ok 908 # molecular weight 257: ok 909 # molecular exact mass 257: ok 910 # molecular hydrogen-added formula 257: ok 911 # molecule + hydrogens weight 257: ok 912 # molecular exact mass after hydrogen addition 257: ok 913 # molecular formula 257: ok 914 # molecular weight 257: ok 915 # molecular exact mass 257: ok 916 # molecular hydrogen-added formula 257: ok 917 # molecule + hydrogens weight 257: ok 918 # molecular exact mass after hydrogen addition 257: ok 919 # molecular formula 257: ok 920 # molecular weight 257: ok 921 # molecular exact mass 257: ok 922 # molecular hydrogen-added formula 257: ok 923 # molecule + hydrogens weight 257: ok 924 # molecular exact mass after hydrogen addition 257: ok 925 # molecular formula 257: ok 926 # molecular weight 257: ok 927 # molecular exact mass 257: ok 928 # molecular hydrogen-added formula 257: ok 929 # molecule + hydrogens weight 257: ok 930 # molecular exact mass after hydrogen addition 257: ok 931 # molecular formula 257: ok 932 # molecular weight 257: ok 933 # molecular exact mass 257: ok 934 # molecular hydrogen-added formula 257: ok 935 # molecule + hydrogens weight 257: ok 936 # molecular exact mass after hydrogen addition 257: ok 937 # molecular formula 257: ok 938 # molecular weight 257: ok 939 # molecular exact mass 257: ok 940 # molecular hydrogen-added formula 257: ok 941 # molecule + hydrogens weight 257: ok 942 # molecular exact mass after hydrogen addition 257: ok 943 # molecular formula 257: ok 944 # molecular weight 257: ok 945 # molecular exact mass 257: ok 946 # molecular hydrogen-added formula 257: ok 947 # molecule + hydrogens weight 257: ok 948 # molecular exact mass after hydrogen addition 257: ok 949 # molecular formula 257: ok 950 # molecular weight 257: ok 951 # molecular exact mass 257: ok 952 # molecular hydrogen-added formula 257: ok 953 # molecule + hydrogens weight 257: ok 954 # molecular exact mass after hydrogen addition 257: ok 955 # molecular formula 257: ok 956 # molecular weight 257: ok 957 # molecular exact mass 257: ok 958 # molecular hydrogen-added formula 257: ok 959 # molecule + hydrogens weight 257: ok 960 # molecular exact mass after hydrogen addition 257: ok 961 # molecular formula 257: ok 962 # molecular weight 257: ok 963 # molecular exact mass 257: ok 964 # molecular hydrogen-added formula 257: ok 965 # molecule + hydrogens weight 257: ok 966 # molecular exact mass after hydrogen addition 257: ok 967 # molecular formula 257: ok 968 # molecular weight 257: ok 969 # molecular exact mass 257: ok 970 # molecular hydrogen-added formula 257: ok 971 # molecule + hydrogens weight 257: ok 972 # molecular exact mass after hydrogen addition 257: ok 973 # molecular formula 257: ok 974 # molecular weight 257: ok 975 # molecular exact mass 257: ok 976 # molecular hydrogen-added formula 257: ok 977 # molecule + hydrogens weight 257: ok 978 # molecular exact mass after hydrogen addition 257: ok 979 # molecular formula 257: ok 980 # molecular weight 257: ok 981 # molecular exact mass 257: ok 982 # molecular hydrogen-added formula 257: ok 983 # molecule + hydrogens weight 257: ok 984 # molecular exact mass after hydrogen addition 257: ok 985 # molecular formula 257: ok 986 # molecular weight 257: ok 987 # molecular exact mass 257: ok 988 # molecular hydrogen-added formula 257: ok 989 # molecule + hydrogens weight 257: ok 990 # molecular exact mass after hydrogen addition 257: ok 991 # molecular formula 257: ok 992 # molecular weight 257: ok 993 # molecular exact mass 257: ok 994 # molecular hydrogen-added formula 257: ok 995 # molecule + hydrogens weight 257: ok 996 # molecular exact mass after hydrogen addition 257: ok 997 # molecular formula 257: ok 998 # molecular weight 257: ok 999 # molecular exact mass 257: ok 1000 # molecular hydrogen-added formula 257: ok 1001 # molecule + hydrogens weight 257: ok 1002 # molecular exact mass after hydrogen addition 257: ok 1003 # molecular formula 257: ok 1004 # molecular weight 257: ok 1005 # molecular exact mass 257: ok 1006 # molecular hydrogen-added formula 257: ok 1007 # molecule + hydrogens weight 257: ok 1008 # molecular exact mass after hydrogen addition 257: ok 1009 # molecular formula 257: ok 1010 # molecular weight 257: ok 1011 # molecular exact mass 257: ok 1012 # molecular hydrogen-added formula 257: ok 1013 # molecule + hydrogens weight 257: ok 1014 # molecular exact mass after hydrogen addition 257: ok 1015 # molecular formula 257: ok 1016 # molecular weight 257: ok 1017 # molecular exact mass 257: ok 1018 # molecular hydrogen-added formula 257: ok 1019 # molecule + hydrogens weight 257: ok 1020 # molecular exact mass after hydrogen addition 257: ok 1021 # molecular formula 257: ok 1022 # molecular weight 257: ok 1023 # molecular exact mass 257: ok 1024 # molecular hydrogen-added formula 257: ok 1025 # molecule + hydrogens weight 257: ok 1026 # molecular exact mass after hydrogen addition 257: ok 1027 # molecular formula 257: ok 1028 # molecular weight 257: ok 1029 # molecular exact mass 257: ok 1030 # molecular hydrogen-added formula 257: ok 1031 # molecule + hydrogens weight 257: ok 1032 # molecular exact mass after hydrogen addition 257: ok 1033 # molecular formula 257: ok 1034 # molecular weight 257: ok 1035 # molecular exact mass 257: ok 1036 # molecular hydrogen-added formula 257: ok 1037 # molecule + hydrogens weight 257: ok 1038 # molecular exact mass after hydrogen addition 257: ok 1039 # molecular formula 257: ok 1040 # molecular weight 257: ok 1041 # molecular exact mass 257: ok 1042 # molecular hydrogen-added formula 257: ok 1043 # molecule + hydrogens weight 257: ok 1044 # molecular exact mass after hydrogen addition 257: ok 1045 # molecular formula 257: ok 1046 # molecular weight 257: ok 1047 # molecular exact mass 257: ok 1048 # molecular hydrogen-added formula 257: ok 1049 # molecule + hydrogens weight 257: ok 1050 # molecular exact mass after hydrogen addition 257: ok 1051 # molecular formula 257: ok 1052 # molecular weight 257: ok 1053 # molecular exact mass 257: ok 1054 # molecular hydrogen-added formula 257: ok 1055 # molecule + hydrogens weight 257: ok 1056 # molecular exact mass after hydrogen addition 257: ok 1057 # molecular formula 257: ok 1058 # molecular weight 257: ok 1059 # molecular exact mass 257: ok 1060 # molecular hydrogen-added formula 257: ok 1061 # molecule + hydrogens weight 257: ok 1062 # molecular exact mass after hydrogen addition 257: ok 1063 # molecular formula 257: ok 1064 # molecular weight 257: ok 1065 # molecular exact mass 257: ok 1066 # molecular hydrogen-added formula 257: ok 1067 # molecule + hydrogens weight 257: ok 1068 # molecular exact mass after hydrogen addition 257: ok 1069 # molecular formula 257: ok 1070 # molecular weight 257: ok 1071 # molecular exact mass 257: ok 1072 # molecular hydrogen-added formula 257: ok 1073 # molecule + hydrogens weight 257: ok 1074 # molecular exact mass after hydrogen addition 257: ok 1075 # molecular formula 257: ok 1076 # molecular weight 257: ok 1077 # molecular exact mass 257: ok 1078 # molecular hydrogen-added formula 257: ok 1079 # molecule + hydrogens weight 257: ok 1080 # molecular exact mass after hydrogen addition 257: ok 1081 # molecular formula 257: ok 1082 # molecular weight 257: ok 1083 # molecular exact mass 257: ok 1084 # molecular hydrogen-added formula 257: ok 1085 # molecule + hydrogens weight 257: ok 1086 # molecular exact mass after hydrogen addition 257: ok 1087 # molecular formula 257: ok 1088 # molecular weight 257: ok 1089 # molecular exact mass 257: ok 1090 # molecular hydrogen-added formula 257: ok 1091 # molecule + hydrogens weight 257: ok 1092 # molecular exact mass after hydrogen addition 257: ok 1093 # molecular formula 257: ok 1094 # molecular weight 257: ok 1095 # molecular exact mass 257: ok 1096 # molecular hydrogen-added formula 257: ok 1097 # molecule + hydrogens weight 257: ok 1098 # molecular exact mass after hydrogen addition 257: ok 1099 # molecular formula 257: ok 1100 # molecular weight 257: ok 1101 # molecular exact mass 257: ok 1102 # molecular hydrogen-added formula 257: ok 1103 # molecule + hydrogens weight 257: ok 1104 # molecular exact mass after hydrogen addition 257: ok 1105 # molecular formula 257: ok 1106 # molecular weight 257: ok 1107 # molecular exact mass 257: ok 1108 # molecular hydrogen-added formula 257: ok 1109 # molecule + hydrogens weight 257: ok 1110 # molecular exact mass after hydrogen addition 257: ok 1111 # molecular formula 257: ok 1112 # molecular weight 257: ok 1113 # molecular exact mass 257: ok 1114 # molecular hydrogen-added formula 257: ok 1115 # molecule + hydrogens weight 257: ok 1116 # molecular exact mass after hydrogen addition 257: ok 1117 # molecular formula 257: ok 1118 # molecular weight 257: ok 1119 # molecular exact mass 257: ok 1120 # molecular hydrogen-added formula 257: ok 1121 # molecule + hydrogens weight 257: ok 1122 # molecular exact mass after hydrogen addition 257: ok 1123 # molecular formula 257: ok 1124 # molecular weight 257: ok 1125 # molecular exact mass 257: ok 1126 # molecular hydrogen-added formula 257: ok 1127 # molecule + hydrogens weight 257: ok 1128 # molecular exact mass after hydrogen addition 257: ok 1129 # molecular formula 257: ok 1130 # molecular weight 257: ok 1131 # molecular exact mass 257: ok 1132 # molecular hydrogen-added formula 257: ok 1133 # molecule + hydrogens weight 257: ok 1134 # molecular exact mass after hydrogen addition 257: ok 1135 # molecular formula 257: ok 1136 # molecular weight 257: ok 1137 # molecular exact mass 257: ok 1138 # molecular hydrogen-added formula 257: ok 1139 # molecule + hydrogens weight 257: ok 1140 # molecular exact mass after hydrogen addition 257: ok 1141 # molecular formula 257: ok 1142 # molecular weight 257: ok 1143 # molecular exact mass 257: ok 1144 # molecular hydrogen-added formula 257: ok 1145 # molecule + hydrogens weight 257: ok 1146 # molecular exact mass after hydrogen addition 257: ok 1147 # molecular formula 257: ok 1148 # molecular weight 257: ok 1149 # molecular exact mass 257: ok 1150 # molecular hydrogen-added formula 257: ok 1151 # molecule + hydrogens weight 257: ok 1152 # molecular exact mass after hydrogen addition 257: ok 1153 # molecular formula 257: ok 1154 # molecular weight 257: ok 1155 # molecular exact mass 257: ok 1156 # molecular hydrogen-added formula 257: ok 1157 # molecule + hydrogens weight 257: ok 1158 # molecular exact mass after hydrogen addition 257: ok 1159 # molecular formula 257: ok 1160 # molecular weight 257: ok 1161 # molecular exact mass 257: ok 1162 # molecular hydrogen-added formula 257: ok 1163 # molecule + hydrogens weight 257: ok 1164 # molecular exact mass after hydrogen addition 257: ok 1165 # molecular formula 257: ok 1166 # molecular weight 257: ok 1167 # molecular exact mass 257: ok 1168 # molecular hydrogen-added formula 257: ok 1169 # molecule + hydrogens weight 257: ok 1170 # molecular exact mass after hydrogen addition 257: ok 1171 # molecular formula 257: ok 1172 # molecular weight 257: ok 1173 # molecular exact mass 257: ok 1174 # molecular hydrogen-added formula 257: ok 1175 # molecule + hydrogens weight 257: ok 1176 # molecular exact mass after hydrogen addition 257: ok 1177 # molecular formula 257: ok 1178 # molecular weight 257: ok 1179 # molecular exact mass 257: ok 1180 # molecular hydrogen-added formula 257: ok 1181 # molecule + hydrogens weight 257: ok 1182 # molecular exact mass after hydrogen addition 257: ok 1183 # molecular formula 257: ok 1184 # molecular weight 257: ok 1185 # molecular exact mass 257: ok 1186 # molecular hydrogen-added formula 257: ok 1187 # molecule + hydrogens weight 257: ok 1188 # molecular exact mass after hydrogen addition 257: ok 1189 # molecular formula 257: ok 1190 # molecular weight 257: ok 1191 # molecular exact mass 257: ok 1192 # molecular hydrogen-added formula 257: ok 1193 # molecule + hydrogens weight 257: ok 1194 # molecular exact mass after hydrogen addition 257: ok 1195 # molecular formula 257: ok 1196 # molecular weight 257: ok 1197 # molecular exact mass 257: ok 1198 # molecular hydrogen-added formula 257: ok 1199 # molecule + hydrogens weight 257: ok 1200 # molecular exact mass after hydrogen addition 257: ok 1201 # molecular formula 257: ok 1202 # molecular weight 257: ok 1203 # molecular exact mass 257: ok 1204 # molecular hydrogen-added formula 257: ok 1205 # molecule + hydrogens weight 257: ok 1206 # molecular exact mass after hydrogen addition 257: ok 1207 # molecular formula 257: ok 1208 # molecular weight 257: ok 1209 # molecular exact mass 257: ok 1210 # molecular hydrogen-added formula 257: ok 1211 # molecule + hydrogens weight 257: ok 1212 # molecular exact mass after hydrogen addition 257: ok 1213 # molecular formula 257: ok 1214 # molecular weight 257: ok 1215 # molecular exact mass 257: ok 1216 # molecular hydrogen-added formula 257: ok 1217 # molecule + hydrogens weight 257: ok 1218 # molecular exact mass after hydrogen addition 257: ok 1219 # molecular formula 257: ok 1220 # molecular weight 257: ok 1221 # molecular exact mass 257: ok 1222 # molecular hydrogen-added formula 257: ok 1223 # molecule + hydrogens weight 257: ok 1224 # molecular exact mass after hydrogen addition 257: ok 1225 # molecular formula 257: ok 1226 # molecular weight 257: ok 1227 # molecular exact mass 257: ok 1228 # molecular hydrogen-added formula 257: ok 1229 # molecule + hydrogens weight 257: ok 1230 # molecular exact mass after hydrogen addition 257: ok 1231 # molecular formula 257: ok 1232 # molecular weight 257: ok 1233 # molecular exact mass 257: ok 1234 # molecular hydrogen-added formula 257: ok 1235 # molecule + hydrogens weight 257: ok 1236 # molecular exact mass after hydrogen addition 257: ok 1237 # molecular formula 257: ok 1238 # molecular weight 257: ok 1239 # molecular exact mass 257: ok 1240 # molecular hydrogen-added formula 257: ok 1241 # molecule + hydrogens weight 257: ok 1242 # molecular exact mass after hydrogen addition 257: ok 1243 # molecular formula 257: ok 1244 # molecular weight 257: ok 1245 # molecular exact mass 257: ok 1246 # molecular hydrogen-added formula 257: ok 1247 # molecule + hydrogens weight 257: ok 1248 # molecular exact mass after hydrogen addition 257: ok 1249 # molecular formula 257: ok 1250 # molecular weight 257: ok 1251 # molecular exact mass 257: ok 1252 # molecular hydrogen-added formula 257: ok 1253 # molecule + hydrogens weight 257: ok 1254 # molecular exact mass after hydrogen addition 257: ok 1255 # molecular formula 257: ok 1256 # molecular weight 257: ok 1257 # molecular exact mass 257: ok 1258 # molecular hydrogen-added formula 257: ok 1259 # molecule + hydrogens weight 257: ok 1260 # molecular exact mass after hydrogen addition 257: ok 1261 # molecular formula 257: ok 1262 # molecular weight 257: ok 1263 # molecular exact mass 257: ok 1264 # molecular hydrogen-added formula 257: ok 1265 # molecule + hydrogens weight 257: ok 1266 # molecular exact mass after hydrogen addition 257: ok 1267 # molecular formula 257: ok 1268 # molecular weight 257: ok 1269 # molecular exact mass 257: ok 1270 # molecular hydrogen-added formula 257: ok 1271 # molecule + hydrogens weight 257: ok 1272 # molecular exact mass after hydrogen addition 257: ok 1273 # molecular formula 257: ok 1274 # molecular weight 257: ok 1275 # molecular exact mass 257: ok 1276 # molecular hydrogen-added formula 257: ok 1277 # molecule + hydrogens weight 257: ok 1278 # molecular exact mass after hydrogen addition 257: ok 1279 # molecular formula 257: ok 1280 # molecular weight 257: ok 1281 # molecular exact mass 257: ok 1282 # molecular hydrogen-added formula 257: ok 1283 # molecule + hydrogens weight 257: ok 1284 # molecular exact mass after hydrogen addition 257: ok 1285 # molecular formula 257: ok 1286 # molecular weight 257: ok 1287 # molecular exact mass 257: ok 1288 # molecular hydrogen-added formula 257: ok 1289 # molecule + hydrogens weight 257: ok 1290 # molecular exact mass after hydrogen addition 257: ok 1291 # molecular formula 257: ok 1292 # molecular weight 257: ok 1293 # molecular exact mass 257: ok 1294 # molecular hydrogen-added formula 257: ok 1295 # molecule + hydrogens weight 257: ok 1296 # molecular exact mass after hydrogen addition 257: ok 1297 # molecular formula 257: ok 1298 # molecular weight 257: ok 1299 # molecular exact mass 257: ok 1300 # molecular hydrogen-added formula 257: ok 1301 # molecule + hydrogens weight 257: ok 1302 # molecular exact mass after hydrogen addition 257: ok 1303 # molecular formula 257: ok 1304 # molecular weight 257: ok 1305 # molecular exact mass 257: ok 1306 # molecular hydrogen-added formula 257: ok 1307 # molecule + hydrogens weight 257: ok 1308 # molecular exact mass after hydrogen addition 257: ok 1309 # molecular formula 257: ok 1310 # molecular weight 257: ok 1311 # molecular exact mass 257: ok 1312 # molecular hydrogen-added formula 257: ok 1313 # molecule + hydrogens weight 257: ok 1314 # molecular exact mass after hydrogen addition 257: ok 1315 # molecular formula 257: ok 1316 # molecular weight 257: ok 1317 # molecular exact mass 257: ok 1318 # molecular hydrogen-added formula 257: ok 1319 # molecule + hydrogens weight 257: ok 1320 # molecular exact mass after hydrogen addition 257: ok 1321 # molecular formula 257: ok 1322 # molecular weight 257: ok 1323 # molecular exact mass 257: ok 1324 # molecular hydrogen-added formula 257: ok 1325 # molecule + hydrogens weight 257: ok 1326 # molecular exact mass after hydrogen addition 257: ok 1327 # molecular formula 257: ok 1328 # molecular weight 257: ok 1329 # molecular exact mass 257: ok 1330 # molecular hydrogen-added formula 257: ok 1331 # molecule + hydrogens weight 257: ok 1332 # molecular exact mass after hydrogen addition 257: ok 1333 # molecular formula 257: ok 1334 # molecular weight 257: ok 1335 # molecular exact mass 257: ok 1336 # molecular hydrogen-added formula 257: ok 1337 # molecule + hydrogens weight 257: ok 1338 # molecular exact mass after hydrogen addition 257: ok 1339 # molecular formula 257: ok 1340 # molecular weight 257: ok 1341 # molecular exact mass 257: ok 1342 # molecular hydrogen-added formula 257: ok 1343 # molecule + hydrogens weight 257: ok 1344 # molecular exact mass after hydrogen addition 257: ok 1345 # molecular formula 257: ok 1346 # molecular weight 257: ok 1347 # molecular exact mass 257: ok 1348 # molecular hydrogen-added formula 257: ok 1349 # molecule + hydrogens weight 257: ok 1350 # molecular exact mass after hydrogen addition 257: ok 1351 # molecular formula 257: ok 1352 # molecular weight 257: ok 1353 # molecular exact mass 257: ok 1354 # molecular hydrogen-added formula 257: ok 1355 # molecule + hydrogens weight 257: ok 1356 # molecular exact mass after hydrogen addition 257: ok 1357 # molecular formula 257: ok 1358 # molecular weight 257: ok 1359 # molecular exact mass 257: ok 1360 # molecular hydrogen-added formula 257: ok 1361 # molecule + hydrogens weight 257: ok 1362 # molecular exact mass after hydrogen addition 257: ok 1363 # molecular formula 257: ok 1364 # molecular weight 257: ok 1365 # molecular exact mass 257: ok 1366 # molecular hydrogen-added formula 257: ok 1367 # molecule + hydrogens weight 257: ok 1368 # molecular exact mass after hydrogen addition 257: ok 1369 # molecular formula 257: ok 1370 # molecular weight 257: ok 1371 # molecular exact mass 257: ok 1372 # molecular hydrogen-added formula 257: ok 1373 # molecule + hydrogens weight 257: ok 1374 # molecular exact mass after hydrogen addition 257: ok 1375 # molecular formula 257: ok 1376 # molecular weight 257: ok 1377 # molecular exact mass 257: ok 1378 # molecular hydrogen-added formula 257: ok 1379 # molecule + hydrogens weight 257: ok 1380 # molecular exact mass after hydrogen addition 257: ok 1381 # molecular formula 257: ok 1382 # molecular weight 257: ok 1383 # molecular exact mass 257: ok 1384 # molecular hydrogen-added formula 257: ok 1385 # molecule + hydrogens weight 257: ok 1386 # molecular exact mass after hydrogen addition 257: ok 1387 # molecular formula 257: ok 1388 # molecular weight 257: ok 1389 # molecular exact mass 257: ok 1390 # molecular hydrogen-added formula 257: ok 1391 # molecule + hydrogens weight 257: ok 1392 # molecular exact mass after hydrogen addition 257: ok 1393 # molecular formula 257: ok 1394 # molecular weight 257: ok 1395 # molecular exact mass 257: ok 1396 # molecular hydrogen-added formula 257: ok 1397 # molecule + hydrogens weight 257: ok 1398 # molecular exact mass after hydrogen addition 257: ok 1399 # molecular formula 257: ok 1400 # molecular weight 257: ok 1401 # molecular exact mass 257: ok 1402 # molecular hydrogen-added formula 257: ok 1403 # molecule + hydrogens weight 257: ok 1404 # molecular exact mass after hydrogen addition 257: ok 1405 # molecular formula 257: ok 1406 # molecular weight 257: ok 1407 # molecular exact mass 257: ok 1408 # molecular hydrogen-added formula 257: ok 1409 # molecule + hydrogens weight 257: ok 1410 # molecular exact mass after hydrogen addition 257: ok 1411 # molecular formula 257: ok 1412 # molecular weight 257: ok 1413 # molecular exact mass 257: ok 1414 # molecular hydrogen-added formula 257: ok 1415 # molecule + hydrogens weight 257: ok 1416 # molecular exact mass after hydrogen addition 257: ok 1417 # molecular formula 257: ok 1418 # molecular weight 257: ok 1419 # molecular exact mass 257: ok 1420 # molecular hydrogen-added formula 257: ok 1421 # molecule + hydrogens weight 257: ok 1422 # molecular exact mass after hydrogen addition 257: ok 1423 # molecular formula 257: ok 1424 # molecular weight 257: ok 1425 # molecular exact mass 257: ok 1426 # molecular hydrogen-added formula 257: ok 1427 # molecule + hydrogens weight 257: ok 1428 # molecular exact mass after hydrogen addition 257: ok 1429 # molecular formula 257: ok 1430 # molecular weight 257: ok 1431 # molecular exact mass 257: ok 1432 # molecular hydrogen-added formula 257: ok 1433 # molecule + hydrogens weight 257: ok 1434 # molecular exact mass after hydrogen addition 257: ok 1435 # molecular formula 257: ok 1436 # molecular weight 257: ok 1437 # molecular exact mass 257: ok 1438 # molecular hydrogen-added formula 257: ok 1439 # molecule + hydrogens weight 257: ok 1440 # molecular exact mass after hydrogen addition 257: ok 1441 # molecular formula 257: ok 1442 # molecular weight 257: ok 1443 # molecular exact mass 257: ok 1444 # molecular hydrogen-added formula 257: ok 1445 # molecule + hydrogens weight 257: ok 1446 # molecular exact mass after hydrogen addition 257: ok 1447 # molecular formula 257: ok 1448 # molecular weight 257: ok 1449 # molecular exact mass 257: ok 1450 # molecular hydrogen-added formula 257: ok 1451 # molecule + hydrogens weight 257: ok 1452 # molecular exact mass after hydrogen addition 257: ok 1453 # molecular formula 257: ok 1454 # molecular weight 257: ok 1455 # molecular exact mass 257: ok 1456 # molecular hydrogen-added formula 257: ok 1457 # molecule + hydrogens weight 257: ok 1458 # molecular exact mass after hydrogen addition 257: ok 1459 # molecular formula 257: ok 1460 # molecular weight 257: ok 1461 # molecular exact mass 257: ok 1462 # molecular hydrogen-added formula 257: ok 1463 # molecule + hydrogens weight 257: ok 1464 # molecular exact mass after hydrogen addition 257: ok 1465 # molecular formula 257: ok 1466 # molecular weight 257: ok 1467 # molecular exact mass 257: ok 1468 # molecular hydrogen-added formula 257: ok 1469 # molecule + hydrogens weight 257: ok 1470 # molecular exact mass after hydrogen addition 257: ok 1471 # molecular formula 257: ok 1472 # molecular weight 257: ok 1473 # molecular exact mass 257: ok 1474 # molecular hydrogen-added formula 257: ok 1475 # molecule + hydrogens weight 257: ok 1476 # molecular exact mass after hydrogen addition 257: ok 1477 # molecular formula 257: ok 1478 # molecular weight 257: ok 1479 # molecular exact mass 257: ok 1480 # molecular hydrogen-added formula 257: ok 1481 # molecule + hydrogens weight 257: ok 1482 # molecular exact mass after hydrogen addition 257: ok 1483 # molecular formula 257: ok 1484 # molecular weight 257: ok 1485 # molecular exact mass 257: ok 1486 # molecular hydrogen-added formula 257: ok 1487 # molecule + hydrogens weight 257: ok 1488 # molecular exact mass after hydrogen addition 257: ok 1489 # molecular formula 257: ok 1490 # molecular weight 257: ok 1491 # molecular exact mass 257: ok 1492 # molecular hydrogen-added formula 257: ok 1493 # molecule + hydrogens weight 257: ok 1494 # molecular exact mass after hydrogen addition 257: ok 1495 # molecular formula 257: ok 1496 # molecular weight 257: ok 1497 # molecular exact mass 257: ok 1498 # molecular hydrogen-added formula 257: ok 1499 # molecule + hydrogens weight 257: ok 1500 # molecular exact mass after hydrogen addition 257: ok 1501 # molecular formula 257: ok 1502 # molecular weight 257: ok 1503 # molecular exact mass 257: ok 1504 # molecular hydrogen-added formula 257: ok 1505 # molecule + hydrogens weight 257: ok 1506 # molecular exact mass after hydrogen addition 257: ok 1507 # molecular formula 257: ok 1508 # molecular weight 257: ok 1509 # molecular exact mass 257: ok 1510 # molecular hydrogen-added formula 257: ok 1511 # molecule + hydrogens weight 257: ok 1512 # molecular exact mass after hydrogen addition 257: ok 1513 # molecular formula 257: ok 1514 # molecular weight 257: ok 1515 # molecular exact mass 257: ok 1516 # molecular hydrogen-added formula 257: ok 1517 # molecule + hydrogens weight 257: ok 1518 # molecular exact mass after hydrogen addition 257: ok 1519 # molecular formula 257: ok 1520 # molecular weight 257: ok 1521 # molecular exact mass 257: ok 1522 # molecular hydrogen-added formula 257: ok 1523 # molecule + hydrogens weight 257: ok 1524 # molecular exact mass after hydrogen addition 257: ok 1525 # molecular formula 257: ok 1526 # molecular weight 257: ok 1527 # molecular exact mass 257: ok 1528 # molecular hydrogen-added formula 257: ok 1529 # molecule + hydrogens weight 257: ok 1530 # molecular exact mass after hydrogen addition 257: ok 1531 # molecular formula 257: ok 1532 # molecular weight 257: ok 1533 # molecular exact mass 257: ok 1534 # molecular hydrogen-added formula 257: ok 1535 # molecule + hydrogens weight 257: ok 1536 # molecular exact mass after hydrogen addition 257: ok 1537 # molecular formula 257: ok 1538 # molecular weight 257: ok 1539 # molecular exact mass 257: ok 1540 # molecular hydrogen-added formula 257: ok 1541 # molecule + hydrogens weight 257: ok 1542 # molecular exact mass after hydrogen addition 257: ok 1543 # molecular formula 257: ok 1544 # molecular weight 257: ok 1545 # molecular exact mass 257: ok 1546 # molecular hydrogen-added formula 257: ok 1547 # molecule + hydrogens weight 257: ok 1548 # molecular exact mass after hydrogen addition 257: ok 1549 # molecular formula 257: ok 1550 # molecular weight 257: ok 1551 # molecular exact mass 257: ok 1552 # molecular hydrogen-added formula 257: ok 1553 # molecule + hydrogens weight 257: ok 1554 # molecular exact mass after hydrogen addition 257: ok 1555 # molecular formula 257: ok 1556 # molecular weight 257: ok 1557 # molecular exact mass 257: ok 1558 # molecular hydrogen-added formula 257: ok 1559 # molecule + hydrogens weight 257: ok 1560 # molecular exact mass after hydrogen addition 257: ok 1561 # molecular formula 257: ok 1562 # molecular weight 257: ok 1563 # molecular exact mass 257: ok 1564 # molecular hydrogen-added formula 257: ok 1565 # molecule + hydrogens weight 257: ok 1566 # molecular exact mass after hydrogen addition 257: ok 1567 # molecular formula 257: ok 1568 # molecular weight 257: ok 1569 # molecular exact mass 257: ok 1570 # molecular hydrogen-added formula 257: ok 1571 # molecule + hydrogens weight 257: ok 1572 # molecular exact mass after hydrogen addition 257: ok 1573 # molecular formula 257: ok 1574 # molecular weight 257: ok 1575 # molecular exact mass 257: ok 1576 # molecular hydrogen-added formula 257: ok 1577 # molecule + hydrogens weight 257: ok 1578 # molecular exact mass after hydrogen addition 257: ok 1579 # molecular formula 257: ok 1580 # molecular weight 257: ok 1581 # molecular exact mass 257: ok 1582 # molecular hydrogen-added formula 257: ok 1583 # molecule + hydrogens weight 257: ok 1584 # molecular exact mass after hydrogen addition 257: ok 1585 # molecular formula 257: ok 1586 # molecular weight 257: ok 1587 # molecular exact mass 257: ok 1588 # molecular hydrogen-added formula 257: ok 1589 # molecule + hydrogens weight 257: ok 1590 # molecular exact mass after hydrogen addition 257: ok 1591 # molecular formula 257: ok 1592 # molecular weight 257: ok 1593 # molecular exact mass 257: ok 1594 # molecular hydrogen-added formula 257: ok 1595 # molecule + hydrogens weight 257: ok 1596 # molecular exact mass after hydrogen addition 257: ok 1597 # molecular formula 257: ok 1598 # molecular weight 257: ok 1599 # molecular exact mass 257: ok 1600 # molecular hydrogen-added formula 257: ok 1601 # molecule + hydrogens weight 257: ok 1602 # molecular exact mass after hydrogen addition 257: ok 1603 # molecular formula 257: ok 1604 # molecular weight 257: ok 1605 # molecular exact mass 257: ok 1606 # molecular hydrogen-added formula 257: ok 1607 # molecule + hydrogens weight 257: ok 1608 # molecular exact mass after hydrogen addition 257: ok 1609 # molecular formula 257: ok 1610 # molecular weight 257: ok 1611 # molecular exact mass 257: ok 1612 # molecular hydrogen-added formula 257: ok 1613 # molecule + hydrogens weight 257: ok 1614 # molecular exact mass after hydrogen addition 257: ok 1615 # molecular formula 257: ok 1616 # molecular weight 257: ok 1617 # molecular exact mass 257: ok 1618 # molecular hydrogen-added formula 257: ok 1619 # molecule + hydrogens weight 257: ok 1620 # molecular exact mass after hydrogen addition 257: ok 1621 # molecular formula 257: ok 1622 # molecular weight 257: ok 1623 # molecular exact mass 257: ok 1624 # molecular hydrogen-added formula 257: ok 1625 # molecule + hydrogens weight 257: ok 1626 # molecular exact mass after hydrogen addition 257: ok 1627 # molecular formula 257: ok 1628 # molecular weight 257: ok 1629 # molecular exact mass 257: ok 1630 # molecular hydrogen-added formula 257: ok 1631 # molecule + hydrogens weight 257: ok 1632 # molecular exact mass after hydrogen addition 257: ok 1633 # molecular formula 257: ok 1634 # molecular weight 257: ok 1635 # molecular exact mass 257: ok 1636 # molecular hydrogen-added formula 257: ok 1637 # molecule + hydrogens weight 257: ok 1638 # molecular exact mass after hydrogen addition 257: ok 1639 # molecular formula 257: ok 1640 # molecular weight 257: ok 1641 # molecular exact mass 257: ok 1642 # molecular hydrogen-added formula 257: ok 1643 # molecule + hydrogens weight 257: ok 1644 # molecular exact mass after hydrogen addition 257: 1..1644 252/333 Test #257: origtest_formula_1 .................................................................................. Passed 0.27 sec test 258 Start 258: origtest_internalcoord_1 258: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "internalcoord" "1" 258: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 258: Environment variables: 258: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 258: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 258: Test timeout computed to be: 1500 258: # Unit tests for z-matrix conversion 258: 1..2 258: ok 1 258: ok 2 253/333 Test #258: origtest_internalcoord_1 ............................................................................ Passed 0.02 sec test 259 Start 259: origtest_invalidsmarts_1 259: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "invalidsmarts" "1" 259: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 259: Environment variables: 259: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 259: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 259: Test timeout computed to be: 1500 259: # Testing invalid SMARTS parsing... 259: ok 1 259: ok 2 259: ok 3 259: ok 4 259: ok 5 259: ok 6 259: ok 7 259: ok 8 259: ok 9 259: ok 10 259: ok 11 259: ok 12 259: ok 13 259: ok 14 259: ok 15 259: ok 16 259: ok 17 259: ok 18 259: ok 19 259: ok 20 259: ok 21 259: ok 22 259: ok 23 259: ok 24 259: ok 25 259: ok 26 259: ok 27 259: ok 28 259: ok 29 259: ok 30 259: ok 31 259: ok 32 259: ok 33 259: ok 34 # random data #1 259: # read 104188 259: ok 35 # random data #2 259: # read 77768 259: ok 36 # random data #3 259: # read 100058 259: 1..36 254/333 Test #259: origtest_invalidsmarts_1 ............................................................................ Passed 0.02 sec test 260 Start 260: origtest_invalidsmiles_1 260: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "invalidsmiles" "1" 260: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 260: Environment variables: 260: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 260: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 260: Test timeout computed to be: 1500 260: Usage: invalid-smiles 260: Tests Open Babel SMILES parsing - rejecting invalid patterns. 255/333 Test #260: origtest_invalidsmiles_1 ............................................................................ Passed 0.02 sec test 261 Start 261: origtest_iterators_1 261: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "iterators" "1" 261: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 261: Environment variables: 261: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 261: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 261: Test timeout computed to be: 1500 261: 261: # Testing iterators... 261: ok 1 261: ok 2 261: ok 3 261: ok 4 261: ok 5 261: ok 6 261: ok 7 261: ok 8 261: ok 9 261: ok 10 261: ok 11 261: ok 12 261: ok 13 261: ok 14 261: ok 15 261: ok 16 261: ok 17 261: ok 18 261: ok 19 261: ok 20 261: ok 21 261: ok 22 261: ok 23 261: ok 24 261: ok 25 261: ok 26 261: ok 27 261: ok 28 261: ok 29 261: ok 30 261: ok 31 261: ok 32 261: ok 33 261: ok 34 261: ok 35 261: ok 36 261: ok 37 261: ok 38 261: ok 39 261: ok 40 261: ok 41 261: ok 42 261: ok 43 261: ok 44 261: ok 45 261: ok 46 261: ok 47 261: ok 48 261: ok 49 261: ok 50 261: ok 51 261: ok 52 261: ok 53 261: ok 54 261: ok 55 261: ok 56 261: ok 57 261: ok 58 261: ok 59 261: ok 60 261: ok 61 261: ok 62 261: ok 63 261: ok 64 261: ok 65 261: ok 66 261: ok 67 261: ok 68 261: ok 69 261: ok 70 261: ok 71 261: ok 72 261: ok 73 261: ok 74 261: ok 75 261: ok 76 261: ok 77 261: ok 78 261: ok 79 261: ok 80 261: ok 81 261: ok 82 261: ok 83 261: ok 84 261: ok 85 261: ok 86 261: ok 87 261: ok 88 261: ok 89 261: ok 90 261: ok 91 261: ok 92 261: ok 93 261: ok 94 261: ok 95 261: ok 96 261: ok 97 261: ok 98 261: ok 99 261: ok 100 261: ok 101 261: ok 102 261: ok 103 261: ok 104 261: ok 105 261: ok 106 261: ok 107 261: ok 108 261: ok 109 261: ok 110 261: ok 111 261: ok 112 261: ok 113 261: ok 114 261: ok 115 261: ok 116 261: ok 117 261: ok 118 261: ok 119 261: ok 120 261: ok 121 261: ok 122 261: ok 123 261: ok 124 261: ok 125 261: ok 126 261: ok 127 261: ok 128 261: ok 129 261: ok 130 261: ok 131 261: ok 132 261: ok 133 261: ok 134 261: ok 135 261: ok 136 261: ok 137 261: ok 138 261: ok 139 261: ok 140 261: ok 141 261: ok 142 261: ok 143 261: ok 144 261: ok 145 261: ok 146 261: ok 147 261: ok 148 261: ok 149 261: ok 150 261: ok 151 261: ok 152 261: ok 153 261: ok 154 261: ok 155 261: ok 156 261: ok 157 261: ok 158 261: ok 159 261: ok 160 261: ok 161 261: ok 162 261: ok 163 261: ok 164 261: ok 165 261: ok 166 261: ok 167 261: ok 168 261: ok 169 261: ok 170 261: ok 171 261: ok 172 261: ok 173 261: ok 174 261: ok 175 261: ok 176 261: ok 177 261: ok 178 261: ok 179 261: ok 180 261: ok 181 261: ok 182 261: ok 183 261: ok 184 261: ok 185 261: ok 186 261: ok 187 261: ok 188 261: ok 189 261: ok 190 261: ok 191 261: ok 192 261: ok 193 261: ok 194 261: ok 195 261: ok 196 261: ok 197 261: ok 198 261: ok 199 261: ok 200 261: ok 201 261: ok 202 261: ok 203 261: ok 204 261: ok 205 261: ok 206 261: ok 207 261: ok 208 261: ok 209 261: ok 210 261: ok 211 261: ok 212 261: ok 213 261: ok 214 261: ok 215 261: ok 216 261: ok 217 261: ok 218 261: ok 219 261: ok 220 261: ok 221 261: ok 222 261: ok 223 261: ok 224 261: ok 225 261: ok 226 261: ok 227 261: ok 228 261: ok 229 261: ok 230 261: ok 231 261: ok 232 261: ok 233 261: ok 234 261: ok 235 261: ok 236 261: ok 237 261: ok 238 261: ok 239 261: ok 240 261: ok 241 261: ok 242 261: ok 243 261: ok 244 261: ok 245 261: ok 246 261: ok 247 261: ok 248 261: ok 249 261: ok 250 261: ok 251 261: ok 252 261: ok 253 261: ok 254 261: ok 255 261: ok 256 261: ok 257 261: ok 258 261: ok 259 261: ok 260 261: ok 261 261: ok 262 261: ok 263 261: ok 264 261: ok 265 261: ok 266 261: ok 267 261: ok 268 261: ok 269 261: ok 270 261: ok 271 261: ok 272 261: ok 273 261: ok 274 261: ok 275 261: ok 276 261: ok 277 261: ok 278 261: ok 279 261: ok 280 261: ok 281 261: ok 282 261: ok 283 261: ok 284 261: ok 285 261: ok 286 261: ok 287 261: ok 288 261: ok 289 261: ok 290 261: ok 291 261: ok 292 261: ok 293 261: ok 294 261: ok 295 261: ok 296 261: ok 297 261: ok 298 261: ok 299 261: ok 300 261: ok 301 261: ok 302 261: ok 303 261: ok 304 261: ok 305 261: ok 306 261: ok 307 261: ok 308 261: ok 309 261: ok 310 261: ok 311 261: ok 312 261: ok 313 261: ok 314 261: ok 315 261: ok 316 261: ok 317 261: ok 318 261: ok 319 261: ok 320 261: ok 321 261: ok 322 261: ok 323 261: ok 324 261: ok 325 261: ok 326 261: ok 327 261: ok 328 261: ok 329 261: ok 330 261: ok 331 261: ok 332 261: ok 333 261: ok 334 261: ok 335 261: ok 336 261: ok 337 261: ok 338 261: ok 339 261: ok 340 261: ok 341 261: ok 342 261: ok 343 261: ok 344 261: ok 345 261: ok 346 261: ok 347 261: ok 348 261: ok 349 261: ok 350 261: ok 351 261: ok 352 261: ok 353 261: ok 354 261: ok 355 261: ok 356 261: ok 357 261: ok 358 261: ok 359 261: ok 360 261: ok 361 261: ok 362 261: ok 363 261: ok 364 261: ok 365 261: ok 366 261: ok 367 261: ok 368 261: ok 369 261: ok 370 261: ok 371 261: ok 372 261: ok 373 261: ok 374 261: ok 375 261: ok 376 261: ok 377 261: ok 378 261: ok 379 261: ok 380 261: ok 381 261: ok 382 261: ok 383 261: ok 384 261: ok 385 261: ok 386 261: ok 387 261: ok 388 261: ok 389 261: ok 390 261: ok 391 261: ok 392 261: ok 393 261: ok 394 261: ok 395 261: ok 396 261: ok 397 261: ok 398 261: ok 399 261: ok 400 261: ok 401 261: ok 402 261: ok 403 261: ok 404 261: ok 405 261: ok 406 261: ok 407 261: ok 408 261: ok 409 261: ok 410 261: ok 411 261: ok 412 261: ok 413 261: ok 414 261: ok 415 261: ok 416 261: ok 417 261: ok 418 261: ok 419 261: ok 420 261: ok 421 261: ok 422 261: ok 423 261: ok 424 261: ok 425 261: ok 426 261: ok 427 261: ok 428 261: ok 429 261: ok 430 261: ok 431 261: ok 432 261: ok 433 261: ok 434 261: ok 435 261: ok 436 261: ok 437 261: ok 438 261: ok 439 261: ok 440 261: ok 441 261: ok 442 261: ok 443 261: ok 444 261: ok 445 261: ok 446 261: ok 447 261: ok 448 261: ok 449 261: ok 450 261: ok 451 261: ok 452 261: ok 453 261: ok 454 261: ok 455 261: ok 456 261: ok 457 261: ok 458 261: ok 459 261: ok 460 261: ok 461 261: ok 462 261: ok 463 261: ok 464 261: ok 465 261: ok 466 261: ok 467 261: ok 468 261: ok 469 261: ok 470 261: ok 471 261: ok 472 261: ok 473 261: ok 474 261: ok 475 261: ok 476 261: ok 477 261: ok 478 261: ok 479 261: ok 480 261: ok 481 261: ok 482 261: ok 483 261: ok 484 261: ok 485 261: ok 486 261: ok 487 261: ok 488 261: ok 489 261: ok 490 261: ok 491 261: ok 492 261: ok 493 261: ok 494 261: ok 495 261: ok 496 261: ok 497 261: ok 498 261: ok 499 261: ok 500 261: ok 501 261: ok 502 261: ok 503 261: ok 504 261: ok 505 261: ok 506 261: ok 507 261: ok 508 261: ok 509 261: ok 510 261: ok 511 261: ok 512 261: ok 513 261: ok 514 261: ok 515 261: ok 516 261: ok 517 261: ok 518 261: ok 519 261: ok 520 261: ok 521 261: ok 522 261: ok 523 261: ok 524 261: ok 525 261: ok 526 261: ok 527 261: ok 528 261: ok 529 261: ok 530 261: ok 531 261: ok 532 261: ok 533 261: ok 534 261: ok 535 261: ok 536 261: ok 537 261: ok 538 261: ok 539 261: ok 540 261: ok 541 261: ok 542 261: ok 543 261: ok 544 261: ok 545 261: ok 546 261: ok 547 261: ok 548 261: ok 549 261: ok 550 261: ok 551 261: ok 552 261: ok 553 261: ok 554 261: ok 555 261: ok 556 261: ok 557 261: ok 558 261: ok 559 261: ok 560 261: ok 561 261: ok 562 261: ok 563 261: ok 564 261: ok 565 261: ok 566 261: ok 567 261: ok 568 261: ok 569 261: ok 570 261: ok 571 261: ok 572 261: ok 573 261: ok 574 261: ok 575 261: ok 576 261: ok 577 261: ok 578 261: ok 579 261: ok 580 261: ok 581 261: ok 582 261: ok 583 261: ok 584 261: ok 585 261: ok 586 261: ok 587 261: ok 588 261: ok 589 261: ok 590 261: ok 591 261: ok 592 261: ok 593 261: ok 594 261: ok 595 261: ok 596 261: ok 597 261: ok 598 261: ok 599 261: ok 600 261: ok 601 261: ok 602 261: ok 603 261: ok 604 261: ok 605 261: ok 606 261: ok 607 261: ok 608 261: ok 609 261: ok 610 261: ok 611 261: ok 612 261: ok 613 261: ok 614 261: ok 615 261: ok 616 261: ok 617 261: ok 618 261: ok 619 261: ok 620 261: ok 621 261: ok 622 261: ok 623 261: ok 624 261: ok 625 261: ok 626 261: ok 627 261: ok 628 261: ok 629 261: ok 630 261: ok 631 261: ok 632 261: ok 633 261: ok 634 261: ok 635 261: ok 636 261: ok 637 261: ok 638 261: ok 639 261: ok 640 261: ok 641 261: ok 642 261: ok 643 261: ok 644 261: ok 645 261: ok 646 261: ok 647 261: ok 648 261: ok 649 261: ok 650 261: ok 651 261: ok 652 261: ok 653 261: ok 654 261: ok 655 261: ok 656 261: ok 657 261: ok 658 261: ok 659 261: ok 660 261: ok 661 261: ok 662 261: ok 663 261: ok 664 261: ok 665 261: ok 666 261: ok 667 261: ok 668 261: ok 669 261: ok 670 261: ok 671 261: ok 672 261: ok 673 261: ok 674 261: ok 675 261: ok 676 261: ok 677 261: ok 678 261: ok 679 261: ok 680 261: ok 681 261: ok 682 261: ok 683 261: ok 684 261: ok 685 261: ok 686 261: ok 687 261: ok 688 261: ok 689 261: ok 690 261: ok 691 261: ok 692 261: ok 693 261: ok 694 261: ok 695 261: ok 696 261: ok 697 261: ok 698 261: ok 699 261: ok 700 261: ok 701 261: ok 702 261: ok 703 261: ok 704 261: ok 705 261: ok 706 261: ok 707 261: ok 708 261: ok 709 261: ok 710 261: ok 711 261: ok 712 261: ok 713 261: ok 714 261: ok 715 261: ok 716 261: ok 717 261: ok 718 261: ok 719 261: ok 720 261: ok 721 261: ok 722 261: ok 723 261: ok 724 261: ok 725 261: ok 726 261: ok 727 261: ok 728 261: ok 729 261: ok 730 261: ok 731 261: ok 732 261: ok 733 261: ok 734 261: ok 735 261: ok 736 261: ok 737 261: ok 738 261: ok 739 261: ok 740 261: ok 741 261: ok 742 261: ok 743 261: ok 744 261: ok 745 261: ok 746 261: ok 747 261: ok 748 261: ok 749 261: ok 750 261: ok 751 261: ok 752 261: ok 753 261: ok 754 261: ok 755 261: ok 756 261: ok 757 261: ok 758 261: ok 759 261: ok 760 261: ok 761 261: ok 762 261: ok 763 261: ok 764 261: ok 765 261: ok 766 261: ok 767 261: ok 768 261: ok 769 261: ok 770 261: ok 771 261: ok 772 261: ok 773 261: ok 774 261: ok 775 261: ok 776 261: ok 777 261: ok 778 261: ok 779 261: ok 780 261: ok 781 261: ok 782 261: ok 783 261: ok 784 261: ok 785 261: ok 786 261: ok 787 261: ok 788 261: ok 789 261: ok 790 261: ok 791 261: ok 792 261: ok 793 261: ok 794 261: ok 795 261: ok 796 261: ok 797 261: ok 798 261: ok 799 261: ok 800 261: ok 801 261: ok 802 261: ok 803 261: ok 804 261: ok 805 261: ok 806 261: ok 807 261: ok 808 261: ok 809 261: ok 810 261: ok 811 261: ok 812 261: ok 813 261: ok 814 261: ok 815 261: ok 816 261: ok 817 261: ok 818 261: ok 819 261: ok 820 261: ok 821 261: ok 822 261: ok 823 261: ok 824 261: ok 825 261: ok 826 261: ok 827 261: ok 828 261: ok 829 261: ok 830 261: ok 831 261: ok 832 261: ok 833 261: ok 834 261: ok 835 261: ok 836 261: ok 837 261: ok 838 261: ok 839 261: ok 840 261: ok 841 261: ok 842 261: ok 843 261: ok 844 261: ok 845 261: ok 846 261: ok 847 261: ok 848 261: ok 849 261: ok 850 261: ok 851 261: ok 852 261: ok 853 261: ok 854 261: ok 855 261: ok 856 261: ok 857 261: ok 858 261: ok 859 261: ok 860 261: ok 861 261: ok 862 261: ok 863 261: ok 864 261: ok 865 261: ok 866 261: ok 867 261: ok 868 261: ok 869 261: ok 870 261: ok 871 261: ok 872 261: ok 873 261: ok 874 261: ok 875 261: ok 876 261: ok 877 261: ok 878 261: ok 879 261: ok 880 261: ok 881 261: ok 882 261: ok 883 261: ok 884 261: ok 885 261: ok 886 261: ok 887 261: ok 888 261: ok 889 261: ok 890 261: ok 891 261: ok 892 261: ok 893 261: ok 894 261: ok 895 261: ok 896 261: ok 897 261: ok 898 261: ok 899 261: ok 900 261: ok 901 261: ok 902 261: ok 903 261: ok 904 261: ok 905 261: ok 906 261: ok 907 261: ok 908 261: ok 909 261: ok 910 261: ok 911 261: ok 912 261: ok 913 261: ok 914 261: ok 915 261: ok 916 261: ok 917 261: ok 918 261: ok 919 261: ok 920 261: ok 921 261: ok 922 261: ok 923 261: ok 924 261: ok 925 261: ok 926 261: ok 927 261: ok 928 261: ok 929 261: ok 930 261: ok 931 261: ok 932 261: ok 933 261: ok 934 261: ok 935 261: ok 936 261: ok 937 261: ok 938 261: ok 939 261: ok 940 261: ok 941 261: ok 942 261: ok 943 261: ok 944 261: ok 945 261: ok 946 261: ok 947 261: ok 948 261: ok 949 261: ok 950 261: ok 951 261: ok 952 261: ok 953 261: ok 954 261: ok 955 261: ok 956 261: ok 957 261: ok 958 261: ok 959 261: ok 960 261: ok 961 261: ok 962 261: ok 963 261: ok 964 261: ok 965 261: ok 966 261: ok 967 261: ok 968 261: ok 969 261: ok 970 261: ok 971 261: ok 972 261: ok 973 261: ok 974 261: ok 975 261: ok 976 261: ok 977 261: ok 978 261: ok 979 261: ok 980 261: ok 981 261: ok 982 261: ok 983 261: ok 984 261: ok 985 261: ok 986 261: ok 987 261: ok 988 261: ok 989 261: ok 990 261: ok 991 261: ok 992 261: ok 993 261: ok 994 261: ok 995 261: ok 996 261: ok 997 261: ok 998 261: ok 999 261: ok 1000 261: ok 1001 261: ok 1002 261: ok 1003 261: ok 1004 261: ok 1005 261: ok 1006 261: ok 1007 261: ok 1008 261: ok 1009 261: ok 1010 261: ok 1011 261: ok 1012 261: ok 1013 261: ok 1014 261: ok 1015 261: ok 1016 261: ok 1017 261: ok 1018 261: ok 1019 261: ok 1020 261: ok 1021 261: ok 1022 261: ok 1023 261: ok 1024 261: ok 1025 261: ok 1026 261: ok 1027 261: ok 1028 261: ok 1029 261: ok 1030 261: ok 1031 261: ok 1032 261: ok 1033 261: ok 1034 261: ok 1035 261: ok 1036 261: ok 1037 261: ok 1038 261: ok 1039 261: ok 1040 261: ok 1041 261: ok 1042 261: ok 1043 261: ok 1044 261: ok 1045 261: ok 1046 261: ok 1047 261: ok 1048 261: ok 1049 261: ok 1050 261: ok 1051 261: ok 1052 261: ok 1053 261: ok 1054 261: ok 1055 261: ok 1056 261: ok 1057 261: ok 1058 261: ok 1059 261: ok 1060 261: ok 1061 261: ok 1062 261: ok 1063 261: ok 1064 261: ok 1065 261: ok 1066 261: ok 1067 261: ok 1068 261: ok 1069 261: ok 1070 261: ok 1071 261: ok 1072 261: ok 1073 261: ok 1074 261: ok 1075 261: ok 1076 261: ok 1077 261: ok 1078 261: ok 1079 261: ok 1080 261: ok 1081 261: ok 1082 261: ok 1083 261: ok 1084 261: ok 1085 261: ok 1086 261: ok 1087 261: ok 1088 261: ok 1089 261: ok 1090 261: ok 1091 261: ok 1092 261: ok 1093 261: ok 1094 261: ok 1095 261: ok 1096 261: ok 1097 261: ok 1098 261: ok 1099 261: ok 1100 261: ok 1101 261: ok 1102 261: ok 1103 261: ok 1104 261: ok 1105 261: ok 1106 261: ok 1107 261: ok 1108 261: ok 1109 261: ok 1110 261: ok 1111 261: ok 1112 261: ok 1113 261: ok 1114 261: ok 1115 261: ok 1116 261: ok 1117 261: ok 1118 261: ok 1119 261: ok 1120 261: ok 1121 261: ok 1122 261: ok 1123 261: ok 1124 261: ok 1125 261: ok 1126 261: ok 1127 261: ok 1128 261: ok 1129 261: ok 1130 261: ok 1131 261: ok 1132 261: ok 1133 261: ok 1134 261: ok 1135 261: ok 1136 261: ok 1137 261: ok 1138 261: ok 1139 261: ok 1140 261: ok 1141 261: ok 1142 261: ok 1143 261: ok 1144 261: ok 1145 261: ok 1146 261: ok 1147 261: ok 1148 261: ok 1149 261: ok 1150 261: ok 1151 261: ok 1152 261: ok 1153 261: ok 1154 261: ok 1155 261: ok 1156 261: ok 1157 261: ok 1158 261: ok 1159 261: ok 1160 261: ok 1161 261: ok 1162 261: ok 1163 261: ok 1164 261: ok 1165 261: ok 1166 261: ok 1167 261: ok 1168 261: ok 1169 261: ok 1170 261: ok 1171 261: ok 1172 261: ok 1173 261: ok 1174 261: ok 1175 261: ok 1176 261: ok 1177 261: ok 1178 261: ok 1179 261: ok 1180 261: ok 1181 261: ok 1182 261: ok 1183 261: ok 1184 261: ok 1185 261: ok 1186 261: ok 1187 261: ok 1188 261: ok 1189 261: ok 1190 261: ok 1191 261: ok 1192 261: ok 1193 261: ok 1194 261: ok 1195 261: ok 1196 261: ok 1197 261: ok 1198 261: ok 1199 261: ok 1200 261: ok 1201 261: ok 1202 261: ok 1203 261: ok 1204 261: ok 1205 261: ok 1206 261: ok 1207 261: ok 1208 261: ok 1209 261: ok 1210 261: ok 1211 261: ok 1212 261: ok 1213 261: ok 1214 261: ok 1215 261: ok 1216 261: ok 1217 261: ok 1218 261: ok 1219 261: ok 1220 261: ok 1221 261: ok 1222 261: ok 1223 261: ok 1224 261: ok 1225 261: ok 1226 261: ok 1227 261: ok 1228 261: ok 1229 261: ok 1230 261: ok 1231 261: ok 1232 261: ok 1233 261: ok 1234 261: ok 1235 261: ok 1236 261: ok 1237 261: ok 1238 261: ok 1239 261: ok 1240 261: ok 1241 261: ok 1242 261: ok 1243 261: ok 1244 261: ok 1245 261: ok 1246 261: ok 1247 261: ok 1248 261: ok 1249 261: ok 1250 261: ok 1251 261: ok 1252 261: ok 1253 261: ok 1254 261: ok 1255 261: ok 1256 261: ok 1257 261: ok 1258 261: ok 1259 261: ok 1260 261: ok 1261 261: ok 1262 261: ok 1263 261: ok 1264 261: ok 1265 261: ok 1266 261: ok 1267 261: ok 1268 261: ok 1269 261: ok 1270 261: ok 1271 261: ok 1272 261: ok 1273 261: ok 1274 261: ok 1275 261: ok 1276 261: ok 1277 261: ok 1278 261: ok 1279 261: ok 1280 261: ok 1281 261: ok 1282 261: ok 1283 261: ok 1284 261: ok 1285 261: ok 1286 261: ok 1287 261: ok 1288 261: ok 1289 261: ok 1290 261: ok 1291 261: ok 1292 261: ok 1293 261: ok 1294 261: ok 1295 261: ok 1296 261: ok 1297 261: ok 1298 261: ok 1299 261: ok 1300 261: ok 1301 261: ok 1302 261: ok 1303 261: ok 1304 261: ok 1305 261: ok 1306 261: ok 1307 261: ok 1308 261: ok 1309 261: ok 1310 261: ok 1311 261: ok 1312 261: ok 1313 261: ok 1314 261: ok 1315 261: ok 1316 261: ok 1317 261: ok 1318 261: ok 1319 261: ok 1320 261: ok 1321 261: ok 1322 261: ok 1323 261: ok 1324 261: ok 1325 261: ok 1326 261: ok 1327 261: ok 1328 261: ok 1329 261: ok 1330 261: ok 1331 261: ok 1332 261: ok 1333 261: ok 1334 261: ok 1335 261: ok 1336 261: ok 1337 261: ok 1338 261: ok 1339 261: ok 1340 261: ok 1341 261: ok 1342 261: ok 1343 261: ok 1344 261: ok 1345 261: ok 1346 261: ok 1347 261: ok 1348 261: ok 1349 261: ok 1350 261: ok 1351 261: ok 1352 261: 1..1352 256/333 Test #261: origtest_iterators_1 ................................................................................ Passed 0.18 sec test 262 Start 262: origtest_logp_psa_1 262: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "logp_psa" "1" 262: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 262: Environment variables: 262: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 262: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 262: Test timeout computed to be: 1500 262: # Unit tests for OBLogP and OBPSA 262: 1..7 262: ok 1 262: ok 2 # 1.4008 262: ok 3 # 29.46 262: ok 4 # 2.5815 262: ok 5 # 0 262: ok 6 # 2.0264 262: ok 7 # 29.1 257/333 Test #262: origtest_logp_psa_1 ................................................................................. Passed 0.14 sec test 263 Start 263: origtest_math_1 263: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "math" "1" 263: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 263: Environment variables: 263: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 263: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 263: Test timeout computed to be: 1500 263: # math: repeating each test 1000 times 263: # Testing MMFF94 Force Field... 263: # math: entering testBasics_vector3 263: ok 1 263: ok 2 263: ok 3 263: ok 4 263: ok 5 263: ok 6 263: ok 7 263: ok 8 263: ok 9 263: ok 10 263: ok 11 263: ok 12 263: ok 13 263: ok 14 263: ok 15 263: ok 16 263: ok 17 263: ok 18 263: ok 19 263: ok 20 263: ok 21 263: ok 22 263: ok 23 263: ok 24 263: ok 25 263: ok 26 263: ok 27 263: ok 28 263: ok 29 263: ok 30 263: ok 31 263: ok 32 263: ok 33 263: ok 34 263: ok 35 263: ok 36 263: ok 37 263: ok 38 263: ok 39 263: ok 40 263: ok 41 263: ok 42 263: ok 43 263: ok 44 263: ok 45 263: ok 46 263: ok 47 263: ok 48 263: ok 49 263: ok 50 263: ok 51 263: ok 52 263: ok 53 263: ok 54 263: ok 55 263: ok 56 263: ok 57 263: ok 58 263: ok 59 263: ok 60 263: ok 61 263: ok 62 263: ok 63 263: ok 64 263: ok 65 263: ok 66 263: ok 67 263: ok 68 263: ok 69 263: ok 70 263: ok 71 263: ok 72 263: ok 73 263: ok 74 263: ok 75 263: ok 76 263: ok 77 263: ok 78 263: ok 79 263: ok 80 263: ok 81 263: ok 82 263: ok 83 263: ok 84 263: ok 85 263: ok 86 263: ok 87 263: ok 88 263: ok 89 263: ok 90 263: ok 91 263: ok 92 263: ok 93 263: ok 94 263: ok 95 263: ok 96 263: ok 97 263: ok 98 263: ok 99 263: ok 100 263: ok 101 263: ok 102 263: ok 103 263: ok 104 263: ok 105 263: ok 106 263: ok 107 263: ok 108 263: ok 109 263: ok 110 263: ok 111 263: ok 112 263: ok 113 263: ok 114 263: ok 115 263: ok 116 263: ok 117 263: ok 118 263: ok 119 263: ok 120 263: ok 121 263: ok 122 263: ok 123 263: ok 124 263: ok 125 263: ok 126 263: ok 127 263: ok 128 263: ok 129 263: ok 130 263: ok 131 263: ok 132 263: ok 133 263: ok 134 263: ok 135 263: ok 136 263: ok 137 263: ok 138 263: ok 139 263: ok 140 263: ok 141 263: ok 142 263: ok 143 263: ok 144 263: ok 145 263: ok 146 263: ok 147 263: ok 148 263: ok 149 263: ok 150 263: ok 151 263: ok 152 263: ok 153 263: ok 154 263: ok 155 263: ok 156 263: ok 157 263: ok 158 263: ok 159 263: ok 160 263: ok 161 263: ok 162 263: ok 163 263: ok 164 263: ok 165 263: ok 166 263: ok 167 263: ok 168 263: ok 169 263: ok 170 263: ok 171 263: ok 172 263: ok 173 263: ok 174 263: ok 175 263: ok 176 263: ok 177 263: ok 178 263: ok 179 263: ok 180 263: ok 181 263: ok 182 263: ok 183 263: ok 184 263: ok 185 263: ok 186 263: ok 187 263: ok 188 263: ok 189 263: ok 190 263: ok 191 263: ok 192 263: ok 193 263: ok 194 263: ok 195 263: ok 196 263: ok 197 263: ok 198 263: ok 199 263: ok 200 263: ok 201 263: ok 202 263: ok 203 263: ok 204 263: ok 205 263: ok 206 263: ok 207 263: ok 208 263: ok 209 263: ok 210 263: ok 211 263: ok 212 263: ok 213 263: ok 214 263: ok 215 263: ok 216 263: ok 217 263: ok 218 263: ok 219 263: ok 220 263: ok 221 263: ok 222 263: ok 223 263: ok 224 263: ok 225 263: ok 226 263: ok 227 263: ok 228 263: ok 229 263: ok 230 263: ok 231 263: ok 232 263: ok 233 263: ok 234 263: ok 235 263: ok 236 263: ok 237 263: ok 238 263: ok 239 263: ok 240 263: ok 241 263: ok 242 263: ok 243 263: ok 244 263: ok 245 263: ok 246 263: ok 247 263: ok 248 263: ok 249 263: ok 250 263: ok 251 263: ok 252 263: ok 253 263: ok 254 263: ok 255 263: ok 256 263: ok 257 263: ok 258 263: ok 259 263: ok 260 263: ok 261 263: ok 262 263: ok 263 263: ok 264 263: ok 265 263: ok 266 263: ok 267 263: ok 268 263: ok 269 263: ok 270 263: ok 271 263: ok 272 263: ok 273 263: ok 274 263: ok 275 263: ok 276 263: ok 277 263: ok 278 263: ok 279 263: ok 280 263: ok 281 263: ok 282 263: ok 283 263: ok 284 263: ok 285 263: ok 286 263: ok 287 263: ok 288 263: ok 289 263: ok 290 263: ok 291 263: ok 292 263: ok 293 263: ok 294 263: ok 295 263: ok 296 263: ok 297 263: ok 298 263: ok 299 263: ok 300 263: ok 301 263: ok 302 263: ok 303 263: ok 304 263: ok 305 263: ok 306 263: ok 307 263: ok 308 263: ok 309 263: ok 310 263: ok 311 263: ok 312 263: ok 313 263: ok 314 263: ok 315 263: ok 316 263: ok 317 263: ok 318 263: ok 319 263: ok 320 263: ok 321 263: ok 322 263: ok 323 263: ok 324 263: ok 325 263: ok 326 263: ok 327 263: ok 328 263: ok 329 263: ok 330 263: ok 331 263: ok 332 263: ok 333 263: ok 334 263: ok 335 263: ok 336 263: ok 337 263: ok 338 263: ok 339 263: ok 340 263: ok 341 263: ok 342 263: ok 343 263: ok 344 263: ok 345 263: ok 346 263: ok 347 263: ok 348 263: ok 349 263: ok 350 263: ok 351 263: ok 352 263: ok 353 263: ok 354 263: ok 355 263: ok 356 263: ok 357 263: ok 358 263: ok 359 263: ok 360 263: ok 361 263: ok 362 263: ok 363 263: ok 364 263: ok 365 263: ok 366 263: ok 367 263: ok 368 263: ok 369 263: ok 370 263: ok 371 263: ok 372 263: ok 373 263: ok 374 263: ok 375 263: ok 376 263: ok 377 263: ok 378 263: ok 379 263: ok 380 263: ok 381 263: ok 382 263: ok 383 263: ok 384 263: ok 385 263: ok 386 263: ok 387 263: ok 388 263: ok 389 263: ok 390 263: ok 391 263: ok 392 263: ok 393 263: ok 394 263: ok 395 263: ok 396 263: ok 397 263: ok 398 263: ok 399 263: ok 400 263: ok 401 263: ok 402 263: ok 403 263: ok 404 263: ok 405 263: ok 406 263: ok 407 263: ok 408 263: ok 409 263: ok 410 263: ok 411 263: ok 412 263: ok 413 263: ok 414 263: ok 415 263: ok 416 263: ok 417 263: ok 418 263: ok 419 263: ok 420 263: ok 421 263: ok 422 263: ok 423 263: ok 424 263: ok 425 263: ok 426 263: ok 427 263: ok 428 263: ok 429 263: ok 430 263: ok 431 263: ok 432 263: ok 433 263: ok 434 263: ok 435 263: ok 436 263: ok 437 263: ok 438 263: ok 439 263: ok 440 263: ok 441 263: ok 442 263: ok 443 263: ok 444 263: ok 445 263: ok 446 263: ok 447 263: ok 448 263: ok 449 263: ok 450 263: ok 451 263: ok 452 263: ok 453 263: ok 454 263: ok 455 263: ok 456 263: ok 457 263: ok 458 263: ok 459 263: ok 460 263: ok 461 263: ok 462 263: ok 463 263: ok 464 263: ok 465 263: ok 466 263: ok 467 263: ok 468 263: ok 469 263: ok 470 263: ok 471 263: ok 472 263: ok 473 263: ok 474 263: ok 475 263: ok 476 263: ok 477 263: ok 478 263: ok 479 263: ok 480 263: ok 481 263: ok 482 263: ok 483 263: ok 484 263: ok 485 263: ok 486 263: ok 487 263: ok 488 263: ok 489 263: ok 490 263: ok 491 263: ok 492 263: ok 493 263: ok 494 263: ok 495 263: ok 496 263: ok 497 263: ok 498 263: ok 499 263: ok 500 263: ok 501 263: ok 502 263: ok 503 263: ok 504 263: ok 505 263: ok 506 263: ok 507 263: ok 508 263: ok 509 263: ok 510 263: ok 511 263: ok 512 263: ok 513 263: ok 514 263: ok 515 263: ok 516 263: ok 517 263: ok 518 263: ok 519 263: ok 520 263: ok 521 263: ok 522 263: ok 523 263: ok 524 263: ok 525 263: ok 526 263: ok 527 263: ok 528 263: ok 529 263: ok 530 263: ok 531 263: ok 532 263: ok 533 263: ok 534 263: ok 535 263: ok 536 263: ok 537 263: ok 538 263: ok 539 263: ok 540 263: ok 541 263: ok 542 263: ok 543 263: ok 544 263: ok 545 263: ok 546 263: ok 547 263: ok 548 263: ok 549 263: ok 550 263: ok 551 263: ok 552 263: ok 553 263: ok 554 263: ok 555 263: ok 556 263: ok 557 263: ok 558 263: ok 559 263: ok 560 263: ok 561 263: ok 562 263: ok 563 263: ok 564 263: ok 565 263: ok 566 263: ok 567 263: ok 568 263: ok 569 263: ok 570 263: ok 571 263: ok 572 263: ok 573 263: ok 574 263: ok 575 263: ok 576 263: ok 577 263: ok 578 263: ok 579 263: ok 580 263: ok 581 263: ok 582 263: ok 583 263: ok 584 263: ok 585 263: ok 586 263: ok 587 263: ok 588 263: ok 589 263: ok 590 263: ok 591 263: ok 592 263: ok 593 263: ok 594 263: ok 595 263: ok 596 263: ok 597 263: ok 598 263: ok 599 263: ok 600 263: ok 601 263: ok 602 263: ok 603 263: ok 604 263: ok 605 263: ok 606 263: ok 607 263: ok 608 263: ok 609 263: ok 610 263: ok 611 263: ok 612 263: ok 613 263: ok 614 263: ok 615 263: ok 616 263: ok 617 263: ok 618 263: ok 619 263: ok 620 263: ok 621 263: ok 622 263: ok 623 263: ok 624 263: ok 625 263: ok 626 263: ok 627 263: ok 628 263: ok 629 263: ok 630 263: ok 631 263: ok 632 263: ok 633 263: ok 634 263: ok 635 263: ok 636 263: ok 637 263: ok 638 263: ok 639 263: ok 640 263: ok 641 263: ok 642 263: ok 643 263: ok 644 263: ok 645 263: ok 646 263: ok 647 263: ok 648 263: ok 649 263: ok 650 263: ok 651 263: ok 652 263: ok 653 263: ok 654 263: ok 655 263: ok 656 263: ok 657 263: ok 658 263: ok 659 263: ok 660 263: ok 661 263: ok 662 263: ok 663 263: ok 664 263: ok 665 263: ok 666 263: ok 667 263: ok 668 263: ok 669 263: ok 670 263: ok 671 263: ok 672 263: ok 673 263: ok 674 263: ok 675 263: ok 676 263: ok 677 263: ok 678 263: ok 679 263: ok 680 263: ok 681 263: ok 682 263: ok 683 263: ok 684 263: ok 685 263: ok 686 263: ok 687 263: ok 688 263: ok 689 263: ok 690 263: ok 691 263: ok 692 263: ok 693 263: ok 694 263: ok 695 263: ok 696 263: ok 697 263: ok 698 263: ok 699 263: ok 700 263: ok 701 263: ok 702 263: ok 703 263: ok 704 263: ok 705 263: ok 706 263: ok 707 263: ok 708 263: ok 709 263: ok 710 263: ok 711 263: ok 712 263: ok 713 263: ok 714 263: ok 715 263: ok 716 263: ok 717 263: ok 718 263: ok 719 263: ok 720 263: ok 721 263: ok 722 263: ok 723 263: ok 724 263: ok 725 263: ok 726 263: ok 727 263: ok 728 263: ok 729 263: ok 730 263: ok 731 263: ok 732 263: ok 733 263: ok 734 263: ok 735 263: ok 736 263: ok 737 263: ok 738 263: ok 739 263: ok 740 263: ok 741 263: ok 742 263: ok 743 263: ok 744 263: ok 745 263: ok 746 263: ok 747 263: ok 748 263: ok 749 263: ok 750 263: ok 751 263: ok 752 263: ok 753 263: ok 754 263: ok 755 263: ok 756 263: ok 757 263: ok 758 263: ok 759 263: ok 760 263: ok 761 263: ok 762 263: ok 763 263: ok 764 263: ok 765 263: ok 766 263: ok 767 263: ok 768 263: ok 769 263: ok 770 263: ok 771 263: ok 772 263: ok 773 263: ok 774 263: ok 775 263: ok 776 263: ok 777 263: ok 778 263: ok 779 263: ok 780 263: ok 781 263: ok 782 263: ok 783 263: ok 784 263: ok 785 263: ok 786 263: ok 787 263: ok 788 263: ok 789 263: ok 790 263: ok 791 263: ok 792 263: ok 793 263: ok 794 263: ok 795 263: ok 796 263: ok 797 263: ok 798 263: ok 799 263: ok 800 263: ok 801 263: ok 802 263: ok 803 263: ok 804 263: ok 805 263: ok 806 263: ok 807 263: ok 808 263: ok 809 263: ok 810 263: ok 811 263: ok 812 263: ok 813 263: ok 814 263: ok 815 263: ok 816 263: ok 817 263: ok 818 263: ok 819 263: ok 820 263: ok 821 263: ok 822 263: ok 823 263: ok 824 263: ok 825 263: ok 826 263: ok 827 263: ok 828 263: ok 829 263: ok 830 263: ok 831 263: ok 832 263: ok 833 263: ok 834 263: ok 835 263: ok 836 263: ok 837 263: ok 838 263: ok 839 263: ok 840 263: ok 841 263: ok 842 263: ok 843 263: ok 844 263: ok 845 263: ok 846 263: ok 847 263: ok 848 263: ok 849 263: ok 850 263: ok 851 263: ok 852 263: ok 853 263: ok 854 263: ok 855 263: ok 856 263: ok 857 263: ok 858 263: ok 859 263: ok 860 263: ok 861 263: ok 862 263: ok 863 263: ok 864 263: ok 865 263: ok 866 263: ok 867 263: ok 868 263: ok 869 263: ok 870 263: ok 871 263: ok 872 263: ok 873 263: ok 874 263: ok 875 263: ok 876 263: ok 877 263: ok 878 263: ok 879 263: ok 880 263: ok 881 263: ok 882 263: ok 883 263: ok 884 263: ok 885 263: ok 886 263: ok 887 263: ok 888 263: ok 889 263: ok 890 263: ok 891 263: ok 892 263: ok 893 263: ok 894 263: ok 895 263: ok 896 263: ok 897 263: ok 898 263: ok 899 263: ok 900 263: ok 901 263: ok 902 263: ok 903 263: ok 904 263: ok 905 263: ok 906 263: ok 907 263: ok 908 263: ok 909 263: ok 910 263: ok 911 263: ok 912 263: ok 913 263: ok 914 263: ok 915 263: ok 916 263: ok 917 263: ok 918 263: ok 919 263: ok 920 263: ok 921 263: ok 922 263: ok 923 263: ok 924 263: ok 925 263: ok 926 263: ok 927 263: ok 928 263: ok 929 263: ok 930 263: ok 931 263: ok 932 263: ok 933 263: ok 934 263: ok 935 263: ok 936 263: ok 937 263: ok 938 263: ok 939 263: ok 940 263: ok 941 263: ok 942 263: ok 943 263: ok 944 263: ok 945 263: ok 946 263: ok 947 263: ok 948 263: ok 949 263: ok 950 263: ok 951 263: ok 952 263: ok 953 263: ok 954 263: ok 955 263: ok 956 263: ok 957 263: ok 958 263: ok 959 263: ok 960 263: ok 961 263: ok 962 263: ok 963 263: ok 964 263: ok 965 263: ok 966 263: ok 967 263: ok 968 263: ok 969 263: ok 970 263: ok 971 263: ok 972 263: ok 973 263: ok 974 263: ok 975 263: ok 976 263: ok 977 263: ok 978 263: ok 979 263: ok 980 263: ok 981 263: ok 982 263: ok 983 263: ok 984 263: ok 985 263: ok 986 263: ok 987 263: ok 988 263: ok 989 263: ok 990 263: ok 991 263: ok 992 263: ok 993 263: ok 994 263: ok 995 263: ok 996 263: ok 997 263: ok 998 263: ok 999 263: ok 1000 263: ok 1001 263: ok 1002 263: ok 1003 263: ok 1004 263: ok 1005 263: ok 1006 263: ok 1007 263: ok 1008 263: ok 1009 263: ok 1010 263: ok 1011 263: ok 1012 263: ok 1013 263: ok 1014 263: ok 1015 263: ok 1016 263: ok 1017 263: ok 1018 263: ok 1019 263: ok 1020 263: ok 1021 263: ok 1022 263: ok 1023 263: ok 1024 263: ok 1025 263: ok 1026 263: ok 1027 263: ok 1028 263: ok 1029 263: ok 1030 263: ok 1031 263: ok 1032 263: ok 1033 263: ok 1034 263: ok 1035 263: ok 1036 263: ok 1037 263: ok 1038 263: ok 1039 263: ok 1040 263: ok 1041 263: ok 1042 263: ok 1043 263: ok 1044 263: ok 1045 263: ok 1046 263: ok 1047 263: ok 1048 263: ok 1049 263: ok 1050 263: ok 1051 263: ok 1052 263: ok 1053 263: ok 1054 263: ok 1055 263: ok 1056 263: ok 1057 263: ok 1058 263: ok 1059 263: ok 1060 263: ok 1061 263: ok 1062 263: ok 1063 263: ok 1064 263: ok 1065 263: ok 1066 263: ok 1067 263: ok 1068 263: ok 1069 263: ok 1070 263: ok 1071 263: ok 1072 263: ok 1073 263: ok 1074 263: ok 1075 263: ok 1076 263: ok 1077 263: ok 1078 263: ok 1079 263: ok 1080 263: ok 1081 263: ok 1082 263: ok 1083 263: ok 1084 263: ok 1085 263: ok 1086 263: ok 1087 263: ok 1088 263: ok 1089 263: ok 1090 263: ok 1091 263: ok 1092 263: ok 1093 263: ok 1094 263: ok 1095 263: ok 1096 263: ok 1097 263: ok 1098 263: ok 1099 263: ok 1100 263: ok 1101 263: ok 1102 263: ok 1103 263: ok 1104 263: ok 1105 263: ok 1106 263: ok 1107 263: ok 1108 263: ok 1109 263: ok 1110 263: ok 1111 263: ok 1112 263: ok 1113 263: ok 1114 263: ok 1115 263: ok 1116 263: ok 1117 263: ok 1118 263: ok 1119 263: ok 1120 263: ok 1121 263: ok 1122 263: ok 1123 263: ok 1124 263: ok 1125 263: ok 1126 263: ok 1127 263: ok 1128 263: ok 1129 263: ok 1130 263: ok 1131 263: ok 1132 263: ok 1133 263: ok 1134 263: ok 1135 263: ok 1136 263: ok 1137 263: ok 1138 263: ok 1139 263: ok 1140 263: ok 1141 263: ok 1142 263: ok 1143 263: ok 1144 263: ok 1145 263: ok 1146 263: ok 1147 263: ok 1148 263: ok 1149 263: ok 1150 263: ok 1151 263: ok 1152 263: ok 1153 263: ok 1154 263: ok 1155 263: ok 1156 263: ok 1157 263: ok 1158 263: ok 1159 263: ok 1160 263: ok 1161 263: ok 1162 263: ok 1163 263: ok 1164 263: ok 1165 263: ok 1166 263: ok 1167 263: ok 1168 263: ok 1169 263: ok 1170 263: ok 1171 263: ok 1172 263: ok 1173 263: ok 1174 263: ok 1175 263: ok 1176 263: ok 1177 263: ok 1178 263: ok 1179 263: ok 1180 263: ok 1181 263: ok 1182 263: ok 1183 263: ok 1184 263: ok 1185 263: ok 1186 263: ok 1187 263: ok 1188 263: ok 1189 263: ok 1190 263: ok 1191 263: ok 1192 263: ok 1193 263: ok 1194 263: ok 1195 263: ok 1196 263: ok 1197 263: ok 1198 263: ok 1199 263: ok 1200 263: ok 1201 263: ok 1202 263: ok 1203 263: ok 1204 263: ok 1205 263: ok 1206 263: ok 1207 263: ok 1208 263: ok 1209 263: ok 1210 263: ok 1211 263: ok 1212 263: ok 1213 263: ok 1214 263: ok 1215 263: ok 1216 263: ok 1217 263: ok 1218 263: ok 1219 263: ok 1220 263: ok 1221 263: ok 1222 263: ok 1223 263: ok 1224 263: ok 1225 263: ok 1226 263: ok 1227 263: ok 1228 263: ok 1229 263: ok 1230 263: ok 1231 263: ok 1232 263: ok 1233 263: ok 1234 263: ok 1235 263: ok 1236 263: ok 1237 263: ok 1238 263: ok 1239 263: ok 1240 263: ok 1241 263: ok 1242 263: ok 1243 263: ok 1244 263: ok 1245 263: ok 1246 263: ok 1247 263: ok 1248 263: ok 1249 263: ok 1250 263: ok 1251 263: ok 1252 263: ok 1253 263: ok 1254 263: ok 1255 263: ok 1256 263: ok 1257 263: ok 1258 263: ok 1259 263: ok 1260 263: ok 1261 263: ok 1262 263: ok 1263 263: ok 1264 263: ok 1265 263: ok 1266 263: ok 1267 263: ok 1268 263: ok 1269 263: ok 1270 263: ok 1271 263: ok 1272 263: ok 1273 263: ok 1274 263: ok 1275 263: ok 1276 263: ok 1277 263: ok 1278 263: ok 1279 263: ok 1280 263: ok 1281 263: ok 1282 263: ok 1283 263: ok 1284 263: ok 1285 263: ok 1286 263: ok 1287 263: ok 1288 263: ok 1289 263: ok 1290 263: ok 1291 263: ok 1292 263: ok 1293 263: ok 1294 263: ok 1295 263: ok 1296 263: ok 1297 263: ok 1298 263: ok 1299 263: ok 1300 263: ok 1301 263: ok 1302 263: ok 1303 263: ok 1304 263: ok 1305 263: ok 1306 263: ok 1307 263: ok 1308 263: ok 1309 263: ok 1310 263: ok 1311 263: ok 1312 263: ok 1313 263: ok 1314 263: ok 1315 263: ok 1316 263: ok 1317 263: ok 1318 263: ok 1319 263: ok 1320 263: ok 1321 263: ok 1322 263: ok 1323 263: ok 1324 263: ok 1325 263: ok 1326 263: ok 1327 263: ok 1328 263: ok 1329 263: ok 1330 263: ok 1331 263: ok 1332 263: ok 1333 263: ok 1334 263: ok 1335 263: ok 1336 263: ok 1337 263: ok 1338 263: ok 1339 263: ok 1340 263: ok 1341 263: ok 1342 263: ok 1343 263: ok 1344 263: ok 1345 263: ok 1346 263: ok 1347 263: ok 1348 263: ok 1349 263: ok 1350 263: ok 1351 263: ok 1352 263: ok 1353 263: ok 1354 263: ok 1355 263: ok 1356 263: ok 1357 263: ok 1358 263: ok 1359 263: ok 1360 263: ok 1361 263: ok 1362 263: ok 1363 263: ok 1364 263: ok 1365 263: ok 1366 263: ok 1367 263: ok 1368 263: ok 1369 263: ok 1370 263: ok 1371 263: ok 1372 263: ok 1373 263: ok 1374 263: ok 1375 263: ok 1376 263: ok 1377 263: ok 1378 263: ok 1379 263: ok 1380 263: ok 1381 263: ok 1382 263: ok 1383 263: ok 1384 263: ok 1385 263: ok 1386 263: ok 1387 263: ok 1388 263: ok 1389 263: ok 1390 263: ok 1391 263: ok 1392 263: ok 1393 263: ok 1394 263: ok 1395 263: ok 1396 263: ok 1397 263: ok 1398 263: ok 1399 263: ok 1400 263: ok 1401 263: ok 1402 263: ok 1403 263: ok 1404 263: ok 1405 263: ok 1406 263: ok 1407 263: ok 1408 263: ok 1409 263: ok 1410 263: ok 1411 263: ok 1412 263: ok 1413 263: ok 1414 263: ok 1415 263: ok 1416 263: ok 1417 263: ok 1418 263: ok 1419 263: ok 1420 263: ok 1421 263: ok 1422 263: ok 1423 263: ok 1424 263: ok 1425 263: ok 1426 263: ok 1427 263: ok 1428 263: ok 1429 263: ok 1430 263: ok 1431 263: ok 1432 263: ok 1433 263: ok 1434 263: ok 1435 263: ok 1436 263: ok 1437 263: ok 1438 263: ok 1439 263: ok 1440 263: ok 1441 263: ok 1442 263: ok 1443 263: ok 1444 263: ok 1445 263: ok 1446 263: ok 1447 263: ok 1448 263: ok 1449 263: ok 1450 263: ok 1451 263: ok 1452 263: ok 1453 263: ok 1454 263: ok 1455 263: ok 1456 263: ok 1457 263: ok 1458 263: ok 1459 263: ok 1460 263: ok 1461 263: ok 1462 263: ok 1463 263: ok 1464 263: ok 1465 263: ok 1466 263: ok 1467 263: ok 1468 263: ok 1469 263: ok 1470 263: ok 1471 263: ok 1472 263: ok 1473 263: ok 1474 263: ok 1475 263: ok 1476 263: ok 1477 263: ok 1478 263: ok 1479 263: ok 1480 263: ok 1481 263: ok 1482 263: ok 1483 263: ok 1484 263: ok 1485 263: ok 1486 263: ok 1487 263: ok 1488 263: ok 1489 263: ok 1490 263: ok 1491 263: ok 1492 263: ok 1493 263: ok 1494 263: ok 1495 263: ok 1496 263: ok 1497 263: ok 1498 263: ok 1499 263: ok 1500 263: ok 1501 263: ok 1502 263: ok 1503 263: ok 1504 263: ok 1505 263: ok 1506 263: ok 1507 263: ok 1508 263: ok 1509 263: ok 1510 263: ok 1511 263: ok 1512 263: ok 1513 263: ok 1514 263: ok 1515 263: ok 1516 263: ok 1517 263: ok 1518 263: ok 1519 263: ok 1520 263: ok 1521 263: ok 1522 263: ok 1523 263: ok 1524 263: ok 1525 263: ok 1526 263: ok 1527 263: ok 1528 263: ok 1529 263: ok 1530 263: ok 1531 263: ok 1532 263: ok 1533 263: ok 1534 263: ok 1535 263: ok 1536 263: ok 1537 263: ok 1538 263: ok 1539 263: ok 1540 263: ok 1541 263: ok 1542 263: ok 1543 263: ok 1544 263: ok 1545 263: ok 1546 263: ok 1547 263: ok 1548 263: ok 1549 263: ok 1550 263: ok 1551 263: ok 1552 263: ok 1553 263: ok 1554 263: ok 1555 263: ok 1556 263: ok 1557 263: ok 1558 263: ok 1559 263: ok 1560 263: ok 1561 263: ok 1562 263: ok 1563 263: ok 1564 263: ok 1565 263: ok 1566 263: ok 1567 263: ok 1568 263: ok 1569 263: ok 1570 263: ok 1571 263: ok 1572 263: ok 1573 263: ok 1574 263: ok 1575 263: ok 1576 263: ok 1577 263: ok 1578 263: ok 1579 263: ok 1580 263: ok 1581 263: ok 1582 263: ok 1583 263: ok 1584 263: ok 1585 263: ok 1586 263: ok 1587 263: ok 1588 263: ok 1589 263: ok 1590 263: ok 1591 263: ok 1592 263: ok 1593 263: ok 1594 263: ok 1595 263: ok 1596 263: ok 1597 263: ok 1598 263: ok 1599 263: ok 1600 263: ok 1601 263: ok 1602 263: ok 1603 263: ok 1604 263: ok 1605 263: ok 1606 263: ok 1607 263: ok 1608 263: ok 1609 263: ok 1610 263: ok 1611 263: ok 1612 263: ok 1613 263: ok 1614 263: ok 1615 263: ok 1616 263: ok 1617 263: ok 1618 263: ok 1619 263: ok 1620 263: ok 1621 263: ok 1622 263: ok 1623 263: ok 1624 263: ok 1625 263: ok 1626 263: ok 1627 263: ok 1628 263: ok 1629 263: ok 1630 263: ok 1631 263: ok 1632 263: ok 1633 263: ok 1634 263: ok 1635 263: ok 1636 263: ok 1637 263: ok 1638 263: ok 1639 263: ok 1640 263: ok 1641 263: ok 1642 263: ok 1643 263: ok 1644 263: ok 1645 263: ok 1646 263: ok 1647 263: ok 1648 263: ok 1649 263: ok 1650 263: ok 1651 263: ok 1652 263: ok 1653 263: ok 1654 263: ok 1655 263: ok 1656 263: ok 1657 263: ok 1658 263: ok 1659 263: ok 1660 263: ok 1661 263: ok 1662 263: ok 1663 263: ok 1664 263: ok 1665 263: ok 1666 263: ok 1667 263: ok 1668 263: ok 1669 263: ok 1670 263: ok 1671 263: ok 1672 263: ok 1673 263: ok 1674 263: ok 1675 263: ok 1676 263: ok 1677 263: ok 1678 263: ok 1679 263: ok 1680 263: ok 1681 263: ok 1682 263: ok 1683 263: ok 1684 263: ok 1685 263: ok 1686 263: ok 1687 263: ok 1688 263: ok 1689 263: ok 1690 263: ok 1691 263: ok 1692 263: ok 1693 263: ok 1694 263: ok 1695 263: ok 1696 263: ok 1697 263: ok 1698 263: ok 1699 263: ok 1700 263: ok 1701 263: ok 1702 263: ok 1703 263: ok 1704 263: ok 1705 263: ok 1706 263: ok 1707 263: ok 1708 263: ok 1709 263: ok 1710 263: ok 1711 263: ok 1712 263: ok 1713 263: ok 1714 263: ok 1715 263: ok 1716 263: ok 1717 263: ok 1718 263: ok 1719 263: ok 1720 263: ok 1721 263: ok 1722 263: ok 1723 263: ok 1724 263: ok 1725 263: ok 1726 263: ok 1727 263: ok 1728 263: ok 1729 263: ok 1730 263: ok 1731 263: ok 1732 263: ok 1733 263: ok 1734 263: ok 1735 263: ok 1736 263: ok 1737 263: ok 1738 263: ok 1739 263: ok 1740 263: ok 1741 263: ok 1742 263: ok 1743 263: ok 1744 263: ok 1745 263: ok 1746 263: ok 1747 263: ok 1748 263: ok 1749 263: ok 1750 263: ok 1751 263: ok 1752 263: ok 1753 263: ok 1754 263: ok 1755 263: ok 1756 263: ok 1757 263: ok 1758 263: ok 1759 263: ok 1760 263: ok 1761 263: ok 1762 263: ok 1763 263: ok 1764 263: ok 1765 263: ok 1766 263: ok 1767 263: ok 1768 263: ok 1769 263: ok 1770 263: ok 1771 263: ok 1772 263: ok 1773 263: ok 1774 263: ok 1775 263: ok 1776 263: ok 1777 263: ok 1778 263: ok 1779 263: ok 1780 263: ok 1781 263: ok 1782 263: ok 1783 263: ok 1784 263: ok 1785 263: ok 1786 263: ok 1787 263: ok 1788 263: ok 1789 263: ok 1790 263: ok 1791 263: ok 1792 263: ok 1793 263: ok 1794 263: ok 1795 263: ok 1796 263: ok 1797 263: ok 1798 263: ok 1799 263: ok 1800 263: ok 1801 263: ok 1802 263: ok 1803 263: ok 1804 263: ok 1805 263: ok 1806 263: ok 1807 263: ok 1808 263: ok 1809 263: ok 1810 263: ok 1811 263: ok 1812 263: ok 1813 263: ok 1814 263: ok 1815 263: ok 1816 263: ok 1817 263: ok 1818 263: ok 1819 263: ok 1820 263: ok 1821 263: ok 1822 263: ok 1823 263: ok 1824 263: ok 1825 263: ok 1826 263: ok 1827 263: ok 1828 263: ok 1829 263: ok 1830 263: ok 1831 263: ok 1832 263: ok 1833 263: ok 1834 263: ok 1835 263: ok 1836 263: ok 1837 263: ok 1838 263: ok 1839 263: ok 1840 263: ok 1841 263: ok 1842 263: ok 1843 263: ok 1844 263: ok 1845 263: ok 1846 263: ok 1847 263: ok 1848 263: ok 1849 263: ok 1850 263: ok 1851 263: ok 1852 263: ok 1853 263: ok 1854 263: ok 1855 263: ok 1856 263: ok 1857 263: ok 1858 263: ok 1859 263: ok 1860 263: ok 1861 263: ok 1862 263: ok 1863 263: ok 1864 263: ok 1865 263: ok 1866 263: ok 1867 263: ok 1868 263: ok 1869 263: ok 1870 263: ok 1871 263: ok 1872 263: ok 1873 263: ok 1874 263: ok 1875 263: ok 1876 263: ok 1877 263: ok 1878 263: ok 1879 263: ok 1880 263: ok 1881 263: ok 1882 263: ok 1883 263: ok 1884 263: ok 1885 263: ok 1886 263: ok 1887 263: ok 1888 263: ok 1889 263: ok 1890 263: ok 1891 263: ok 1892 263: ok 1893 263: ok 1894 263: ok 1895 263: ok 1896 263: ok 1897 263: ok 1898 263: ok 1899 263: ok 1900 263: ok 1901 263: ok 1902 263: ok 1903 263: ok 1904 263: ok 1905 263: ok 1906 263: ok 1907 263: ok 1908 263: ok 1909 263: ok 1910 263: ok 1911 263: ok 1912 263: ok 1913 263: ok 1914 263: ok 1915 263: ok 1916 263: ok 1917 263: ok 1918 263: ok 1919 263: ok 1920 263: ok 1921 263: ok 1922 263: ok 1923 263: ok 1924 263: ok 1925 263: ok 1926 263: ok 1927 263: ok 1928 263: ok 1929 263: ok 1930 263: ok 1931 263: ok 1932 263: ok 1933 263: ok 1934 263: ok 1935 263: ok 1936 263: ok 1937 263: ok 1938 263: ok 1939 263: ok 1940 263: ok 1941 263: ok 1942 263: ok 1943 263: ok 1944 263: ok 1945 263: ok 1946 263: ok 1947 263: ok 1948 263: ok 1949 263: ok 1950 263: ok 1951 263: ok 1952 263: ok 1953 263: ok 1954 263: ok 1955 263: ok 1956 263: ok 1957 263: ok 1958 263: ok 1959 263: ok 1960 263: ok 1961 263: ok 1962 263: ok 1963 263: ok 1964 263: ok 1965 263: ok 1966 263: ok 1967 263: ok 1968 263: ok 1969 263: ok 1970 263: ok 1971 263: ok 1972 263: ok 1973 263: ok 1974 263: ok 1975 263: ok 1976 263: ok 1977 263: ok 1978 263: ok 1979 263: ok 1980 263: ok 1981 263: ok 1982 263: ok 1983 263: ok 1984 263: ok 1985 263: ok 1986 263: ok 1987 263: ok 1988 263: ok 1989 263: ok 1990 263: ok 1991 263: ok 1992 263: ok 1993 263: ok 1994 263: ok 1995 263: ok 1996 263: ok 1997 263: ok 1998 263: ok 1999 263: ok 2000 263: ok 2001 263: ok 2002 263: ok 2003 263: ok 2004 263: ok 2005 263: ok 2006 263: ok 2007 263: ok 2008 263: ok 2009 263: ok 2010 263: ok 2011 263: ok 2012 263: ok 2013 263: ok 2014 263: ok 2015 263: ok 2016 263: ok 2017 263: ok 2018 263: ok 2019 263: ok 2020 263: ok 2021 263: ok 2022 263: ok 2023 263: ok 2024 263: ok 2025 263: ok 2026 263: ok 2027 263: ok 2028 263: ok 2029 263: ok 2030 263: ok 2031 263: ok 2032 263: ok 2033 263: ok 2034 263: ok 2035 263: ok 2036 263: ok 2037 263: ok 2038 263: ok 2039 263: ok 2040 263: ok 2041 263: ok 2042 263: ok 2043 263: ok 2044 263: ok 2045 263: ok 2046 263: ok 2047 263: ok 2048 263: ok 2049 263: ok 2050 263: ok 2051 263: ok 2052 263: ok 2053 263: ok 2054 263: ok 2055 263: ok 2056 263: ok 2057 263: ok 2058 263: ok 2059 263: ok 2060 263: ok 2061 263: ok 2062 263: ok 2063 263: ok 2064 263: ok 2065 263: ok 2066 263: ok 2067 263: ok 2068 263: ok 2069 263: ok 2070 263: ok 2071 263: ok 2072 263: ok 2073 263: ok 2074 263: ok 2075 263: ok 2076 263: ok 2077 263: ok 2078 263: ok 2079 263: ok 2080 263: ok 2081 263: ok 2082 263: ok 2083 263: ok 2084 263: ok 2085 263: ok 2086 263: ok 2087 263: ok 2088 263: ok 2089 263: ok 2090 263: ok 2091 263: ok 2092 263: ok 2093 263: ok 2094 263: ok 2095 263: ok 2096 263: ok 2097 263: ok 2098 263: ok 2099 263: ok 2100 263: ok 2101 263: ok 2102 263: ok 2103 263: ok 2104 263: ok 2105 263: ok 2106 263: ok 2107 263: ok 2108 263: ok 2109 263: ok 2110 263: ok 2111 263: ok 2112 263: ok 2113 263: ok 2114 263: ok 2115 263: ok 2116 263: ok 2117 263: ok 2118 263: ok 2119 263: ok 2120 263: ok 2121 263: ok 2122 263: ok 2123 263: ok 2124 263: ok 2125 263: ok 2126 263: ok 2127 263: ok 2128 263: ok 2129 263: ok 2130 263: ok 2131 263: ok 2132 263: ok 2133 263: ok 2134 263: ok 2135 263: ok 2136 263: ok 2137 263: ok 2138 263: ok 2139 263: ok 2140 263: ok 2141 263: ok 2142 263: ok 2143 263: ok 2144 263: ok 2145 263: ok 2146 263: ok 2147 263: ok 2148 263: ok 2149 263: ok 2150 263: ok 2151 263: ok 2152 263: ok 2153 263: ok 2154 263: ok 2155 263: ok 2156 263: ok 2157 263: ok 2158 263: ok 2159 263: ok 2160 263: ok 2161 263: ok 2162 263: ok 2163 263: ok 2164 263: ok 2165 263: ok 2166 263: ok 2167 263: ok 2168 263: ok 2169 263: ok 2170 263: ok 2171 263: ok 2172 263: ok 2173 263: ok 2174 263: ok 2175 263: ok 2176 263: ok 2177 263: ok 2178 263: ok 2179 263: ok 2180 263: ok 2181 263: ok 2182 263: ok 2183 263: ok 2184 263: ok 2185 263: ok 2186 263: ok 2187 263: ok 2188 263: ok 2189 263: ok 2190 263: ok 2191 263: ok 2192 263: ok 2193 263: ok 2194 263: ok 2195 263: ok 2196 263: ok 2197 263: ok 2198 263: ok 2199 263: ok 2200 263: ok 2201 263: ok 2202 263: ok 2203 263: ok 2204 263: ok 2205 263: ok 2206 263: ok 2207 263: ok 2208 263: ok 2209 263: ok 2210 263: ok 2211 263: ok 2212 263: ok 2213 263: ok 2214 263: ok 2215 263: ok 2216 263: ok 2217 263: ok 2218 263: ok 2219 263: ok 2220 263: ok 2221 263: ok 2222 263: ok 2223 263: ok 2224 263: ok 2225 263: ok 2226 263: ok 2227 263: ok 2228 263: ok 2229 263: ok 2230 263: ok 2231 263: ok 2232 263: ok 2233 263: ok 2234 263: ok 2235 263: ok 2236 263: ok 2237 263: ok 2238 263: ok 2239 263: ok 2240 263: ok 2241 263: ok 2242 263: ok 2243 263: ok 2244 263: ok 2245 263: ok 2246 263: ok 2247 263: ok 2248 263: ok 2249 263: ok 2250 263: ok 2251 263: ok 2252 263: ok 2253 263: ok 2254 263: ok 2255 263: ok 2256 263: ok 2257 263: ok 2258 263: ok 2259 263: ok 2260 263: ok 2261 263: ok 2262 263: ok 2263 263: ok 2264 263: ok 2265 263: ok 2266 263: ok 2267 263: ok 2268 263: ok 2269 263: ok 2270 263: ok 2271 263: ok 2272 263: ok 2273 263: ok 2274 263: ok 2275 263: ok 2276 263: ok 2277 263: ok 2278 263: ok 2279 263: ok 2280 263: ok 2281 263: ok 2282 263: ok 2283 263: ok 2284 263: ok 2285 263: ok 2286 263: ok 2287 263: ok 2288 263: ok 2289 263: ok 2290 263: ok 2291 263: ok 2292 263: ok 2293 263: ok 2294 263: ok 2295 263: ok 2296 263: ok 2297 263: ok 2298 263: ok 2299 263: ok 2300 263: ok 2301 263: ok 2302 263: ok 2303 263: ok 2304 263: ok 2305 263: ok 2306 263: ok 2307 263: ok 2308 263: ok 2309 263: ok 2310 263: ok 2311 263: ok 2312 263: ok 2313 263: ok 2314 263: ok 2315 263: ok 2316 263: ok 2317 263: ok 2318 263: ok 2319 263: ok 2320 263: ok 2321 263: ok 2322 263: ok 2323 263: ok 2324 263: ok 2325 263: ok 2326 263: ok 2327 263: ok 2328 263: ok 2329 263: ok 2330 263: ok 2331 263: ok 2332 263: ok 2333 263: ok 2334 263: ok 2335 263: ok 2336 263: ok 2337 263: ok 2338 263: ok 2339 263: ok 2340 263: ok 2341 263: ok 2342 263: ok 2343 263: ok 2344 263: ok 2345 263: ok 2346 263: ok 2347 263: ok 2348 263: ok 2349 263: ok 2350 263: ok 2351 263: ok 2352 263: ok 2353 263: ok 2354 263: ok 2355 263: ok 2356 263: ok 2357 263: ok 2358 263: ok 2359 263: ok 2360 263: ok 2361 263: ok 2362 263: ok 2363 263: ok 2364 263: ok 2365 263: ok 2366 263: ok 2367 263: ok 2368 263: ok 2369 263: ok 2370 263: ok 2371 263: ok 2372 263: ok 2373 263: ok 2374 263: ok 2375 263: ok 2376 263: ok 2377 263: ok 2378 263: ok 2379 263: ok 2380 263: ok 2381 263: ok 2382 263: ok 2383 263: ok 2384 263: ok 2385 263: ok 2386 263: ok 2387 263: ok 2388 263: ok 2389 263: ok 2390 263: ok 2391 263: ok 2392 263: ok 2393 263: ok 2394 263: ok 2395 263: ok 2396 263: ok 2397 263: ok 2398 263: ok 2399 263: ok 2400 263: ok 2401 263: ok 2402 263: ok 2403 263: ok 2404 263: ok 2405 263: ok 2406 263: ok 2407 263: ok 2408 263: ok 2409 263: ok 2410 263: ok 2411 263: ok 2412 263: ok 2413 263: ok 2414 263: ok 2415 263: ok 2416 263: ok 2417 263: ok 2418 263: ok 2419 263: ok 2420 263: ok 2421 263: ok 2422 263: ok 2423 263: ok 2424 263: ok 2425 263: ok 2426 263: ok 2427 263: ok 2428 263: ok 2429 263: ok 2430 263: ok 2431 263: ok 2432 263: ok 2433 263: ok 2434 263: ok 2435 263: ok 2436 263: ok 2437 263: ok 2438 263: ok 2439 263: ok 2440 263: ok 2441 263: ok 2442 263: ok 2443 263: ok 2444 263: ok 2445 263: ok 2446 263: ok 2447 263: ok 2448 263: ok 2449 263: ok 2450 263: ok 2451 263: ok 2452 263: ok 2453 263: ok 2454 263: ok 2455 263: ok 2456 263: ok 2457 263: ok 2458 263: ok 2459 263: ok 2460 263: ok 2461 263: ok 2462 263: ok 2463 263: ok 2464 263: ok 2465 263: ok 2466 263: ok 2467 263: ok 2468 263: ok 2469 263: ok 2470 263: ok 2471 263: ok 2472 263: ok 2473 263: ok 2474 263: ok 2475 263: ok 2476 263: ok 2477 263: ok 2478 263: ok 2479 263: ok 2480 263: ok 2481 263: ok 2482 263: ok 2483 263: ok 2484 263: ok 2485 263: ok 2486 263: ok 2487 263: ok 2488 263: ok 2489 263: ok 2490 263: ok 2491 263: ok 2492 263: ok 2493 263: ok 2494 263: ok 2495 263: ok 2496 263: ok 2497 263: ok 2498 263: ok 2499 263: ok 2500 263: ok 2501 263: ok 2502 263: ok 2503 263: ok 2504 263: ok 2505 263: ok 2506 263: ok 2507 263: ok 2508 263: ok 2509 263: ok 2510 263: ok 2511 263: ok 2512 263: ok 2513 263: ok 2514 263: ok 2515 263: ok 2516 263: ok 2517 263: ok 2518 263: ok 2519 263: ok 2520 263: ok 2521 263: ok 2522 263: ok 2523 263: ok 2524 263: ok 2525 263: ok 2526 263: ok 2527 263: ok 2528 263: ok 2529 263: ok 2530 263: ok 2531 263: ok 2532 263: ok 2533 263: ok 2534 263: ok 2535 263: ok 2536 263: ok 2537 263: ok 2538 263: ok 2539 263: ok 2540 263: ok 2541 263: ok 2542 263: ok 2543 263: ok 2544 263: ok 2545 263: ok 2546 263: ok 2547 263: ok 2548 263: ok 2549 263: ok 2550 263: ok 2551 263: ok 2552 263: ok 2553 263: ok 2554 263: ok 2555 263: ok 2556 263: ok 2557 263: ok 2558 263: ok 2559 263: ok 2560 263: ok 2561 263: ok 2562 263: ok 2563 263: ok 2564 263: ok 2565 263: ok 2566 263: ok 2567 263: ok 2568 263: ok 2569 263: ok 2570 263: ok 2571 263: ok 2572 263: ok 2573 263: ok 2574 263: ok 2575 263: ok 2576 263: ok 2577 263: ok 2578 263: ok 2579 263: ok 2580 263: ok 2581 263: ok 2582 263: ok 2583 263: ok 2584 263: ok 2585 263: ok 2586 263: ok 2587 263: ok 2588 263: ok 2589 263: ok 2590 263: ok 2591 263: ok 2592 263: ok 2593 263: ok 2594 263: ok 2595 263: ok 2596 263: ok 2597 263: ok 2598 263: ok 2599 263: ok 2600 263: ok 2601 263: ok 2602 263: ok 2603 263: ok 2604 263: ok 2605 263: ok 2606 263: ok 2607 263: ok 2608 263: ok 2609 263: ok 2610 263: ok 2611 263: ok 2612 263: ok 2613 263: ok 2614 263: ok 2615 263: ok 2616 263: ok 2617 263: ok 2618 263: ok 2619 263: ok 2620 263: ok 2621 263: ok 2622 263: ok 2623 263: ok 2624 263: ok 2625 263: ok 2626 263: ok 2627 263: ok 2628 263: ok 2629 263: ok 2630 263: ok 2631 263: ok 2632 263: ok 2633 263: ok 2634 263: ok 2635 263: ok 2636 263: ok 2637 263: ok 2638 263: ok 2639 263: ok 2640 263: ok 2641 263: ok 2642 263: ok 2643 263: ok 2644 263: ok 2645 263: ok 2646 263: ok 2647 263: ok 2648 263: ok 2649 263: ok 2650 263: ok 2651 263: ok 2652 263: ok 2653 263: ok 2654 263: ok 2655 263: ok 2656 263: ok 2657 263: ok 2658 263: ok 2659 263: ok 2660 263: ok 2661 263: ok 2662 263: ok 2663 263: ok 2664 263: ok 2665 263: ok 2666 263: ok 2667 263: ok 2668 263: ok 2669 263: ok 2670 263: ok 2671 263: ok 2672 263: ok 2673 263: ok 2674 263: ok 2675 263: ok 2676 263: ok 2677 263: ok 2678 263: ok 2679 263: ok 2680 263: ok 2681 263: ok 2682 263: ok 2683 263: ok 2684 263: ok 2685 263: ok 2686 263: ok 2687 263: ok 2688 263: ok 2689 263: ok 2690 263: ok 2691 263: ok 2692 263: ok 2693 263: ok 2694 263: ok 2695 263: ok 2696 263: ok 2697 263: ok 2698 263: ok 2699 263: ok 2700 263: ok 2701 263: ok 2702 263: ok 2703 263: ok 2704 263: ok 2705 263: ok 2706 263: ok 2707 263: ok 2708 263: ok 2709 263: ok 2710 263: ok 2711 263: ok 2712 263: ok 2713 263: ok 2714 263: ok 2715 263: ok 2716 263: ok 2717 263: ok 2718 263: ok 2719 263: ok 2720 263: ok 2721 263: ok 2722 263: ok 2723 263: ok 2724 263: ok 2725 263: ok 2726 263: ok 2727 263: ok 2728 263: ok 2729 263: ok 2730 263: ok 2731 263: ok 2732 263: ok 2733 263: ok 2734 263: ok 2735 263: ok 2736 263: ok 2737 263: ok 2738 263: ok 2739 263: ok 2740 263: ok 2741 263: ok 2742 263: ok 2743 263: ok 2744 263: ok 2745 263: ok 2746 263: ok 2747 263: ok 2748 263: ok 2749 263: ok 2750 263: ok 2751 263: ok 2752 263: ok 2753 263: ok 2754 263: ok 2755 263: ok 2756 263: ok 2757 263: ok 2758 263: ok 2759 263: ok 2760 263: ok 2761 263: ok 2762 263: ok 2763 263: ok 2764 263: ok 2765 263: ok 2766 263: ok 2767 263: ok 2768 263: ok 2769 263: ok 2770 263: ok 2771 263: ok 2772 263: ok 2773 263: ok 2774 263: ok 2775 263: ok 2776 263: ok 2777 263: ok 2778 263: ok 2779 263: ok 2780 263: ok 2781 263: ok 2782 263: ok 2783 263: ok 2784 263: ok 2785 263: ok 2786 263: ok 2787 263: ok 2788 263: ok 2789 263: ok 2790 263: ok 2791 263: ok 2792 263: ok 2793 263: ok 2794 263: ok 2795 263: ok 2796 263: ok 2797 263: ok 2798 263: ok 2799 263: ok 2800 263: ok 2801 263: ok 2802 263: ok 2803 263: ok 2804 263: ok 2805 263: ok 2806 263: ok 2807 263: ok 2808 263: ok 2809 263: ok 2810 263: ok 2811 263: ok 2812 263: ok 2813 263: ok 2814 263: ok 2815 263: ok 2816 263: ok 2817 263: ok 2818 263: ok 2819 263: ok 2820 263: ok 2821 263: ok 2822 263: ok 2823 263: ok 2824 263: ok 2825 263: ok 2826 263: ok 2827 263: ok 2828 263: ok 2829 263: ok 2830 263: ok 2831 263: ok 2832 263: ok 2833 263: ok 2834 263: ok 2835 263: ok 2836 263: ok 2837 263: ok 2838 263: ok 2839 263: ok 2840 263: ok 2841 263: ok 2842 263: ok 2843 263: ok 2844 263: ok 2845 263: ok 2846 263: ok 2847 263: ok 2848 263: ok 2849 263: ok 2850 263: ok 2851 263: ok 2852 263: ok 2853 263: ok 2854 263: ok 2855 263: ok 2856 263: ok 2857 263: ok 2858 263: ok 2859 263: ok 2860 263: ok 2861 263: ok 2862 263: ok 2863 263: ok 2864 263: ok 2865 263: ok 2866 263: ok 2867 263: ok 2868 263: ok 2869 263: ok 2870 263: ok 2871 263: ok 2872 263: ok 2873 263: ok 2874 263: ok 2875 263: ok 2876 263: ok 2877 263: ok 2878 263: ok 2879 263: ok 2880 263: ok 2881 263: ok 2882 263: ok 2883 263: ok 2884 263: ok 2885 263: ok 2886 263: ok 2887 263: ok 2888 263: ok 2889 263: ok 2890 263: ok 2891 263: ok 2892 263: ok 2893 263: ok 2894 263: ok 2895 263: ok 2896 263: ok 2897 263: ok 2898 263: ok 2899 263: ok 2900 263: ok 2901 263: ok 2902 263: ok 2903 263: ok 2904 263: ok 2905 263: ok 2906 263: ok 2907 263: ok 2908 263: ok 2909 263: ok 2910 263: ok 2911 263: ok 2912 263: ok 2913 263: ok 2914 263: ok 2915 263: ok 2916 263: ok 2917 263: ok 2918 263: ok 2919 263: ok 2920 263: ok 2921 263: ok 2922 263: ok 2923 263: ok 2924 263: ok 2925 263: ok 2926 263: ok 2927 263: ok 2928 263: ok 2929 263: ok 2930 263: ok 2931 263: ok 2932 263: ok 2933 263: ok 2934 263: ok 2935 263: ok 2936 263: ok 2937 263: ok 2938 263: ok 2939 263: ok 2940 263: ok 2941 263: ok 2942 263: ok 2943 263: ok 2944 263: ok 2945 263: ok 2946 263: ok 2947 263: ok 2948 263: ok 2949 263: ok 2950 263: ok 2951 263: ok 2952 263: ok 2953 263: ok 2954 263: ok 2955 263: ok 2956 263: ok 2957 263: ok 2958 263: ok 2959 263: ok 2960 263: ok 2961 263: ok 2962 263: ok 2963 263: ok 2964 263: ok 2965 263: ok 2966 263: ok 2967 263: ok 2968 263: ok 2969 263: ok 2970 263: ok 2971 263: ok 2972 263: ok 2973 263: ok 2974 263: ok 2975 263: ok 2976 263: ok 2977 263: ok 2978 263: ok 2979 263: ok 2980 263: ok 2981 263: ok 2982 263: ok 2983 263: ok 2984 263: ok 2985 263: ok 2986 263: ok 2987 263: ok 2988 263: ok 2989 263: ok 2990 263: ok 2991 263: ok 2992 263: ok 2993 263: ok 2994 263: ok 2995 263: ok 2996 263: ok 2997 263: ok 2998 263: ok 2999 263: ok 3000 263: ok 3001 263: ok 3002 263: ok 3003 263: ok 3004 263: ok 3005 263: ok 3006 263: ok 3007 263: ok 3008 263: ok 3009 263: ok 3010 263: ok 3011 263: ok 3012 263: ok 3013 263: ok 3014 263: ok 3015 263: ok 3016 263: ok 3017 263: ok 3018 263: ok 3019 263: ok 3020 263: ok 3021 263: ok 3022 263: ok 3023 263: ok 3024 263: ok 3025 263: ok 3026 263: ok 3027 263: ok 3028 263: ok 3029 263: ok 3030 263: ok 3031 263: ok 3032 263: ok 3033 263: ok 3034 263: ok 3035 263: ok 3036 263: ok 3037 263: ok 3038 263: ok 3039 263: ok 3040 263: ok 3041 263: ok 3042 263: ok 3043 263: ok 3044 263: ok 3045 263: ok 3046 263: ok 3047 263: ok 3048 263: ok 3049 263: ok 3050 263: ok 3051 263: ok 3052 263: ok 3053 263: ok 3054 263: ok 3055 263: ok 3056 263: ok 3057 263: ok 3058 263: ok 3059 263: ok 3060 263: ok 3061 263: ok 3062 263: ok 3063 263: ok 3064 263: ok 3065 263: ok 3066 263: ok 3067 263: ok 3068 263: ok 3069 263: ok 3070 263: ok 3071 263: ok 3072 263: ok 3073 263: ok 3074 263: ok 3075 263: ok 3076 263: ok 3077 263: ok 3078 263: ok 3079 263: ok 3080 263: ok 3081 263: ok 3082 263: ok 3083 263: ok 3084 263: ok 3085 263: ok 3086 263: ok 3087 263: ok 3088 263: ok 3089 263: ok 3090 263: ok 3091 263: ok 3092 263: ok 3093 263: ok 3094 263: ok 3095 263: ok 3096 263: ok 3097 263: ok 3098 263: ok 3099 263: ok 3100 263: ok 3101 263: ok 3102 263: ok 3103 263: ok 3104 263: ok 3105 263: ok 3106 263: ok 3107 263: ok 3108 263: ok 3109 263: ok 3110 263: ok 3111 263: ok 3112 263: ok 3113 263: ok 3114 263: ok 3115 263: ok 3116 263: ok 3117 263: ok 3118 263: ok 3119 263: ok 3120 263: ok 3121 263: ok 3122 263: ok 3123 263: ok 3124 263: ok 3125 263: ok 3126 263: ok 3127 263: ok 3128 263: ok 3129 263: ok 3130 263: ok 3131 263: ok 3132 263: ok 3133 263: ok 3134 263: ok 3135 263: ok 3136 263: ok 3137 263: ok 3138 263: ok 3139 263: ok 3140 263: ok 3141 263: ok 3142 263: ok 3143 263: ok 3144 263: ok 3145 263: ok 3146 263: ok 3147 263: ok 3148 263: ok 3149 263: ok 3150 263: ok 3151 263: ok 3152 263: ok 3153 263: ok 3154 263: ok 3155 263: ok 3156 263: ok 3157 263: ok 3158 263: ok 3159 263: ok 3160 263: ok 3161 263: ok 3162 263: ok 3163 263: ok 3164 263: ok 3165 263: ok 3166 263: ok 3167 263: ok 3168 263: ok 3169 263: ok 3170 263: ok 3171 263: ok 3172 263: ok 3173 263: ok 3174 263: ok 3175 263: ok 3176 263: ok 3177 263: ok 3178 263: ok 3179 263: ok 3180 263: ok 3181 263: ok 3182 263: ok 3183 263: ok 3184 263: ok 3185 263: ok 3186 263: ok 3187 263: ok 3188 263: ok 3189 263: ok 3190 263: ok 3191 263: ok 3192 263: ok 3193 263: ok 3194 263: ok 3195 263: ok 3196 263: ok 3197 263: ok 3198 263: ok 3199 263: ok 3200 263: ok 3201 263: ok 3202 263: ok 3203 263: ok 3204 263: ok 3205 263: ok 3206 263: ok 3207 263: ok 3208 263: ok 3209 263: ok 3210 263: ok 3211 263: ok 3212 263: ok 3213 263: ok 3214 263: ok 3215 263: ok 3216 263: ok 3217 263: ok 3218 263: ok 3219 263: ok 3220 263: ok 3221 263: ok 3222 263: ok 3223 263: ok 3224 263: ok 3225 263: ok 3226 263: ok 3227 263: ok 3228 263: ok 3229 263: ok 3230 263: ok 3231 263: ok 3232 263: ok 3233 263: ok 3234 263: ok 3235 263: ok 3236 263: ok 3237 263: ok 3238 263: ok 3239 263: ok 3240 263: ok 3241 263: ok 3242 263: ok 3243 263: ok 3244 263: ok 3245 263: ok 3246 263: ok 3247 263: ok 3248 263: ok 3249 263: ok 3250 263: ok 3251 263: ok 3252 263: ok 3253 263: ok 3254 263: ok 3255 263: ok 3256 263: ok 3257 263: ok 3258 263: ok 3259 263: ok 3260 263: ok 3261 263: ok 3262 263: ok 3263 263: ok 3264 263: ok 3265 263: ok 3266 263: ok 3267 263: ok 3268 263: ok 3269 263: ok 3270 263: ok 3271 263: ok 3272 263: ok 3273 263: ok 3274 263: ok 3275 263: ok 3276 263: ok 3277 263: ok 3278 263: ok 3279 263: ok 3280 263: ok 3281 263: ok 3282 263: ok 3283 263: ok 3284 263: ok 3285 263: ok 3286 263: ok 3287 263: ok 3288 263: ok 3289 263: ok 3290 263: ok 3291 263: ok 3292 263: ok 3293 263: ok 3294 263: ok 3295 263: ok 3296 263: ok 3297 263: ok 3298 263: ok 3299 263: ok 3300 263: ok 3301 263: ok 3302 263: ok 3303 263: ok 3304 263: ok 3305 263: ok 3306 263: ok 3307 263: ok 3308 263: ok 3309 263: ok 3310 263: ok 3311 263: ok 3312 263: ok 3313 263: ok 3314 263: ok 3315 263: ok 3316 263: ok 3317 263: ok 3318 263: ok 3319 263: ok 3320 263: ok 3321 263: ok 3322 263: ok 3323 263: ok 3324 263: ok 3325 263: ok 3326 263: ok 3327 263: ok 3328 263: ok 3329 263: ok 3330 263: ok 3331 263: ok 3332 263: ok 3333 263: ok 3334 263: ok 3335 263: ok 3336 263: ok 3337 263: ok 3338 263: ok 3339 263: ok 3340 263: ok 3341 263: ok 3342 263: ok 3343 263: ok 3344 263: ok 3345 263: ok 3346 263: ok 3347 263: ok 3348 263: ok 3349 263: ok 3350 263: ok 3351 263: ok 3352 263: ok 3353 263: ok 3354 263: ok 3355 263: ok 3356 263: ok 3357 263: ok 3358 263: ok 3359 263: ok 3360 263: ok 3361 263: ok 3362 263: ok 3363 263: ok 3364 263: ok 3365 263: ok 3366 263: ok 3367 263: ok 3368 263: ok 3369 263: ok 3370 263: ok 3371 263: ok 3372 263: ok 3373 263: ok 3374 263: ok 3375 263: ok 3376 263: ok 3377 263: ok 3378 263: ok 3379 263: ok 3380 263: ok 3381 263: ok 3382 263: ok 3383 263: ok 3384 263: ok 3385 263: ok 3386 263: ok 3387 263: ok 3388 263: ok 3389 263: ok 3390 263: ok 3391 263: ok 3392 263: ok 3393 263: ok 3394 263: ok 3395 263: ok 3396 263: ok 3397 263: ok 3398 263: ok 3399 263: ok 3400 263: ok 3401 263: ok 3402 263: ok 3403 263: ok 3404 263: ok 3405 263: ok 3406 263: ok 3407 263: ok 3408 263: ok 3409 263: ok 3410 263: ok 3411 263: ok 3412 263: ok 3413 263: ok 3414 263: ok 3415 263: ok 3416 263: ok 3417 263: ok 3418 263: ok 3419 263: ok 3420 263: ok 3421 263: ok 3422 263: ok 3423 263: ok 3424 263: ok 3425 263: ok 3426 263: ok 3427 263: ok 3428 263: ok 3429 263: ok 3430 263: ok 3431 263: ok 3432 263: ok 3433 263: ok 3434 263: ok 3435 263: ok 3436 263: ok 3437 263: ok 3438 263: ok 3439 263: ok 3440 263: ok 3441 263: ok 3442 263: ok 3443 263: ok 3444 263: ok 3445 263: ok 3446 263: ok 3447 263: ok 3448 263: ok 3449 263: ok 3450 263: ok 3451 263: ok 3452 263: ok 3453 263: ok 3454 263: ok 3455 263: ok 3456 263: ok 3457 263: ok 3458 263: ok 3459 263: ok 3460 263: ok 3461 263: ok 3462 263: ok 3463 263: ok 3464 263: ok 3465 263: ok 3466 263: ok 3467 263: ok 3468 263: ok 3469 263: ok 3470 263: ok 3471 263: ok 3472 263: ok 3473 263: ok 3474 263: ok 3475 263: ok 3476 263: ok 3477 263: ok 3478 263: ok 3479 263: ok 3480 263: ok 3481 263: ok 3482 263: ok 3483 263: ok 3484 263: ok 3485 263: ok 3486 263: ok 3487 263: ok 3488 263: ok 3489 263: ok 3490 263: ok 3491 263: ok 3492 263: ok 3493 263: ok 3494 263: ok 3495 263: ok 3496 263: ok 3497 263: ok 3498 263: ok 3499 263: ok 3500 263: ok 3501 263: ok 3502 263: ok 3503 263: ok 3504 263: ok 3505 263: ok 3506 263: ok 3507 263: ok 3508 263: ok 3509 263: ok 3510 263: ok 3511 263: ok 3512 263: ok 3513 263: ok 3514 263: ok 3515 263: ok 3516 263: ok 3517 263: ok 3518 263: ok 3519 263: ok 3520 263: ok 3521 263: ok 3522 263: ok 3523 263: ok 3524 263: ok 3525 263: ok 3526 263: ok 3527 263: ok 3528 263: ok 3529 263: ok 3530 263: ok 3531 263: ok 3532 263: ok 3533 263: ok 3534 263: ok 3535 263: ok 3536 263: ok 3537 263: ok 3538 263: ok 3539 263: ok 3540 263: ok 3541 263: ok 3542 263: ok 3543 263: ok 3544 263: ok 3545 263: ok 3546 263: ok 3547 263: ok 3548 263: ok 3549 263: ok 3550 263: ok 3551 263: ok 3552 263: ok 3553 263: ok 3554 263: ok 3555 263: ok 3556 263: ok 3557 263: ok 3558 263: ok 3559 263: ok 3560 263: ok 3561 263: ok 3562 263: ok 3563 263: ok 3564 263: ok 3565 263: ok 3566 263: ok 3567 263: ok 3568 263: ok 3569 263: ok 3570 263: ok 3571 263: ok 3572 263: ok 3573 263: ok 3574 263: ok 3575 263: ok 3576 263: ok 3577 263: ok 3578 263: ok 3579 263: ok 3580 263: ok 3581 263: ok 3582 263: ok 3583 263: ok 3584 263: ok 3585 263: ok 3586 263: ok 3587 263: ok 3588 263: ok 3589 263: ok 3590 263: ok 3591 263: ok 3592 263: ok 3593 263: ok 3594 263: ok 3595 263: ok 3596 263: ok 3597 263: ok 3598 263: ok 3599 263: ok 3600 263: ok 3601 263: ok 3602 263: ok 3603 263: ok 3604 263: ok 3605 263: ok 3606 263: ok 3607 263: ok 3608 263: ok 3609 263: ok 3610 263: ok 3611 263: ok 3612 263: ok 3613 263: ok 3614 263: ok 3615 263: ok 3616 263: ok 3617 263: ok 3618 263: ok 3619 263: ok 3620 263: ok 3621 263: ok 3622 263: ok 3623 263: ok 3624 263: ok 3625 263: ok 3626 263: ok 3627 263: ok 3628 263: ok 3629 263: ok 3630 263: ok 3631 263: ok 3632 263: ok 3633 263: ok 3634 263: ok 3635 263: ok 3636 263: ok 3637 263: ok 3638 263: ok 3639 263: ok 3640 263: ok 3641 263: ok 3642 263: ok 3643 263: ok 3644 263: ok 3645 263: ok 3646 263: ok 3647 263: ok 3648 263: ok 3649 263: ok 3650 263: ok 3651 263: ok 3652 263: ok 3653 263: ok 3654 263: ok 3655 263: ok 3656 263: ok 3657 263: ok 3658 263: ok 3659 263: ok 3660 263: ok 3661 263: ok 3662 263: ok 3663 263: ok 3664 263: ok 3665 263: ok 3666 263: ok 3667 263: ok 3668 263: ok 3669 263: ok 3670 263: ok 3671 263: ok 3672 263: ok 3673 263: ok 3674 263: ok 3675 263: ok 3676 263: ok 3677 263: ok 3678 263: ok 3679 263: ok 3680 263: ok 3681 263: ok 3682 263: ok 3683 263: ok 3684 263: ok 3685 263: ok 3686 263: ok 3687 263: ok 3688 263: ok 3689 263: ok 3690 263: ok 3691 263: ok 3692 263: ok 3693 263: ok 3694 263: ok 3695 263: ok 3696 263: ok 3697 263: ok 3698 263: ok 3699 263: ok 3700 263: ok 3701 263: ok 3702 263: ok 3703 263: ok 3704 263: ok 3705 263: ok 3706 263: ok 3707 263: ok 3708 263: ok 3709 263: ok 3710 263: ok 3711 263: ok 3712 263: ok 3713 263: ok 3714 263: ok 3715 263: ok 3716 263: ok 3717 263: ok 3718 263: ok 3719 263: ok 3720 263: ok 3721 263: ok 3722 263: ok 3723 263: ok 3724 263: ok 3725 263: ok 3726 263: ok 3727 263: ok 3728 263: ok 3729 263: ok 3730 263: ok 3731 263: ok 3732 263: ok 3733 263: ok 3734 263: ok 3735 263: ok 3736 263: ok 3737 263: ok 3738 263: ok 3739 263: ok 3740 263: ok 3741 263: ok 3742 263: ok 3743 263: ok 3744 263: ok 3745 263: ok 3746 263: ok 3747 263: ok 3748 263: ok 3749 263: ok 3750 263: ok 3751 263: ok 3752 263: ok 3753 263: ok 3754 263: ok 3755 263: ok 3756 263: ok 3757 263: ok 3758 263: ok 3759 263: ok 3760 263: ok 3761 263: ok 3762 263: ok 3763 263: ok 3764 263: ok 3765 263: ok 3766 263: ok 3767 263: ok 3768 263: ok 3769 263: ok 3770 263: ok 3771 263: ok 3772 263: ok 3773 263: ok 3774 263: ok 3775 263: ok 3776 263: ok 3777 263: ok 3778 263: ok 3779 263: ok 3780 263: ok 3781 263: ok 3782 263: ok 3783 263: ok 3784 263: ok 3785 263: ok 3786 263: ok 3787 263: ok 3788 263: ok 3789 263: ok 3790 263: ok 3791 263: ok 3792 263: ok 3793 263: ok 3794 263: ok 3795 263: ok 3796 263: ok 3797 263: ok 3798 263: ok 3799 263: ok 3800 263: ok 3801 263: ok 3802 263: ok 3803 263: ok 3804 263: ok 3805 263: ok 3806 263: ok 3807 263: ok 3808 263: ok 3809 263: ok 3810 263: ok 3811 263: ok 3812 263: ok 3813 263: ok 3814 263: ok 3815 263: ok 3816 263: ok 3817 263: ok 3818 263: ok 3819 263: ok 3820 263: ok 3821 263: ok 3822 263: ok 3823 263: ok 3824 263: ok 3825 263: ok 3826 263: ok 3827 263: ok 3828 263: ok 3829 263: ok 3830 263: ok 3831 263: ok 3832 263: ok 3833 263: ok 3834 263: ok 3835 263: ok 3836 263: ok 3837 263: ok 3838 263: ok 3839 263: ok 3840 263: ok 3841 263: ok 3842 263: ok 3843 263: ok 3844 263: ok 3845 263: ok 3846 263: ok 3847 263: ok 3848 263: ok 3849 263: ok 3850 263: ok 3851 263: ok 3852 263: ok 3853 263: ok 3854 263: ok 3855 263: ok 3856 263: ok 3857 263: ok 3858 263: ok 3859 263: ok 3860 263: ok 3861 263: ok 3862 263: ok 3863 263: ok 3864 263: ok 3865 263: ok 3866 263: ok 3867 263: ok 3868 263: ok 3869 263: ok 3870 263: ok 3871 263: ok 3872 263: ok 3873 263: ok 3874 263: ok 3875 263: ok 3876 263: ok 3877 263: ok 3878 263: ok 3879 263: ok 3880 263: ok 3881 263: ok 3882 263: ok 3883 263: ok 3884 263: ok 3885 263: ok 3886 263: ok 3887 263: ok 3888 263: ok 3889 263: ok 3890 263: ok 3891 263: ok 3892 263: ok 3893 263: ok 3894 263: ok 3895 263: ok 3896 263: ok 3897 263: ok 3898 263: ok 3899 263: ok 3900 263: ok 3901 263: ok 3902 263: ok 3903 263: ok 3904 263: ok 3905 263: ok 3906 263: ok 3907 263: ok 3908 263: ok 3909 263: ok 3910 263: ok 3911 263: ok 3912 263: ok 3913 263: ok 3914 263: ok 3915 263: ok 3916 263: ok 3917 263: ok 3918 263: ok 3919 263: ok 3920 263: ok 3921 263: ok 3922 263: ok 3923 263: ok 3924 263: ok 3925 263: ok 3926 263: ok 3927 263: ok 3928 263: ok 3929 263: ok 3930 263: ok 3931 263: ok 3932 263: ok 3933 263: ok 3934 263: ok 3935 263: ok 3936 263: ok 3937 263: ok 3938 263: ok 3939 263: ok 3940 263: ok 3941 263: ok 3942 263: ok 3943 263: ok 3944 263: ok 3945 263: ok 3946 263: ok 3947 263: ok 3948 263: ok 3949 263: ok 3950 263: ok 3951 263: ok 3952 263: ok 3953 263: ok 3954 263: ok 3955 263: ok 3956 263: ok 3957 263: ok 3958 263: ok 3959 263: ok 3960 263: ok 3961 263: ok 3962 263: ok 3963 263: ok 3964 263: ok 3965 263: ok 3966 263: ok 3967 263: ok 3968 263: ok 3969 263: ok 3970 263: ok 3971 263: ok 3972 263: ok 3973 263: ok 3974 263: ok 3975 263: ok 3976 263: ok 3977 263: ok 3978 263: ok 3979 263: ok 3980 263: ok 3981 263: ok 3982 263: ok 3983 263: ok 3984 263: ok 3985 263: ok 3986 263: ok 3987 263: ok 3988 263: ok 3989 263: ok 3990 263: ok 3991 263: ok 3992 263: ok 3993 263: ok 3994 263: ok 3995 263: ok 3996 263: ok 3997 263: ok 3998 263: ok 3999 263: ok 4000 263: ok 4001 263: ok 4002 263: ok 4003 263: ok 4004 263: ok 4005 263: ok 4006 263: ok 4007 263: ok 4008 263: ok 4009 263: ok 4010 263: ok 4011 263: ok 4012 263: ok 4013 263: ok 4014 263: ok 4015 263: ok 4016 263: ok 4017 263: ok 4018 263: ok 4019 263: ok 4020 263: ok 4021 263: ok 4022 263: ok 4023 263: ok 4024 263: ok 4025 263: ok 4026 263: ok 4027 263: ok 4028 263: ok 4029 263: ok 4030 263: ok 4031 263: ok 4032 263: ok 4033 263: ok 4034 263: ok 4035 263: ok 4036 263: ok 4037 263: ok 4038 263: ok 4039 263: ok 4040 263: ok 4041 263: ok 4042 263: ok 4043 263: ok 4044 263: ok 4045 263: ok 4046 263: ok 4047 263: ok 4048 263: ok 4049 263: ok 4050 263: ok 4051 263: ok 4052 263: ok 4053 263: ok 4054 263: ok 4055 263: ok 4056 263: ok 4057 263: ok 4058 263: ok 4059 263: ok 4060 263: ok 4061 263: ok 4062 263: ok 4063 263: ok 4064 263: ok 4065 263: ok 4066 263: ok 4067 263: ok 4068 263: ok 4069 263: ok 4070 263: ok 4071 263: ok 4072 263: ok 4073 263: ok 4074 263: ok 4075 263: ok 4076 263: ok 4077 263: ok 4078 263: ok 4079 263: ok 4080 263: ok 4081 263: ok 4082 263: ok 4083 263: ok 4084 263: ok 4085 263: ok 4086 263: ok 4087 263: ok 4088 263: ok 4089 263: ok 4090 263: ok 4091 263: ok 4092 263: ok 4093 263: ok 4094 263: ok 4095 263: ok 4096 263: ok 4097 263: ok 4098 263: ok 4099 263: ok 4100 263: ok 4101 263: ok 4102 263: ok 4103 263: ok 4104 263: ok 4105 263: ok 4106 263: ok 4107 263: ok 4108 263: ok 4109 263: ok 4110 263: ok 4111 263: ok 4112 263: ok 4113 263: ok 4114 263: ok 4115 263: ok 4116 263: ok 4117 263: ok 4118 263: ok 4119 263: ok 4120 263: ok 4121 263: ok 4122 263: ok 4123 263: ok 4124 263: ok 4125 263: ok 4126 263: ok 4127 263: ok 4128 263: ok 4129 263: ok 4130 263: ok 4131 263: ok 4132 263: ok 4133 263: ok 4134 263: ok 4135 263: ok 4136 263: ok 4137 263: ok 4138 263: ok 4139 263: ok 4140 263: ok 4141 263: ok 4142 263: ok 4143 263: ok 4144 263: ok 4145 263: ok 4146 263: ok 4147 263: ok 4148 263: ok 4149 263: ok 4150 263: ok 4151 263: ok 4152 263: ok 4153 263: ok 4154 263: ok 4155 263: ok 4156 263: ok 4157 263: ok 4158 263: ok 4159 263: ok 4160 263: ok 4161 263: ok 4162 263: ok 4163 263: ok 4164 263: ok 4165 263: ok 4166 263: ok 4167 263: ok 4168 263: ok 4169 263: ok 4170 263: ok 4171 263: ok 4172 263: ok 4173 263: ok 4174 263: ok 4175 263: ok 4176 263: ok 4177 263: ok 4178 263: ok 4179 263: ok 4180 263: ok 4181 263: ok 4182 263: ok 4183 263: ok 4184 263: ok 4185 263: ok 4186 263: ok 4187 263: ok 4188 263: ok 4189 263: ok 4190 263: ok 4191 263: ok 4192 263: ok 4193 263: ok 4194 263: ok 4195 263: ok 4196 263: ok 4197 263: ok 4198 263: ok 4199 263: ok 4200 263: ok 4201 263: ok 4202 263: ok 4203 263: ok 4204 263: ok 4205 263: ok 4206 263: ok 4207 263: ok 4208 263: ok 4209 263: ok 4210 263: ok 4211 263: ok 4212 263: ok 4213 263: ok 4214 263: ok 4215 263: ok 4216 263: ok 4217 263: ok 4218 263: ok 4219 263: ok 4220 263: ok 4221 263: ok 4222 263: ok 4223 263: ok 4224 263: ok 4225 263: ok 4226 263: ok 4227 263: ok 4228 263: ok 4229 263: ok 4230 263: ok 4231 263: ok 4232 263: ok 4233 263: ok 4234 263: ok 4235 263: ok 4236 263: ok 4237 263: ok 4238 263: ok 4239 263: ok 4240 263: ok 4241 263: ok 4242 263: ok 4243 263: ok 4244 263: ok 4245 263: ok 4246 263: ok 4247 263: ok 4248 263: ok 4249 263: ok 4250 263: ok 4251 263: ok 4252 263: ok 4253 263: ok 4254 263: ok 4255 263: ok 4256 263: ok 4257 263: ok 4258 263: ok 4259 263: ok 4260 263: ok 4261 263: ok 4262 263: ok 4263 263: ok 4264 263: ok 4265 263: ok 4266 263: ok 4267 263: ok 4268 263: ok 4269 263: ok 4270 263: ok 4271 263: ok 4272 263: ok 4273 263: ok 4274 263: ok 4275 263: ok 4276 263: ok 4277 263: ok 4278 263: ok 4279 263: ok 4280 263: ok 4281 263: ok 4282 263: ok 4283 263: ok 4284 263: ok 4285 263: ok 4286 263: ok 4287 263: ok 4288 263: ok 4289 263: ok 4290 263: ok 4291 263: ok 4292 263: ok 4293 263: ok 4294 263: ok 4295 263: ok 4296 263: ok 4297 263: ok 4298 263: ok 4299 263: ok 4300 263: ok 4301 263: ok 4302 263: ok 4303 263: ok 4304 263: ok 4305 263: ok 4306 263: ok 4307 263: ok 4308 263: ok 4309 263: ok 4310 263: ok 4311 263: ok 4312 263: ok 4313 263: ok 4314 263: ok 4315 263: ok 4316 263: ok 4317 263: ok 4318 263: ok 4319 263: ok 4320 263: ok 4321 263: ok 4322 263: ok 4323 263: ok 4324 263: ok 4325 263: ok 4326 263: ok 4327 263: ok 4328 263: ok 4329 263: ok 4330 263: ok 4331 263: ok 4332 263: ok 4333 263: ok 4334 263: ok 4335 263: ok 4336 263: ok 4337 263: ok 4338 263: ok 4339 263: ok 4340 263: ok 4341 263: ok 4342 263: ok 4343 263: ok 4344 263: ok 4345 263: ok 4346 263: ok 4347 263: ok 4348 263: ok 4349 263: ok 4350 263: ok 4351 263: ok 4352 263: ok 4353 263: ok 4354 263: ok 4355 263: ok 4356 263: ok 4357 263: ok 4358 263: ok 4359 263: ok 4360 263: ok 4361 263: ok 4362 263: ok 4363 263: ok 4364 263: ok 4365 263: ok 4366 263: ok 4367 263: ok 4368 263: ok 4369 263: ok 4370 263: ok 4371 263: ok 4372 263: ok 4373 263: ok 4374 263: ok 4375 263: ok 4376 263: ok 4377 263: ok 4378 263: ok 4379 263: ok 4380 263: ok 4381 263: ok 4382 263: ok 4383 263: ok 4384 263: ok 4385 263: ok 4386 263: ok 4387 263: ok 4388 263: ok 4389 263: ok 4390 263: ok 4391 263: ok 4392 263: ok 4393 263: ok 4394 263: ok 4395 263: ok 4396 263: ok 4397 263: ok 4398 263: ok 4399 263: ok 4400 263: ok 4401 263: ok 4402 263: ok 4403 263: ok 4404 263: ok 4405 263: ok 4406 263: ok 4407 263: ok 4408 263: ok 4409 263: ok 4410 263: ok 4411 263: ok 4412 263: ok 4413 263: ok 4414 263: ok 4415 263: ok 4416 263: ok 4417 263: ok 4418 263: ok 4419 263: ok 4420 263: ok 4421 263: ok 4422 263: ok 4423 263: ok 4424 263: ok 4425 263: ok 4426 263: ok 4427 263: ok 4428 263: ok 4429 263: ok 4430 263: ok 4431 263: ok 4432 263: ok 4433 263: ok 4434 263: ok 4435 263: ok 4436 263: ok 4437 263: ok 4438 263: ok 4439 263: ok 4440 263: ok 4441 263: ok 4442 263: ok 4443 263: ok 4444 263: ok 4445 263: ok 4446 263: ok 4447 263: ok 4448 263: ok 4449 263: ok 4450 263: ok 4451 263: ok 4452 263: ok 4453 263: ok 4454 263: ok 4455 263: ok 4456 263: ok 4457 263: ok 4458 263: ok 4459 263: ok 4460 263: ok 4461 263: ok 4462 263: ok 4463 263: ok 4464 263: ok 4465 263: ok 4466 263: ok 4467 263: ok 4468 263: ok 4469 263: ok 4470 263: ok 4471 263: ok 4472 263: ok 4473 263: ok 4474 263: ok 4475 263: ok 4476 263: ok 4477 263: ok 4478 263: ok 4479 263: ok 4480 263: ok 4481 263: ok 4482 263: ok 4483 263: ok 4484 263: ok 4485 263: ok 4486 263: ok 4487 263: ok 4488 263: ok 4489 263: ok 4490 263: ok 4491 263: ok 4492 263: ok 4493 263: ok 4494 263: ok 4495 263: ok 4496 263: ok 4497 263: ok 4498 263: ok 4499 263: ok 4500 263: ok 4501 263: ok 4502 263: ok 4503 263: ok 4504 263: ok 4505 263: ok 4506 263: ok 4507 263: ok 4508 263: ok 4509 263: ok 4510 263: ok 4511 263: ok 4512 263: ok 4513 263: ok 4514 263: ok 4515 263: ok 4516 263: ok 4517 263: ok 4518 263: ok 4519 263: ok 4520 263: ok 4521 263: ok 4522 263: ok 4523 263: ok 4524 263: ok 4525 263: ok 4526 263: ok 4527 263: ok 4528 263: ok 4529 263: ok 4530 263: ok 4531 263: ok 4532 263: ok 4533 263: ok 4534 263: ok 4535 263: ok 4536 263: ok 4537 263: ok 4538 263: ok 4539 263: ok 4540 263: ok 4541 263: ok 4542 263: ok 4543 263: ok 4544 263: ok 4545 263: ok 4546 263: ok 4547 263: ok 4548 263: ok 4549 263: ok 4550 263: ok 4551 263: ok 4552 263: ok 4553 263: ok 4554 263: ok 4555 263: ok 4556 263: ok 4557 263: ok 4558 263: ok 4559 263: ok 4560 263: ok 4561 263: ok 4562 263: ok 4563 263: ok 4564 263: ok 4565 263: ok 4566 263: ok 4567 263: ok 4568 263: ok 4569 263: ok 4570 263: ok 4571 263: ok 4572 263: ok 4573 263: ok 4574 263: ok 4575 263: ok 4576 263: ok 4577 263: ok 4578 263: ok 4579 263: ok 4580 263: ok 4581 263: ok 4582 263: ok 4583 263: ok 4584 263: ok 4585 263: ok 4586 263: ok 4587 263: ok 4588 263: ok 4589 263: ok 4590 263: ok 4591 263: ok 4592 263: ok 4593 263: ok 4594 263: ok 4595 263: ok 4596 263: ok 4597 263: ok 4598 263: ok 4599 263: ok 4600 263: ok 4601 263: ok 4602 263: ok 4603 263: ok 4604 263: ok 4605 263: ok 4606 263: ok 4607 263: ok 4608 263: ok 4609 263: ok 4610 263: ok 4611 263: ok 4612 263: ok 4613 263: ok 4614 263: ok 4615 263: ok 4616 263: ok 4617 263: ok 4618 263: ok 4619 263: ok 4620 263: ok 4621 263: ok 4622 263: ok 4623 263: ok 4624 263: ok 4625 263: ok 4626 263: ok 4627 263: ok 4628 263: ok 4629 263: ok 4630 263: ok 4631 263: ok 4632 263: ok 4633 263: ok 4634 263: ok 4635 263: ok 4636 263: ok 4637 263: ok 4638 263: ok 4639 263: ok 4640 263: ok 4641 263: ok 4642 263: ok 4643 263: ok 4644 263: ok 4645 263: ok 4646 263: ok 4647 263: ok 4648 263: ok 4649 263: ok 4650 263: ok 4651 263: ok 4652 263: ok 4653 263: ok 4654 263: ok 4655 263: ok 4656 263: ok 4657 263: ok 4658 263: ok 4659 263: ok 4660 263: ok 4661 263: ok 4662 263: ok 4663 263: ok 4664 263: ok 4665 263: ok 4666 263: ok 4667 263: ok 4668 263: ok 4669 263: ok 4670 263: ok 4671 263: ok 4672 263: ok 4673 263: ok 4674 263: ok 4675 263: ok 4676 263: ok 4677 263: ok 4678 263: ok 4679 263: ok 4680 263: ok 4681 263: ok 4682 263: ok 4683 263: ok 4684 263: ok 4685 263: ok 4686 263: ok 4687 263: ok 4688 263: ok 4689 263: ok 4690 263: ok 4691 263: ok 4692 263: ok 4693 263: ok 4694 263: ok 4695 263: ok 4696 263: ok 4697 263: ok 4698 263: ok 4699 263: ok 4700 263: ok 4701 263: ok 4702 263: ok 4703 263: ok 4704 263: ok 4705 263: ok 4706 263: ok 4707 263: ok 4708 263: ok 4709 263: ok 4710 263: ok 4711 263: ok 4712 263: ok 4713 263: ok 4714 263: ok 4715 263: ok 4716 263: ok 4717 263: ok 4718 263: ok 4719 263: ok 4720 263: ok 4721 263: ok 4722 263: ok 4723 263: ok 4724 263: ok 4725 263: ok 4726 263: ok 4727 263: ok 4728 263: ok 4729 263: ok 4730 263: ok 4731 263: ok 4732 263: ok 4733 263: ok 4734 263: ok 4735 263: ok 4736 263: ok 4737 263: ok 4738 263: ok 4739 263: ok 4740 263: ok 4741 263: ok 4742 263: ok 4743 263: ok 4744 263: ok 4745 263: ok 4746 263: ok 4747 263: ok 4748 263: ok 4749 263: ok 4750 263: ok 4751 263: ok 4752 263: ok 4753 263: ok 4754 263: ok 4755 263: ok 4756 263: ok 4757 263: ok 4758 263: ok 4759 263: ok 4760 263: ok 4761 263: ok 4762 263: ok 4763 263: ok 4764 263: ok 4765 263: ok 4766 263: ok 4767 263: ok 4768 263: ok 4769 263: ok 4770 263: ok 4771 263: ok 4772 263: ok 4773 263: ok 4774 263: ok 4775 263: ok 4776 263: ok 4777 263: ok 4778 263: ok 4779 263: ok 4780 263: ok 4781 263: ok 4782 263: ok 4783 263: ok 4784 263: ok 4785 263: ok 4786 263: ok 4787 263: ok 4788 263: ok 4789 263: ok 4790 263: ok 4791 263: ok 4792 263: ok 4793 263: ok 4794 263: ok 4795 263: ok 4796 263: ok 4797 263: ok 4798 263: ok 4799 263: ok 4800 263: ok 4801 263: ok 4802 263: ok 4803 263: ok 4804 263: ok 4805 263: ok 4806 263: ok 4807 263: ok 4808 263: ok 4809 263: ok 4810 263: ok 4811 263: ok 4812 263: ok 4813 263: ok 4814 263: ok 4815 263: ok 4816 263: ok 4817 263: ok 4818 263: ok 4819 263: ok 4820 263: ok 4821 263: ok 4822 263: ok 4823 263: ok 4824 263: ok 4825 263: ok 4826 263: ok 4827 263: ok 4828 263: ok 4829 263: ok 4830 263: ok 4831 263: ok 4832 263: ok 4833 263: ok 4834 263: ok 4835 263: ok 4836 263: ok 4837 263: ok 4838 263: ok 4839 263: ok 4840 263: ok 4841 263: ok 4842 263: ok 4843 263: ok 4844 263: ok 4845 263: ok 4846 263: ok 4847 263: ok 4848 263: ok 4849 263: ok 4850 263: ok 4851 263: ok 4852 263: ok 4853 263: ok 4854 263: ok 4855 263: ok 4856 263: ok 4857 263: ok 4858 263: ok 4859 263: ok 4860 263: ok 4861 263: ok 4862 263: ok 4863 263: ok 4864 263: ok 4865 263: ok 4866 263: ok 4867 263: ok 4868 263: ok 4869 263: ok 4870 263: ok 4871 263: ok 4872 263: ok 4873 263: ok 4874 263: ok 4875 263: ok 4876 263: ok 4877 263: ok 4878 263: ok 4879 263: ok 4880 263: ok 4881 263: ok 4882 263: ok 4883 263: ok 4884 263: ok 4885 263: ok 4886 263: ok 4887 263: ok 4888 263: ok 4889 263: ok 4890 263: ok 4891 263: ok 4892 263: ok 4893 263: ok 4894 263: ok 4895 263: ok 4896 263: ok 4897 263: ok 4898 263: ok 4899 263: ok 4900 263: ok 4901 263: ok 4902 263: ok 4903 263: ok 4904 263: ok 4905 263: ok 4906 263: ok 4907 263: ok 4908 263: ok 4909 263: ok 4910 263: ok 4911 263: ok 4912 263: ok 4913 263: ok 4914 263: ok 4915 263: ok 4916 263: ok 4917 263: ok 4918 263: ok 4919 263: ok 4920 263: ok 4921 263: ok 4922 263: ok 4923 263: ok 4924 263: ok 4925 263: ok 4926 263: ok 4927 263: ok 4928 263: ok 4929 263: ok 4930 263: ok 4931 263: ok 4932 263: ok 4933 263: ok 4934 263: ok 4935 263: ok 4936 263: ok 4937 263: ok 4938 263: ok 4939 263: ok 4940 263: ok 4941 263: ok 4942 263: ok 4943 263: ok 4944 263: ok 4945 263: ok 4946 263: ok 4947 263: ok 4948 263: ok 4949 263: ok 4950 263: ok 4951 263: ok 4952 263: ok 4953 263: ok 4954 263: ok 4955 263: ok 4956 263: ok 4957 263: ok 4958 263: ok 4959 263: ok 4960 263: ok 4961 263: ok 4962 263: ok 4963 263: ok 4964 263: ok 4965 263: ok 4966 263: ok 4967 263: ok 4968 263: ok 4969 263: ok 4970 263: ok 4971 263: ok 4972 263: ok 4973 263: ok 4974 263: ok 4975 263: ok 4976 263: ok 4977 263: ok 4978 263: ok 4979 263: ok 4980 263: ok 4981 263: ok 4982 263: ok 4983 263: ok 4984 263: ok 4985 263: ok 4986 263: ok 4987 263: ok 4988 263: ok 4989 263: ok 4990 263: ok 4991 263: ok 4992 263: ok 4993 263: ok 4994 263: ok 4995 263: ok 4996 263: ok 4997 263: ok 4998 263: ok 4999 263: ok 5000 263: ok 5001 263: ok 5002 263: ok 5003 263: ok 5004 263: ok 5005 263: ok 5006 263: ok 5007 263: ok 5008 263: ok 5009 263: ok 5010 263: ok 5011 263: ok 5012 263: ok 5013 263: ok 5014 263: ok 5015 263: ok 5016 263: ok 5017 263: ok 5018 263: ok 5019 263: ok 5020 263: ok 5021 263: ok 5022 263: ok 5023 263: ok 5024 263: ok 5025 263: ok 5026 263: ok 5027 263: ok 5028 263: ok 5029 263: ok 5030 263: ok 5031 263: ok 5032 263: ok 5033 263: ok 5034 263: ok 5035 263: ok 5036 263: ok 5037 263: ok 5038 263: ok 5039 263: ok 5040 263: ok 5041 263: ok 5042 263: ok 5043 263: ok 5044 263: ok 5045 263: ok 5046 263: ok 5047 263: ok 5048 263: ok 5049 263: ok 5050 263: ok 5051 263: ok 5052 263: ok 5053 263: ok 5054 263: ok 5055 263: ok 5056 263: ok 5057 263: ok 5058 263: ok 5059 263: ok 5060 263: ok 5061 263: ok 5062 263: ok 5063 263: ok 5064 263: ok 5065 263: ok 5066 263: ok 5067 263: ok 5068 263: ok 5069 263: ok 5070 263: ok 5071 263: ok 5072 263: ok 5073 263: ok 5074 263: ok 5075 263: ok 5076 263: ok 5077 263: ok 5078 263: ok 5079 263: ok 5080 263: ok 5081 263: ok 5082 263: ok 5083 263: ok 5084 263: ok 5085 263: ok 5086 263: ok 5087 263: ok 5088 263: ok 5089 263: ok 5090 263: ok 5091 263: ok 5092 263: ok 5093 263: ok 5094 263: ok 5095 263: ok 5096 263: ok 5097 263: ok 5098 263: ok 5099 263: ok 5100 263: ok 5101 263: ok 5102 263: ok 5103 263: ok 5104 263: ok 5105 263: ok 5106 263: ok 5107 263: ok 5108 263: ok 5109 263: ok 5110 263: ok 5111 263: ok 5112 263: ok 5113 263: ok 5114 263: ok 5115 263: ok 5116 263: ok 5117 263: ok 5118 263: ok 5119 263: ok 5120 263: ok 5121 263: ok 5122 263: ok 5123 263: ok 5124 263: ok 5125 263: ok 5126 263: ok 5127 263: ok 5128 263: ok 5129 263: ok 5130 263: ok 5131 263: ok 5132 263: ok 5133 263: ok 5134 263: ok 5135 263: ok 5136 263: ok 5137 263: ok 5138 263: ok 5139 263: ok 5140 263: ok 5141 263: ok 5142 263: ok 5143 263: ok 5144 263: ok 5145 263: ok 5146 263: ok 5147 263: ok 5148 263: ok 5149 263: ok 5150 263: ok 5151 263: ok 5152 263: ok 5153 263: ok 5154 263: ok 5155 263: ok 5156 263: ok 5157 263: ok 5158 263: ok 5159 263: ok 5160 263: ok 5161 263: ok 5162 263: ok 5163 263: ok 5164 263: ok 5165 263: ok 5166 263: ok 5167 263: ok 5168 263: ok 5169 263: ok 5170 263: ok 5171 263: ok 5172 263: ok 5173 263: ok 5174 263: ok 5175 263: ok 5176 263: ok 5177 263: ok 5178 263: ok 5179 263: ok 5180 263: ok 5181 263: ok 5182 263: ok 5183 263: ok 5184 263: ok 5185 263: ok 5186 263: ok 5187 263: ok 5188 263: ok 5189 263: ok 5190 263: ok 5191 263: ok 5192 263: ok 5193 263: ok 5194 263: ok 5195 263: ok 5196 263: ok 5197 263: ok 5198 263: ok 5199 263: ok 5200 263: ok 5201 263: ok 5202 263: ok 5203 263: ok 5204 263: ok 5205 263: ok 5206 263: ok 5207 263: ok 5208 263: ok 5209 263: ok 5210 263: ok 5211 263: ok 5212 263: ok 5213 263: ok 5214 263: ok 5215 263: ok 5216 263: ok 5217 263: ok 5218 263: ok 5219 263: ok 5220 263: ok 5221 263: ok 5222 263: ok 5223 263: ok 5224 263: ok 5225 263: ok 5226 263: ok 5227 263: ok 5228 263: ok 5229 263: ok 5230 263: ok 5231 263: ok 5232 263: ok 5233 263: ok 5234 263: ok 5235 263: ok 5236 263: ok 5237 263: ok 5238 263: ok 5239 263: ok 5240 263: ok 5241 263: ok 5242 263: ok 5243 263: ok 5244 263: ok 5245 263: ok 5246 263: ok 5247 263: ok 5248 263: ok 5249 263: ok 5250 263: ok 5251 263: ok 5252 263: ok 5253 263: ok 5254 263: ok 5255 263: ok 5256 263: ok 5257 263: ok 5258 263: ok 5259 263: ok 5260 263: ok 5261 263: ok 5262 263: ok 5263 263: ok 5264 263: ok 5265 263: ok 5266 263: ok 5267 263: ok 5268 263: ok 5269 263: ok 5270 263: ok 5271 263: ok 5272 263: ok 5273 263: ok 5274 263: ok 5275 263: ok 5276 263: ok 5277 263: ok 5278 263: ok 5279 263: ok 5280 263: ok 5281 263: ok 5282 263: ok 5283 263: ok 5284 263: ok 5285 263: ok 5286 263: ok 5287 263: ok 5288 263: ok 5289 263: ok 5290 263: ok 5291 263: ok 5292 263: ok 5293 263: ok 5294 263: ok 5295 263: ok 5296 263: ok 5297 263: ok 5298 263: ok 5299 263: ok 5300 263: ok 5301 263: ok 5302 263: ok 5303 263: ok 5304 263: ok 5305 263: ok 5306 263: ok 5307 263: ok 5308 263: ok 5309 263: ok 5310 263: ok 5311 263: ok 5312 263: ok 5313 263: ok 5314 263: ok 5315 263: ok 5316 263: ok 5317 263: ok 5318 263: ok 5319 263: ok 5320 263: ok 5321 263: ok 5322 263: ok 5323 263: ok 5324 263: ok 5325 263: ok 5326 263: ok 5327 263: ok 5328 263: ok 5329 263: ok 5330 263: ok 5331 263: ok 5332 263: ok 5333 263: ok 5334 263: ok 5335 263: ok 5336 263: ok 5337 263: ok 5338 263: ok 5339 263: ok 5340 263: ok 5341 263: ok 5342 263: ok 5343 263: ok 5344 263: ok 5345 263: ok 5346 263: ok 5347 263: ok 5348 263: ok 5349 263: ok 5350 263: ok 5351 263: ok 5352 263: ok 5353 263: ok 5354 263: ok 5355 263: ok 5356 263: ok 5357 263: ok 5358 263: ok 5359 263: ok 5360 263: ok 5361 263: ok 5362 263: ok 5363 263: ok 5364 263: ok 5365 263: ok 5366 263: ok 5367 263: ok 5368 263: ok 5369 263: ok 5370 263: ok 5371 263: ok 5372 263: ok 5373 263: ok 5374 263: ok 5375 263: ok 5376 263: ok 5377 263: ok 5378 263: ok 5379 263: ok 5380 263: ok 5381 263: ok 5382 263: ok 5383 263: ok 5384 263: ok 5385 263: ok 5386 263: ok 5387 263: ok 5388 263: ok 5389 263: ok 5390 263: ok 5391 263: ok 5392 263: ok 5393 263: ok 5394 263: ok 5395 263: ok 5396 263: ok 5397 263: ok 5398 263: ok 5399 263: ok 5400 263: ok 5401 263: ok 5402 263: ok 5403 263: ok 5404 263: ok 5405 263: ok 5406 263: ok 5407 263: ok 5408 263: ok 5409 263: ok 5410 263: ok 5411 263: ok 5412 263: ok 5413 263: ok 5414 263: ok 5415 263: ok 5416 263: ok 5417 263: ok 5418 263: ok 5419 263: ok 5420 263: ok 5421 263: ok 5422 263: ok 5423 263: ok 5424 263: ok 5425 263: ok 5426 263: ok 5427 263: ok 5428 263: ok 5429 263: ok 5430 263: ok 5431 263: ok 5432 263: ok 5433 263: ok 5434 263: ok 5435 263: ok 5436 263: ok 5437 263: ok 5438 263: ok 5439 263: ok 5440 263: ok 5441 263: ok 5442 263: ok 5443 263: ok 5444 263: ok 5445 263: ok 5446 263: ok 5447 263: ok 5448 263: ok 5449 263: ok 5450 263: ok 5451 263: ok 5452 263: ok 5453 263: ok 5454 263: ok 5455 263: ok 5456 263: ok 5457 263: ok 5458 263: ok 5459 263: ok 5460 263: ok 5461 263: ok 5462 263: ok 5463 263: ok 5464 263: ok 5465 263: ok 5466 263: ok 5467 263: ok 5468 263: ok 5469 263: ok 5470 263: ok 5471 263: ok 5472 263: ok 5473 263: ok 5474 263: ok 5475 263: ok 5476 263: ok 5477 263: ok 5478 263: ok 5479 263: ok 5480 263: ok 5481 263: ok 5482 263: ok 5483 263: ok 5484 263: ok 5485 263: ok 5486 263: ok 5487 263: ok 5488 263: ok 5489 263: ok 5490 263: ok 5491 263: ok 5492 263: ok 5493 263: ok 5494 263: ok 5495 263: ok 5496 263: ok 5497 263: ok 5498 263: ok 5499 263: ok 5500 263: ok 5501 263: ok 5502 263: ok 5503 263: ok 5504 263: ok 5505 263: ok 5506 263: ok 5507 263: ok 5508 263: ok 5509 263: ok 5510 263: ok 5511 263: ok 5512 263: ok 5513 263: ok 5514 263: ok 5515 263: ok 5516 263: ok 5517 263: ok 5518 263: ok 5519 263: ok 5520 263: ok 5521 263: ok 5522 263: ok 5523 263: ok 5524 263: ok 5525 263: ok 5526 263: ok 5527 263: ok 5528 263: ok 5529 263: ok 5530 263: ok 5531 263: ok 5532 263: ok 5533 263: ok 5534 263: ok 5535 263: ok 5536 263: ok 5537 263: ok 5538 263: ok 5539 263: ok 5540 263: ok 5541 263: ok 5542 263: ok 5543 263: ok 5544 263: ok 5545 263: ok 5546 263: ok 5547 263: ok 5548 263: ok 5549 263: ok 5550 263: ok 5551 263: ok 5552 263: ok 5553 263: ok 5554 263: ok 5555 263: ok 5556 263: ok 5557 263: ok 5558 263: ok 5559 263: ok 5560 263: ok 5561 263: ok 5562 263: ok 5563 263: ok 5564 263: ok 5565 263: ok 5566 263: ok 5567 263: ok 5568 263: ok 5569 263: ok 5570 263: ok 5571 263: ok 5572 263: ok 5573 263: ok 5574 263: ok 5575 263: ok 5576 263: ok 5577 263: ok 5578 263: ok 5579 263: ok 5580 263: ok 5581 263: ok 5582 263: ok 5583 263: ok 5584 263: ok 5585 263: ok 5586 263: ok 5587 263: ok 5588 263: ok 5589 263: ok 5590 263: ok 5591 263: ok 5592 263: ok 5593 263: ok 5594 263: ok 5595 263: ok 5596 263: ok 5597 263: ok 5598 263: ok 5599 263: ok 5600 263: ok 5601 263: ok 5602 263: ok 5603 263: ok 5604 263: ok 5605 263: ok 5606 263: ok 5607 263: ok 5608 263: ok 5609 263: ok 5610 263: ok 5611 263: ok 5612 263: ok 5613 263: ok 5614 263: ok 5615 263: ok 5616 263: ok 5617 263: ok 5618 263: ok 5619 263: ok 5620 263: ok 5621 263: ok 5622 263: ok 5623 263: ok 5624 263: ok 5625 263: ok 5626 263: ok 5627 263: ok 5628 263: ok 5629 263: ok 5630 263: ok 5631 263: ok 5632 263: ok 5633 263: ok 5634 263: ok 5635 263: ok 5636 263: ok 5637 263: ok 5638 263: ok 5639 263: ok 5640 263: ok 5641 263: ok 5642 263: ok 5643 263: ok 5644 263: ok 5645 263: ok 5646 263: ok 5647 263: ok 5648 263: ok 5649 263: ok 5650 263: ok 5651 263: ok 5652 263: ok 5653 263: ok 5654 263: ok 5655 263: ok 5656 263: ok 5657 263: ok 5658 263: ok 5659 263: ok 5660 263: ok 5661 263: ok 5662 263: ok 5663 263: ok 5664 263: ok 5665 263: ok 5666 263: ok 5667 263: ok 5668 263: ok 5669 263: ok 5670 263: ok 5671 263: ok 5672 263: ok 5673 263: ok 5674 263: ok 5675 263: ok 5676 263: ok 5677 263: ok 5678 263: ok 5679 263: ok 5680 263: ok 5681 263: ok 5682 263: ok 5683 263: ok 5684 263: ok 5685 263: ok 5686 263: ok 5687 263: ok 5688 263: ok 5689 263: ok 5690 263: ok 5691 263: ok 5692 263: ok 5693 263: ok 5694 263: ok 5695 263: ok 5696 263: ok 5697 263: ok 5698 263: ok 5699 263: ok 5700 263: ok 5701 263: ok 5702 263: ok 5703 263: ok 5704 263: ok 5705 263: ok 5706 263: ok 5707 263: ok 5708 263: ok 5709 263: ok 5710 263: ok 5711 263: ok 5712 263: ok 5713 263: ok 5714 263: ok 5715 263: ok 5716 263: ok 5717 263: ok 5718 263: ok 5719 263: ok 5720 263: ok 5721 263: ok 5722 263: ok 5723 263: ok 5724 263: ok 5725 263: ok 5726 263: ok 5727 263: ok 5728 263: ok 5729 263: ok 5730 263: ok 5731 263: ok 5732 263: ok 5733 263: ok 5734 263: ok 5735 263: ok 5736 263: ok 5737 263: ok 5738 263: ok 5739 263: ok 5740 263: ok 5741 263: ok 5742 263: ok 5743 263: ok 5744 263: ok 5745 263: ok 5746 263: ok 5747 263: ok 5748 263: ok 5749 263: ok 5750 263: ok 5751 263: ok 5752 263: ok 5753 263: ok 5754 263: ok 5755 263: ok 5756 263: ok 5757 263: ok 5758 263: ok 5759 263: ok 5760 263: ok 5761 263: ok 5762 263: ok 5763 263: ok 5764 263: ok 5765 263: ok 5766 263: ok 5767 263: ok 5768 263: ok 5769 263: ok 5770 263: ok 5771 263: ok 5772 263: ok 5773 263: ok 5774 263: ok 5775 263: ok 5776 263: ok 5777 263: ok 5778 263: ok 5779 263: ok 5780 263: ok 5781 263: ok 5782 263: ok 5783 263: ok 5784 263: ok 5785 263: ok 5786 263: ok 5787 263: ok 5788 263: ok 5789 263: ok 5790 263: ok 5791 263: ok 5792 263: ok 5793 263: ok 5794 263: ok 5795 263: ok 5796 263: ok 5797 263: ok 5798 263: ok 5799 263: ok 5800 263: ok 5801 263: ok 5802 263: ok 5803 263: ok 5804 263: ok 5805 263: ok 5806 263: ok 5807 263: ok 5808 263: ok 5809 263: ok 5810 263: ok 5811 263: ok 5812 263: ok 5813 263: ok 5814 263: ok 5815 263: ok 5816 263: ok 5817 263: ok 5818 263: ok 5819 263: ok 5820 263: ok 5821 263: ok 5822 263: ok 5823 263: ok 5824 263: ok 5825 263: ok 5826 263: ok 5827 263: ok 5828 263: ok 5829 263: ok 5830 263: ok 5831 263: ok 5832 263: ok 5833 263: ok 5834 263: ok 5835 263: ok 5836 263: ok 5837 263: ok 5838 263: ok 5839 263: ok 5840 263: ok 5841 263: ok 5842 263: ok 5843 263: ok 5844 263: ok 5845 263: ok 5846 263: ok 5847 263: ok 5848 263: ok 5849 263: ok 5850 263: ok 5851 263: ok 5852 263: ok 5853 263: ok 5854 263: ok 5855 263: ok 5856 263: ok 5857 263: ok 5858 263: ok 5859 263: ok 5860 263: ok 5861 263: ok 5862 263: ok 5863 263: ok 5864 263: ok 5865 263: ok 5866 263: ok 5867 263: ok 5868 263: ok 5869 263: ok 5870 263: ok 5871 263: ok 5872 263: ok 5873 263: ok 5874 263: ok 5875 263: ok 5876 263: ok 5877 263: ok 5878 263: ok 5879 263: ok 5880 263: ok 5881 263: ok 5882 263: ok 5883 263: ok 5884 263: ok 5885 263: ok 5886 263: ok 5887 263: ok 5888 263: ok 5889 263: ok 5890 263: ok 5891 263: ok 5892 263: ok 5893 263: ok 5894 263: ok 5895 263: ok 5896 263: ok 5897 263: ok 5898 263: ok 5899 263: ok 5900 263: ok 5901 263: ok 5902 263: ok 5903 263: ok 5904 263: ok 5905 263: ok 5906 263: ok 5907 263: ok 5908 263: ok 5909 263: ok 5910 263: ok 5911 263: ok 5912 263: ok 5913 263: ok 5914 263: ok 5915 263: ok 5916 263: ok 5917 263: ok 5918 263: ok 5919 263: ok 5920 263: ok 5921 263: ok 5922 263: ok 5923 263: ok 5924 263: ok 5925 263: ok 5926 263: ok 5927 263: ok 5928 263: ok 5929 263: ok 5930 263: ok 5931 263: ok 5932 263: ok 5933 263: ok 5934 263: ok 5935 263: ok 5936 263: ok 5937 263: ok 5938 263: ok 5939 263: ok 5940 263: ok 5941 263: ok 5942 263: ok 5943 263: ok 5944 263: ok 5945 263: ok 5946 263: ok 5947 263: ok 5948 263: ok 5949 263: ok 5950 263: ok 5951 263: ok 5952 263: ok 5953 263: ok 5954 263: ok 5955 263: ok 5956 263: ok 5957 263: ok 5958 263: ok 5959 263: ok 5960 263: ok 5961 263: ok 5962 263: ok 5963 263: ok 5964 263: ok 5965 263: ok 5966 263: ok 5967 263: ok 5968 263: ok 5969 263: ok 5970 263: ok 5971 263: ok 5972 263: ok 5973 263: ok 5974 263: ok 5975 263: ok 5976 263: ok 5977 263: ok 5978 263: ok 5979 263: ok 5980 263: ok 5981 263: ok 5982 263: ok 5983 263: ok 5984 263: ok 5985 263: ok 5986 263: ok 5987 263: ok 5988 263: ok 5989 263: ok 5990 263: ok 5991 263: ok 5992 263: ok 5993 263: ok 5994 263: ok 5995 263: ok 5996 263: ok 5997 263: ok 5998 263: ok 5999 263: ok 6000 263: ok 6001 263: ok 6002 263: ok 6003 263: ok 6004 263: ok 6005 263: ok 6006 263: ok 6007 263: ok 6008 263: ok 6009 263: ok 6010 263: ok 6011 263: ok 6012 263: ok 6013 263: ok 6014 263: ok 6015 263: ok 6016 263: ok 6017 263: ok 6018 263: ok 6019 263: ok 6020 263: ok 6021 263: ok 6022 263: ok 6023 263: ok 6024 263: ok 6025 263: ok 6026 263: ok 6027 263: ok 6028 263: ok 6029 263: ok 6030 263: ok 6031 263: ok 6032 263: ok 6033 263: ok 6034 263: ok 6035 263: ok 6036 263: ok 6037 263: ok 6038 263: ok 6039 263: ok 6040 263: ok 6041 263: ok 6042 263: ok 6043 263: ok 6044 263: ok 6045 263: ok 6046 263: ok 6047 263: ok 6048 263: ok 6049 263: ok 6050 263: ok 6051 263: ok 6052 263: ok 6053 263: ok 6054 263: ok 6055 263: ok 6056 263: ok 6057 263: ok 6058 263: ok 6059 263: ok 6060 263: ok 6061 263: ok 6062 263: ok 6063 263: ok 6064 263: ok 6065 263: ok 6066 263: ok 6067 263: ok 6068 263: ok 6069 263: ok 6070 263: ok 6071 263: ok 6072 263: ok 6073 263: ok 6074 263: ok 6075 263: ok 6076 263: ok 6077 263: ok 6078 263: ok 6079 263: ok 6080 263: ok 6081 263: ok 6082 263: ok 6083 263: ok 6084 263: ok 6085 263: ok 6086 263: ok 6087 263: ok 6088 263: ok 6089 263: ok 6090 263: ok 6091 263: ok 6092 263: ok 6093 263: ok 6094 263: ok 6095 263: ok 6096 263: ok 6097 263: ok 6098 263: ok 6099 263: ok 6100 263: ok 6101 263: ok 6102 263: ok 6103 263: ok 6104 263: ok 6105 263: ok 6106 263: ok 6107 263: ok 6108 263: ok 6109 263: ok 6110 263: ok 6111 263: ok 6112 263: ok 6113 263: ok 6114 263: ok 6115 263: ok 6116 263: ok 6117 263: ok 6118 263: ok 6119 263: ok 6120 263: ok 6121 263: ok 6122 263: ok 6123 263: ok 6124 263: ok 6125 263: ok 6126 263: ok 6127 263: ok 6128 263: ok 6129 263: ok 6130 263: ok 6131 263: ok 6132 263: ok 6133 263: ok 6134 263: ok 6135 263: ok 6136 263: ok 6137 263: ok 6138 263: ok 6139 263: ok 6140 263: ok 6141 263: ok 6142 263: ok 6143 263: ok 6144 263: ok 6145 263: ok 6146 263: ok 6147 263: ok 6148 263: ok 6149 263: ok 6150 263: ok 6151 263: ok 6152 263: ok 6153 263: ok 6154 263: ok 6155 263: ok 6156 263: ok 6157 263: ok 6158 263: ok 6159 263: ok 6160 263: ok 6161 263: ok 6162 263: ok 6163 263: ok 6164 263: ok 6165 263: ok 6166 263: ok 6167 263: ok 6168 263: ok 6169 263: ok 6170 263: ok 6171 263: ok 6172 263: ok 6173 263: ok 6174 263: ok 6175 263: ok 6176 263: ok 6177 263: ok 6178 263: ok 6179 263: ok 6180 263: ok 6181 263: ok 6182 263: ok 6183 263: ok 6184 263: ok 6185 263: ok 6186 263: ok 6187 263: ok 6188 263: ok 6189 263: ok 6190 263: ok 6191 263: ok 6192 263: ok 6193 263: ok 6194 263: ok 6195 263: ok 6196 263: ok 6197 263: ok 6198 263: ok 6199 263: ok 6200 263: ok 6201 263: ok 6202 263: ok 6203 263: ok 6204 263: ok 6205 263: ok 6206 263: ok 6207 263: ok 6208 263: ok 6209 263: ok 6210 263: ok 6211 263: ok 6212 263: ok 6213 263: ok 6214 263: ok 6215 263: ok 6216 263: ok 6217 263: ok 6218 263: ok 6219 263: ok 6220 263: ok 6221 263: ok 6222 263: ok 6223 263: ok 6224 263: ok 6225 263: ok 6226 263: ok 6227 263: ok 6228 263: ok 6229 263: ok 6230 263: ok 6231 263: ok 6232 263: ok 6233 263: ok 6234 263: ok 6235 263: ok 6236 263: ok 6237 263: ok 6238 263: ok 6239 263: ok 6240 263: ok 6241 263: ok 6242 263: ok 6243 263: ok 6244 263: ok 6245 263: ok 6246 263: ok 6247 263: ok 6248 263: ok 6249 263: ok 6250 263: ok 6251 263: ok 6252 263: ok 6253 263: ok 6254 263: ok 6255 263: ok 6256 263: ok 6257 263: ok 6258 263: ok 6259 263: ok 6260 263: ok 6261 263: ok 6262 263: ok 6263 263: ok 6264 263: ok 6265 263: ok 6266 263: ok 6267 263: ok 6268 263: ok 6269 263: ok 6270 263: ok 6271 263: ok 6272 263: ok 6273 263: ok 6274 263: ok 6275 263: ok 6276 263: ok 6277 263: ok 6278 263: ok 6279 263: ok 6280 263: ok 6281 263: ok 6282 263: ok 6283 263: ok 6284 263: ok 6285 263: ok 6286 263: ok 6287 263: ok 6288 263: ok 6289 263: ok 6290 263: ok 6291 263: ok 6292 263: ok 6293 263: ok 6294 263: ok 6295 263: ok 6296 263: ok 6297 263: ok 6298 263: ok 6299 263: ok 6300 263: ok 6301 263: ok 6302 263: ok 6303 263: ok 6304 263: ok 6305 263: ok 6306 263: ok 6307 263: ok 6308 263: ok 6309 263: ok 6310 263: ok 6311 263: ok 6312 263: ok 6313 263: ok 6314 263: ok 6315 263: ok 6316 263: ok 6317 263: ok 6318 263: ok 6319 263: ok 6320 263: ok 6321 263: ok 6322 263: ok 6323 263: ok 6324 263: ok 6325 263: ok 6326 263: ok 6327 263: ok 6328 263: ok 6329 263: ok 6330 263: ok 6331 263: ok 6332 263: ok 6333 263: ok 6334 263: ok 6335 263: ok 6336 263: ok 6337 263: ok 6338 263: ok 6339 263: ok 6340 263: ok 6341 263: ok 6342 263: ok 6343 263: ok 6344 263: ok 6345 263: ok 6346 263: ok 6347 263: ok 6348 263: ok 6349 263: ok 6350 263: ok 6351 263: ok 6352 263: ok 6353 263: ok 6354 263: ok 6355 263: ok 6356 263: ok 6357 263: ok 6358 263: ok 6359 263: ok 6360 263: ok 6361 263: ok 6362 263: ok 6363 263: ok 6364 263: ok 6365 263: ok 6366 263: ok 6367 263: ok 6368 263: ok 6369 263: ok 6370 263: ok 6371 263: ok 6372 263: ok 6373 263: ok 6374 263: ok 6375 263: ok 6376 263: ok 6377 263: ok 6378 263: ok 6379 263: ok 6380 263: ok 6381 263: ok 6382 263: ok 6383 263: ok 6384 263: ok 6385 263: ok 6386 263: ok 6387 263: ok 6388 263: ok 6389 263: ok 6390 263: ok 6391 263: ok 6392 263: ok 6393 263: ok 6394 263: ok 6395 263: ok 6396 263: ok 6397 263: ok 6398 263: ok 6399 263: ok 6400 263: ok 6401 263: ok 6402 263: ok 6403 263: ok 6404 263: ok 6405 263: ok 6406 263: ok 6407 263: ok 6408 263: ok 6409 263: ok 6410 263: ok 6411 263: ok 6412 263: ok 6413 263: ok 6414 263: ok 6415 263: ok 6416 263: ok 6417 263: ok 6418 263: ok 6419 263: ok 6420 263: ok 6421 263: ok 6422 263: ok 6423 263: ok 6424 263: ok 6425 263: ok 6426 263: ok 6427 263: ok 6428 263: ok 6429 263: ok 6430 263: ok 6431 263: ok 6432 263: ok 6433 263: ok 6434 263: ok 6435 263: ok 6436 263: ok 6437 263: ok 6438 263: ok 6439 263: ok 6440 263: ok 6441 263: ok 6442 263: ok 6443 263: ok 6444 263: ok 6445 263: ok 6446 263: ok 6447 263: ok 6448 263: ok 6449 263: ok 6450 263: ok 6451 263: ok 6452 263: ok 6453 263: ok 6454 263: ok 6455 263: ok 6456 263: ok 6457 263: ok 6458 263: ok 6459 263: ok 6460 263: ok 6461 263: ok 6462 263: ok 6463 263: ok 6464 263: ok 6465 263: ok 6466 263: ok 6467 263: ok 6468 263: ok 6469 263: ok 6470 263: ok 6471 263: ok 6472 263: ok 6473 263: ok 6474 263: ok 6475 263: ok 6476 263: ok 6477 263: ok 6478 263: ok 6479 263: ok 6480 263: ok 6481 263: ok 6482 263: ok 6483 263: ok 6484 263: ok 6485 263: ok 6486 263: ok 6487 263: ok 6488 263: ok 6489 263: ok 6490 263: ok 6491 263: ok 6492 263: ok 6493 263: ok 6494 263: ok 6495 263: ok 6496 263: ok 6497 263: ok 6498 263: ok 6499 263: ok 6500 263: ok 6501 263: ok 6502 263: ok 6503 263: ok 6504 263: ok 6505 263: ok 6506 263: ok 6507 263: ok 6508 263: ok 6509 263: ok 6510 263: ok 6511 263: ok 6512 263: ok 6513 263: ok 6514 263: ok 6515 263: ok 6516 263: ok 6517 263: ok 6518 263: ok 6519 263: ok 6520 263: ok 6521 263: ok 6522 263: ok 6523 263: ok 6524 263: ok 6525 263: ok 6526 263: ok 6527 263: ok 6528 263: ok 6529 263: ok 6530 263: ok 6531 263: ok 6532 263: ok 6533 263: ok 6534 263: ok 6535 263: ok 6536 263: ok 6537 263: ok 6538 263: ok 6539 263: ok 6540 263: ok 6541 263: ok 6542 263: ok 6543 263: ok 6544 263: ok 6545 263: ok 6546 263: ok 6547 263: ok 6548 263: ok 6549 263: ok 6550 263: ok 6551 263: ok 6552 263: ok 6553 263: ok 6554 263: ok 6555 263: ok 6556 263: ok 6557 263: ok 6558 263: ok 6559 263: ok 6560 263: ok 6561 263: ok 6562 263: ok 6563 263: ok 6564 263: ok 6565 263: ok 6566 263: ok 6567 263: ok 6568 263: ok 6569 263: ok 6570 263: ok 6571 263: ok 6572 263: ok 6573 263: ok 6574 263: ok 6575 263: ok 6576 263: ok 6577 263: ok 6578 263: ok 6579 263: ok 6580 263: ok 6581 263: ok 6582 263: ok 6583 263: ok 6584 263: ok 6585 263: ok 6586 263: ok 6587 263: ok 6588 263: ok 6589 263: ok 6590 263: ok 6591 263: ok 6592 263: ok 6593 263: ok 6594 263: ok 6595 263: ok 6596 263: ok 6597 263: ok 6598 263: ok 6599 263: ok 6600 263: ok 6601 263: ok 6602 263: ok 6603 263: ok 6604 263: ok 6605 263: ok 6606 263: ok 6607 263: ok 6608 263: ok 6609 263: ok 6610 263: ok 6611 263: ok 6612 263: ok 6613 263: ok 6614 263: ok 6615 263: ok 6616 263: ok 6617 263: ok 6618 263: ok 6619 263: ok 6620 263: ok 6621 263: ok 6622 263: ok 6623 263: ok 6624 263: ok 6625 263: ok 6626 263: ok 6627 263: ok 6628 263: ok 6629 263: ok 6630 263: ok 6631 263: ok 6632 263: ok 6633 263: ok 6634 263: ok 6635 263: ok 6636 263: ok 6637 263: ok 6638 263: ok 6639 263: ok 6640 263: ok 6641 263: ok 6642 263: ok 6643 263: ok 6644 263: ok 6645 263: ok 6646 263: ok 6647 263: ok 6648 263: ok 6649 263: ok 6650 263: ok 6651 263: ok 6652 263: ok 6653 263: ok 6654 263: ok 6655 263: ok 6656 263: ok 6657 263: ok 6658 263: ok 6659 263: ok 6660 263: ok 6661 263: ok 6662 263: ok 6663 263: ok 6664 263: ok 6665 263: ok 6666 263: ok 6667 263: ok 6668 263: ok 6669 263: ok 6670 263: ok 6671 263: ok 6672 263: ok 6673 263: ok 6674 263: ok 6675 263: ok 6676 263: ok 6677 263: ok 6678 263: ok 6679 263: ok 6680 263: ok 6681 263: ok 6682 263: ok 6683 263: ok 6684 263: ok 6685 263: ok 6686 263: ok 6687 263: ok 6688 263: ok 6689 263: ok 6690 263: ok 6691 263: ok 6692 263: ok 6693 263: ok 6694 263: ok 6695 263: ok 6696 263: ok 6697 263: ok 6698 263: ok 6699 263: ok 6700 263: ok 6701 263: ok 6702 263: ok 6703 263: ok 6704 263: ok 6705 263: ok 6706 263: ok 6707 263: ok 6708 263: ok 6709 263: ok 6710 263: ok 6711 263: ok 6712 263: ok 6713 263: ok 6714 263: ok 6715 263: ok 6716 263: ok 6717 263: ok 6718 263: ok 6719 263: ok 6720 263: ok 6721 263: ok 6722 263: ok 6723 263: ok 6724 263: ok 6725 263: ok 6726 263: ok 6727 263: ok 6728 263: ok 6729 263: ok 6730 263: ok 6731 263: ok 6732 263: ok 6733 263: ok 6734 263: ok 6735 263: ok 6736 263: ok 6737 263: ok 6738 263: ok 6739 263: ok 6740 263: ok 6741 263: ok 6742 263: ok 6743 263: ok 6744 263: ok 6745 263: ok 6746 263: ok 6747 263: ok 6748 263: ok 6749 263: ok 6750 263: ok 6751 263: ok 6752 263: ok 6753 263: ok 6754 263: ok 6755 263: ok 6756 263: ok 6757 263: ok 6758 263: ok 6759 263: ok 6760 263: ok 6761 263: ok 6762 263: ok 6763 263: ok 6764 263: ok 6765 263: ok 6766 263: ok 6767 263: ok 6768 263: ok 6769 263: ok 6770 263: ok 6771 263: ok 6772 263: ok 6773 263: ok 6774 263: ok 6775 263: ok 6776 263: ok 6777 263: ok 6778 263: ok 6779 263: ok 6780 263: ok 6781 263: ok 6782 263: ok 6783 263: ok 6784 263: ok 6785 263: ok 6786 263: ok 6787 263: ok 6788 263: ok 6789 263: ok 6790 263: ok 6791 263: ok 6792 263: ok 6793 263: ok 6794 263: ok 6795 263: ok 6796 263: ok 6797 263: ok 6798 263: ok 6799 263: ok 6800 263: ok 6801 263: ok 6802 263: ok 6803 263: ok 6804 263: ok 6805 263: ok 6806 263: ok 6807 263: ok 6808 263: ok 6809 263: ok 6810 263: ok 6811 263: ok 6812 263: ok 6813 263: ok 6814 263: ok 6815 263: ok 6816 263: ok 6817 263: ok 6818 263: ok 6819 263: ok 6820 263: ok 6821 263: ok 6822 263: ok 6823 263: ok 6824 263: ok 6825 263: ok 6826 263: ok 6827 263: ok 6828 263: ok 6829 263: ok 6830 263: ok 6831 263: ok 6832 263: ok 6833 263: ok 6834 263: ok 6835 263: ok 6836 263: ok 6837 263: ok 6838 263: ok 6839 263: ok 6840 263: ok 6841 263: ok 6842 263: ok 6843 263: ok 6844 263: ok 6845 263: ok 6846 263: ok 6847 263: ok 6848 263: ok 6849 263: ok 6850 263: ok 6851 263: ok 6852 263: ok 6853 263: ok 6854 263: ok 6855 263: ok 6856 263: ok 6857 263: ok 6858 263: ok 6859 263: ok 6860 263: ok 6861 263: ok 6862 263: ok 6863 263: ok 6864 263: ok 6865 263: ok 6866 263: ok 6867 263: ok 6868 263: ok 6869 263: ok 6870 263: ok 6871 263: ok 6872 263: ok 6873 263: ok 6874 263: ok 6875 263: ok 6876 263: ok 6877 263: ok 6878 263: ok 6879 263: ok 6880 263: ok 6881 263: ok 6882 263: ok 6883 263: ok 6884 263: ok 6885 263: ok 6886 263: ok 6887 263: ok 6888 263: ok 6889 263: ok 6890 263: ok 6891 263: ok 6892 263: ok 6893 263: ok 6894 263: ok 6895 263: ok 6896 263: ok 6897 263: ok 6898 263: ok 6899 263: ok 6900 263: ok 6901 263: ok 6902 263: ok 6903 263: ok 6904 263: ok 6905 263: ok 6906 263: ok 6907 263: ok 6908 263: ok 6909 263: ok 6910 263: ok 6911 263: ok 6912 263: ok 6913 263: ok 6914 263: ok 6915 263: ok 6916 263: ok 6917 263: ok 6918 263: ok 6919 263: ok 6920 263: ok 6921 263: ok 6922 263: ok 6923 263: ok 6924 263: ok 6925 263: ok 6926 263: ok 6927 263: ok 6928 263: ok 6929 263: ok 6930 263: ok 6931 263: ok 6932 263: ok 6933 263: ok 6934 263: ok 6935 263: ok 6936 263: ok 6937 263: ok 6938 263: ok 6939 263: ok 6940 263: ok 6941 263: ok 6942 263: ok 6943 263: ok 6944 263: ok 6945 263: ok 6946 263: ok 6947 263: ok 6948 263: ok 6949 263: ok 6950 263: ok 6951 263: ok 6952 263: ok 6953 263: ok 6954 263: ok 6955 263: ok 6956 263: ok 6957 263: ok 6958 263: ok 6959 263: ok 6960 263: ok 6961 263: ok 6962 263: ok 6963 263: ok 6964 263: ok 6965 263: ok 6966 263: ok 6967 263: ok 6968 263: ok 6969 263: ok 6970 263: ok 6971 263: ok 6972 263: ok 6973 263: ok 6974 263: ok 6975 263: ok 6976 263: ok 6977 263: ok 6978 263: ok 6979 263: ok 6980 263: ok 6981 263: ok 6982 263: ok 6983 263: ok 6984 263: ok 6985 263: ok 6986 263: ok 6987 263: ok 6988 263: ok 6989 263: ok 6990 263: ok 6991 263: ok 6992 263: ok 6993 263: ok 6994 263: ok 6995 263: ok 6996 263: ok 6997 263: ok 6998 263: ok 6999 263: ok 7000 263: ok 7001 263: ok 7002 263: ok 7003 263: ok 7004 263: ok 7005 263: ok 7006 263: ok 7007 263: ok 7008 263: ok 7009 263: ok 7010 263: ok 7011 263: ok 7012 263: ok 7013 263: ok 7014 263: ok 7015 263: ok 7016 263: ok 7017 263: ok 7018 263: ok 7019 263: ok 7020 263: ok 7021 263: ok 7022 263: ok 7023 263: ok 7024 263: ok 7025 263: ok 7026 263: ok 7027 263: ok 7028 263: ok 7029 263: ok 7030 263: ok 7031 263: ok 7032 263: ok 7033 263: ok 7034 263: ok 7035 263: ok 7036 263: ok 7037 263: ok 7038 263: ok 7039 263: ok 7040 263: ok 7041 263: ok 7042 263: ok 7043 263: ok 7044 263: ok 7045 263: ok 7046 263: ok 7047 263: ok 7048 263: ok 7049 263: ok 7050 263: ok 7051 263: ok 7052 263: ok 7053 263: ok 7054 263: ok 7055 263: ok 7056 263: ok 7057 263: ok 7058 263: ok 7059 263: ok 7060 263: ok 7061 263: ok 7062 263: ok 7063 263: ok 7064 263: ok 7065 263: ok 7066 263: ok 7067 263: ok 7068 263: ok 7069 263: ok 7070 263: ok 7071 263: ok 7072 263: ok 7073 263: ok 7074 263: ok 7075 263: ok 7076 263: ok 7077 263: ok 7078 263: ok 7079 263: ok 7080 263: ok 7081 263: ok 7082 263: ok 7083 263: ok 7084 263: ok 7085 263: ok 7086 263: ok 7087 263: ok 7088 263: ok 7089 263: ok 7090 263: ok 7091 263: ok 7092 263: ok 7093 263: ok 7094 263: ok 7095 263: ok 7096 263: ok 7097 263: ok 7098 263: ok 7099 263: ok 7100 263: ok 7101 263: ok 7102 263: ok 7103 263: ok 7104 263: ok 7105 263: ok 7106 263: ok 7107 263: ok 7108 263: ok 7109 263: ok 7110 263: ok 7111 263: ok 7112 263: ok 7113 263: ok 7114 263: ok 7115 263: ok 7116 263: ok 7117 263: ok 7118 263: ok 7119 263: ok 7120 263: ok 7121 263: ok 7122 263: ok 7123 263: ok 7124 263: ok 7125 263: ok 7126 263: ok 7127 263: ok 7128 263: ok 7129 263: ok 7130 263: ok 7131 263: ok 7132 263: ok 7133 263: ok 7134 263: ok 7135 263: ok 7136 263: ok 7137 263: ok 7138 263: ok 7139 263: ok 7140 263: ok 7141 263: ok 7142 263: ok 7143 263: ok 7144 263: ok 7145 263: ok 7146 263: ok 7147 263: ok 7148 263: ok 7149 263: ok 7150 263: ok 7151 263: ok 7152 263: ok 7153 263: ok 7154 263: ok 7155 263: ok 7156 263: ok 7157 263: ok 7158 263: ok 7159 263: ok 7160 263: ok 7161 263: ok 7162 263: ok 7163 263: ok 7164 263: ok 7165 263: ok 7166 263: ok 7167 263: ok 7168 263: ok 7169 263: ok 7170 263: ok 7171 263: ok 7172 263: ok 7173 263: ok 7174 263: ok 7175 263: ok 7176 263: ok 7177 263: ok 7178 263: ok 7179 263: ok 7180 263: ok 7181 263: ok 7182 263: ok 7183 263: ok 7184 263: ok 7185 263: ok 7186 263: ok 7187 263: ok 7188 263: ok 7189 263: ok 7190 263: ok 7191 263: ok 7192 263: ok 7193 263: ok 7194 263: ok 7195 263: ok 7196 263: ok 7197 263: ok 7198 263: ok 7199 263: ok 7200 263: ok 7201 263: ok 7202 263: ok 7203 263: ok 7204 263: ok 7205 263: ok 7206 263: ok 7207 263: ok 7208 263: ok 7209 263: ok 7210 263: ok 7211 263: ok 7212 263: ok 7213 263: ok 7214 263: ok 7215 263: ok 7216 263: ok 7217 263: ok 7218 263: ok 7219 263: ok 7220 263: ok 7221 263: ok 7222 263: ok 7223 263: ok 7224 263: ok 7225 263: ok 7226 263: ok 7227 263: ok 7228 263: ok 7229 263: ok 7230 263: ok 7231 263: ok 7232 263: ok 7233 263: ok 7234 263: ok 7235 263: ok 7236 263: ok 7237 263: ok 7238 263: ok 7239 263: ok 7240 263: ok 7241 263: ok 7242 263: ok 7243 263: ok 7244 263: ok 7245 263: ok 7246 263: ok 7247 263: ok 7248 263: ok 7249 263: ok 7250 263: ok 7251 263: ok 7252 263: ok 7253 263: ok 7254 263: ok 7255 263: ok 7256 263: ok 7257 263: ok 7258 263: ok 7259 263: ok 7260 263: ok 7261 263: ok 7262 263: ok 7263 263: ok 7264 263: ok 7265 263: ok 7266 263: ok 7267 263: ok 7268 263: ok 7269 263: ok 7270 263: ok 7271 263: ok 7272 263: ok 7273 263: ok 7274 263: ok 7275 263: ok 7276 263: ok 7277 263: ok 7278 263: ok 7279 263: ok 7280 263: ok 7281 263: ok 7282 263: ok 7283 263: ok 7284 263: ok 7285 263: ok 7286 263: ok 7287 263: ok 7288 263: ok 7289 263: ok 7290 263: ok 7291 263: ok 7292 263: ok 7293 263: ok 7294 263: ok 7295 263: ok 7296 263: ok 7297 263: ok 7298 263: ok 7299 263: ok 7300 263: ok 7301 263: ok 7302 263: ok 7303 263: ok 7304 263: ok 7305 263: ok 7306 263: ok 7307 263: ok 7308 263: ok 7309 263: ok 7310 263: ok 7311 263: ok 7312 263: ok 7313 263: ok 7314 263: ok 7315 263: ok 7316 263: ok 7317 263: ok 7318 263: ok 7319 263: ok 7320 263: ok 7321 263: ok 7322 263: ok 7323 263: ok 7324 263: ok 7325 263: ok 7326 263: ok 7327 263: ok 7328 263: ok 7329 263: ok 7330 263: ok 7331 263: ok 7332 263: ok 7333 263: ok 7334 263: ok 7335 263: ok 7336 263: ok 7337 263: ok 7338 263: ok 7339 263: ok 7340 263: ok 7341 263: ok 7342 263: ok 7343 263: ok 7344 263: ok 7345 263: ok 7346 263: ok 7347 263: ok 7348 263: ok 7349 263: ok 7350 263: ok 7351 263: ok 7352 263: ok 7353 263: ok 7354 263: ok 7355 263: ok 7356 263: ok 7357 263: ok 7358 263: ok 7359 263: ok 7360 263: ok 7361 263: ok 7362 263: ok 7363 263: ok 7364 263: ok 7365 263: ok 7366 263: ok 7367 263: ok 7368 263: ok 7369 263: ok 7370 263: ok 7371 263: ok 7372 263: ok 7373 263: ok 7374 263: ok 7375 263: ok 7376 263: ok 7377 263: ok 7378 263: ok 7379 263: ok 7380 263: ok 7381 263: ok 7382 263: ok 7383 263: ok 7384 263: ok 7385 263: ok 7386 263: ok 7387 263: ok 7388 263: ok 7389 263: ok 7390 263: ok 7391 263: ok 7392 263: ok 7393 263: ok 7394 263: ok 7395 263: ok 7396 263: ok 7397 263: ok 7398 263: ok 7399 263: ok 7400 263: ok 7401 263: ok 7402 263: ok 7403 263: ok 7404 263: ok 7405 263: ok 7406 263: ok 7407 263: ok 7408 263: ok 7409 263: ok 7410 263: ok 7411 263: ok 7412 263: ok 7413 263: ok 7414 263: ok 7415 263: ok 7416 263: ok 7417 263: ok 7418 263: ok 7419 263: ok 7420 263: ok 7421 263: ok 7422 263: ok 7423 263: ok 7424 263: ok 7425 263: ok 7426 263: ok 7427 263: ok 7428 263: ok 7429 263: ok 7430 263: ok 7431 263: ok 7432 263: ok 7433 263: ok 7434 263: ok 7435 263: ok 7436 263: ok 7437 263: ok 7438 263: ok 7439 263: ok 7440 263: ok 7441 263: ok 7442 263: ok 7443 263: ok 7444 263: ok 7445 263: ok 7446 263: ok 7447 263: ok 7448 263: ok 7449 263: ok 7450 263: ok 7451 263: ok 7452 263: ok 7453 263: ok 7454 263: ok 7455 263: ok 7456 263: ok 7457 263: ok 7458 263: ok 7459 263: ok 7460 263: ok 7461 263: ok 7462 263: ok 7463 263: ok 7464 263: ok 7465 263: ok 7466 263: ok 7467 263: ok 7468 263: ok 7469 263: ok 7470 263: ok 7471 263: ok 7472 263: ok 7473 263: ok 7474 263: ok 7475 263: ok 7476 263: ok 7477 263: ok 7478 263: ok 7479 263: ok 7480 263: ok 7481 263: ok 7482 263: ok 7483 263: ok 7484 263: ok 7485 263: ok 7486 263: ok 7487 263: ok 7488 263: ok 7489 263: ok 7490 263: ok 7491 263: ok 7492 263: ok 7493 263: ok 7494 263: ok 7495 263: ok 7496 263: ok 7497 263: ok 7498 263: ok 7499 263: ok 7500 263: ok 7501 263: ok 7502 263: ok 7503 263: ok 7504 263: ok 7505 263: ok 7506 263: ok 7507 263: ok 7508 263: ok 7509 263: ok 7510 263: ok 7511 263: ok 7512 263: ok 7513 263: ok 7514 263: ok 7515 263: ok 7516 263: ok 7517 263: ok 7518 263: ok 7519 263: ok 7520 263: ok 7521 263: ok 7522 263: ok 7523 263: ok 7524 263: ok 7525 263: ok 7526 263: ok 7527 263: ok 7528 263: ok 7529 263: ok 7530 263: ok 7531 263: ok 7532 263: ok 7533 263: ok 7534 263: ok 7535 263: ok 7536 263: ok 7537 263: ok 7538 263: ok 7539 263: ok 7540 263: ok 7541 263: ok 7542 263: ok 7543 263: ok 7544 263: ok 7545 263: ok 7546 263: ok 7547 263: ok 7548 263: ok 7549 263: ok 7550 263: ok 7551 263: ok 7552 263: ok 7553 263: ok 7554 263: ok 7555 263: ok 7556 263: ok 7557 263: ok 7558 263: ok 7559 263: ok 7560 263: ok 7561 263: ok 7562 263: ok 7563 263: ok 7564 263: ok 7565 263: ok 7566 263: ok 7567 263: ok 7568 263: ok 7569 263: ok 7570 263: ok 7571 263: ok 7572 263: ok 7573 263: ok 7574 263: ok 7575 263: ok 7576 263: ok 7577 263: ok 7578 263: ok 7579 263: ok 7580 263: ok 7581 263: ok 7582 263: ok 7583 263: ok 7584 263: ok 7585 263: ok 7586 263: ok 7587 263: ok 7588 263: ok 7589 263: ok 7590 263: ok 7591 263: ok 7592 263: ok 7593 263: ok 7594 263: ok 7595 263: ok 7596 263: ok 7597 263: ok 7598 263: ok 7599 263: ok 7600 263: ok 7601 263: ok 7602 263: ok 7603 263: ok 7604 263: ok 7605 263: ok 7606 263: ok 7607 263: ok 7608 263: ok 7609 263: ok 7610 263: ok 7611 263: ok 7612 263: ok 7613 263: ok 7614 263: ok 7615 263: ok 7616 263: ok 7617 263: ok 7618 263: ok 7619 263: ok 7620 263: ok 7621 263: ok 7622 263: ok 7623 263: ok 7624 263: ok 7625 263: ok 7626 263: ok 7627 263: ok 7628 263: ok 7629 263: ok 7630 263: ok 7631 263: ok 7632 263: ok 7633 263: ok 7634 263: ok 7635 263: ok 7636 263: ok 7637 263: ok 7638 263: ok 7639 263: ok 7640 263: ok 7641 263: ok 7642 263: ok 7643 263: ok 7644 263: ok 7645 263: ok 7646 263: ok 7647 263: ok 7648 263: ok 7649 263: ok 7650 263: ok 7651 263: ok 7652 263: ok 7653 263: ok 7654 263: ok 7655 263: ok 7656 263: ok 7657 263: ok 7658 263: ok 7659 263: ok 7660 263: ok 7661 263: ok 7662 263: ok 7663 263: ok 7664 263: ok 7665 263: ok 7666 263: ok 7667 263: ok 7668 263: ok 7669 263: ok 7670 263: ok 7671 263: ok 7672 263: ok 7673 263: ok 7674 263: ok 7675 263: ok 7676 263: ok 7677 263: ok 7678 263: ok 7679 263: ok 7680 263: ok 7681 263: ok 7682 263: ok 7683 263: ok 7684 263: ok 7685 263: ok 7686 263: ok 7687 263: ok 7688 263: ok 7689 263: ok 7690 263: ok 7691 263: ok 7692 263: ok 7693 263: ok 7694 263: ok 7695 263: ok 7696 263: ok 7697 263: ok 7698 263: ok 7699 263: ok 7700 263: ok 7701 263: ok 7702 263: ok 7703 263: ok 7704 263: ok 7705 263: ok 7706 263: ok 7707 263: ok 7708 263: ok 7709 263: ok 7710 263: ok 7711 263: ok 7712 263: ok 7713 263: ok 7714 263: ok 7715 263: ok 7716 263: ok 7717 263: ok 7718 263: ok 7719 263: ok 7720 263: ok 7721 263: ok 7722 263: ok 7723 263: ok 7724 263: ok 7725 263: ok 7726 263: ok 7727 263: ok 7728 263: ok 7729 263: ok 7730 263: ok 7731 263: ok 7732 263: ok 7733 263: ok 7734 263: ok 7735 263: ok 7736 263: ok 7737 263: ok 7738 263: ok 7739 263: ok 7740 263: ok 7741 263: ok 7742 263: ok 7743 263: ok 7744 263: ok 7745 263: ok 7746 263: ok 7747 263: ok 7748 263: ok 7749 263: ok 7750 263: ok 7751 263: ok 7752 263: ok 7753 263: ok 7754 263: ok 7755 263: ok 7756 263: ok 7757 263: ok 7758 263: ok 7759 263: ok 7760 263: ok 7761 263: ok 7762 263: ok 7763 263: ok 7764 263: ok 7765 263: ok 7766 263: ok 7767 263: ok 7768 263: ok 7769 263: ok 7770 263: ok 7771 263: ok 7772 263: ok 7773 263: ok 7774 263: ok 7775 263: ok 7776 263: ok 7777 263: ok 7778 263: ok 7779 263: ok 7780 263: ok 7781 263: ok 7782 263: ok 7783 263: ok 7784 263: ok 7785 263: ok 7786 263: ok 7787 263: ok 7788 263: ok 7789 263: ok 7790 263: ok 7791 263: ok 7792 263: ok 7793 263: ok 7794 263: ok 7795 263: ok 7796 263: ok 7797 263: ok 7798 263: ok 7799 263: ok 7800 263: ok 7801 263: ok 7802 263: ok 7803 263: ok 7804 263: ok 7805 263: ok 7806 263: ok 7807 263: ok 7808 263: ok 7809 263: ok 7810 263: ok 7811 263: ok 7812 263: ok 7813 263: ok 7814 263: ok 7815 263: ok 7816 263: ok 7817 263: ok 7818 263: ok 7819 263: ok 7820 263: ok 7821 263: ok 7822 263: ok 7823 263: ok 7824 263: ok 7825 263: ok 7826 263: ok 7827 263: ok 7828 263: ok 7829 263: ok 7830 263: ok 7831 263: ok 7832 263: ok 7833 263: ok 7834 263: ok 7835 263: ok 7836 263: ok 7837 263: ok 7838 263: ok 7839 263: ok 7840 263: ok 7841 263: ok 7842 263: ok 7843 263: ok 7844 263: ok 7845 263: ok 7846 263: ok 7847 263: ok 7848 263: ok 7849 263: ok 7850 263: ok 7851 263: ok 7852 263: ok 7853 263: ok 7854 263: ok 7855 263: ok 7856 263: ok 7857 263: ok 7858 263: ok 7859 263: ok 7860 263: ok 7861 263: ok 7862 263: ok 7863 263: ok 7864 263: ok 7865 263: ok 7866 263: ok 7867 263: ok 7868 263: ok 7869 263: ok 7870 263: ok 7871 263: ok 7872 263: ok 7873 263: ok 7874 263: ok 7875 263: ok 7876 263: ok 7877 263: ok 7878 263: ok 7879 263: ok 7880 263: ok 7881 263: ok 7882 263: ok 7883 263: ok 7884 263: ok 7885 263: ok 7886 263: ok 7887 263: ok 7888 263: ok 7889 263: ok 7890 263: ok 7891 263: ok 7892 263: ok 7893 263: ok 7894 263: ok 7895 263: ok 7896 263: ok 7897 263: ok 7898 263: ok 7899 263: ok 7900 263: ok 7901 263: ok 7902 263: ok 7903 263: ok 7904 263: ok 7905 263: ok 7906 263: ok 7907 263: ok 7908 263: ok 7909 263: ok 7910 263: ok 7911 263: ok 7912 263: ok 7913 263: ok 7914 263: ok 7915 263: ok 7916 263: ok 7917 263: ok 7918 263: ok 7919 263: ok 7920 263: ok 7921 263: ok 7922 263: ok 7923 263: ok 7924 263: ok 7925 263: ok 7926 263: ok 7927 263: ok 7928 263: ok 7929 263: ok 7930 263: ok 7931 263: ok 7932 263: ok 7933 263: ok 7934 263: ok 7935 263: ok 7936 263: ok 7937 263: ok 7938 263: ok 7939 263: ok 7940 263: ok 7941 263: ok 7942 263: ok 7943 263: ok 7944 263: ok 7945 263: ok 7946 263: ok 7947 263: ok 7948 263: ok 7949 263: ok 7950 263: ok 7951 263: ok 7952 263: ok 7953 263: ok 7954 263: ok 7955 263: ok 7956 263: ok 7957 263: ok 7958 263: ok 7959 263: ok 7960 263: ok 7961 263: ok 7962 263: ok 7963 263: ok 7964 263: ok 7965 263: ok 7966 263: ok 7967 263: ok 7968 263: ok 7969 263: ok 7970 263: ok 7971 263: ok 7972 263: ok 7973 263: ok 7974 263: ok 7975 263: ok 7976 263: ok 7977 263: ok 7978 263: ok 7979 263: ok 7980 263: ok 7981 263: ok 7982 263: ok 7983 263: ok 7984 263: ok 7985 263: ok 7986 263: ok 7987 263: ok 7988 263: ok 7989 263: ok 7990 263: ok 7991 263: ok 7992 263: ok 7993 263: ok 7994 263: ok 7995 263: ok 7996 263: ok 7997 263: ok 7998 263: ok 7999 263: ok 8000 263: ok 8001 263: ok 8002 263: ok 8003 263: ok 8004 263: ok 8005 263: ok 8006 263: ok 8007 263: ok 8008 263: ok 8009 263: ok 8010 263: ok 8011 263: ok 8012 263: ok 8013 263: ok 8014 263: ok 8015 263: ok 8016 263: ok 8017 263: ok 8018 263: ok 8019 263: ok 8020 263: ok 8021 263: ok 8022 263: ok 8023 263: ok 8024 263: ok 8025 263: ok 8026 263: ok 8027 263: ok 8028 263: ok 8029 263: ok 8030 263: ok 8031 263: ok 8032 263: ok 8033 263: ok 8034 263: ok 8035 263: ok 8036 263: ok 8037 263: ok 8038 263: ok 8039 263: ok 8040 263: ok 8041 263: ok 8042 263: ok 8043 263: ok 8044 263: ok 8045 263: ok 8046 263: ok 8047 263: ok 8048 263: ok 8049 263: ok 8050 263: ok 8051 263: ok 8052 263: ok 8053 263: ok 8054 263: ok 8055 263: ok 8056 263: ok 8057 263: ok 8058 263: ok 8059 263: ok 8060 263: ok 8061 263: ok 8062 263: ok 8063 263: ok 8064 263: ok 8065 263: ok 8066 263: ok 8067 263: ok 8068 263: ok 8069 263: ok 8070 263: ok 8071 263: ok 8072 263: ok 8073 263: ok 8074 263: ok 8075 263: ok 8076 263: ok 8077 263: ok 8078 263: ok 8079 263: ok 8080 263: ok 8081 263: ok 8082 263: ok 8083 263: ok 8084 263: ok 8085 263: ok 8086 263: ok 8087 263: ok 8088 263: ok 8089 263: ok 8090 263: ok 8091 263: ok 8092 263: ok 8093 263: ok 8094 263: ok 8095 263: ok 8096 263: ok 8097 263: ok 8098 263: ok 8099 263: ok 8100 263: ok 8101 263: ok 8102 263: ok 8103 263: ok 8104 263: ok 8105 263: ok 8106 263: ok 8107 263: ok 8108 263: ok 8109 263: ok 8110 263: ok 8111 263: ok 8112 263: ok 8113 263: ok 8114 263: ok 8115 263: ok 8116 263: ok 8117 263: ok 8118 263: ok 8119 263: ok 8120 263: ok 8121 263: ok 8122 263: ok 8123 263: ok 8124 263: ok 8125 263: ok 8126 263: ok 8127 263: ok 8128 263: ok 8129 263: ok 8130 263: ok 8131 263: ok 8132 263: ok 8133 263: ok 8134 263: ok 8135 263: ok 8136 263: ok 8137 263: ok 8138 263: ok 8139 263: ok 8140 263: ok 8141 263: ok 8142 263: ok 8143 263: ok 8144 263: ok 8145 263: ok 8146 263: ok 8147 263: ok 8148 263: ok 8149 263: ok 8150 263: ok 8151 263: ok 8152 263: ok 8153 263: ok 8154 263: ok 8155 263: ok 8156 263: ok 8157 263: ok 8158 263: ok 8159 263: ok 8160 263: ok 8161 263: ok 8162 263: ok 8163 263: ok 8164 263: ok 8165 263: ok 8166 263: ok 8167 263: ok 8168 263: ok 8169 263: ok 8170 263: ok 8171 263: ok 8172 263: ok 8173 263: ok 8174 263: ok 8175 263: ok 8176 263: ok 8177 263: ok 8178 263: ok 8179 263: ok 8180 263: ok 8181 263: ok 8182 263: ok 8183 263: ok 8184 263: ok 8185 263: ok 8186 263: ok 8187 263: ok 8188 263: ok 8189 263: ok 8190 263: ok 8191 263: ok 8192 263: ok 8193 263: ok 8194 263: ok 8195 263: ok 8196 263: ok 8197 263: ok 8198 263: ok 8199 263: ok 8200 263: ok 8201 263: ok 8202 263: ok 8203 263: ok 8204 263: ok 8205 263: ok 8206 263: ok 8207 263: ok 8208 263: ok 8209 263: ok 8210 263: ok 8211 263: ok 8212 263: ok 8213 263: ok 8214 263: ok 8215 263: ok 8216 263: ok 8217 263: ok 8218 263: ok 8219 263: ok 8220 263: ok 8221 263: ok 8222 263: ok 8223 263: ok 8224 263: ok 8225 263: ok 8226 263: ok 8227 263: ok 8228 263: ok 8229 263: ok 8230 263: ok 8231 263: ok 8232 263: ok 8233 263: ok 8234 263: ok 8235 263: ok 8236 263: ok 8237 263: ok 8238 263: ok 8239 263: ok 8240 263: ok 8241 263: ok 8242 263: ok 8243 263: ok 8244 263: ok 8245 263: ok 8246 263: ok 8247 263: ok 8248 263: ok 8249 263: ok 8250 263: ok 8251 263: ok 8252 263: ok 8253 263: ok 8254 263: ok 8255 263: ok 8256 263: ok 8257 263: ok 8258 263: ok 8259 263: ok 8260 263: ok 8261 263: ok 8262 263: ok 8263 263: ok 8264 263: ok 8265 263: ok 8266 263: ok 8267 263: ok 8268 263: ok 8269 263: ok 8270 263: ok 8271 263: ok 8272 263: ok 8273 263: ok 8274 263: ok 8275 263: ok 8276 263: ok 8277 263: ok 8278 263: ok 8279 263: ok 8280 263: ok 8281 263: ok 8282 263: ok 8283 263: ok 8284 263: ok 8285 263: ok 8286 263: ok 8287 263: ok 8288 263: ok 8289 263: ok 8290 263: ok 8291 263: ok 8292 263: ok 8293 263: ok 8294 263: ok 8295 263: ok 8296 263: ok 8297 263: ok 8298 263: ok 8299 263: ok 8300 263: ok 8301 263: ok 8302 263: ok 8303 263: ok 8304 263: ok 8305 263: ok 8306 263: ok 8307 263: ok 8308 263: ok 8309 263: ok 8310 263: ok 8311 263: ok 8312 263: ok 8313 263: ok 8314 263: ok 8315 263: ok 8316 263: ok 8317 263: ok 8318 263: ok 8319 263: ok 8320 263: ok 8321 263: ok 8322 263: ok 8323 263: ok 8324 263: ok 8325 263: ok 8326 263: ok 8327 263: ok 8328 263: ok 8329 263: ok 8330 263: ok 8331 263: ok 8332 263: ok 8333 263: ok 8334 263: ok 8335 263: ok 8336 263: ok 8337 263: ok 8338 263: ok 8339 263: ok 8340 263: ok 8341 263: ok 8342 263: ok 8343 263: ok 8344 263: ok 8345 263: ok 8346 263: ok 8347 263: ok 8348 263: ok 8349 263: ok 8350 263: ok 8351 263: ok 8352 263: ok 8353 263: ok 8354 263: ok 8355 263: ok 8356 263: ok 8357 263: ok 8358 263: ok 8359 263: ok 8360 263: ok 8361 263: ok 8362 263: ok 8363 263: ok 8364 263: ok 8365 263: ok 8366 263: ok 8367 263: ok 8368 263: ok 8369 263: ok 8370 263: ok 8371 263: ok 8372 263: ok 8373 263: ok 8374 263: ok 8375 263: ok 8376 263: ok 8377 263: ok 8378 263: ok 8379 263: ok 8380 263: ok 8381 263: ok 8382 263: ok 8383 263: ok 8384 263: ok 8385 263: ok 8386 263: ok 8387 263: ok 8388 263: ok 8389 263: ok 8390 263: ok 8391 263: ok 8392 263: ok 8393 263: ok 8394 263: ok 8395 263: ok 8396 263: ok 8397 263: ok 8398 263: ok 8399 263: ok 8400 263: ok 8401 263: ok 8402 263: ok 8403 263: ok 8404 263: ok 8405 263: ok 8406 263: ok 8407 263: ok 8408 263: ok 8409 263: ok 8410 263: ok 8411 263: ok 8412 263: ok 8413 263: ok 8414 263: ok 8415 263: ok 8416 263: ok 8417 263: ok 8418 263: ok 8419 263: ok 8420 263: ok 8421 263: ok 8422 263: ok 8423 263: ok 8424 263: ok 8425 263: ok 8426 263: ok 8427 263: ok 8428 263: ok 8429 263: ok 8430 263: ok 8431 263: ok 8432 263: ok 8433 263: ok 8434 263: ok 8435 263: ok 8436 263: ok 8437 263: ok 8438 263: ok 8439 263: ok 8440 263: ok 8441 263: ok 8442 263: ok 8443 263: ok 8444 263: ok 8445 263: ok 8446 263: ok 8447 263: ok 8448 263: ok 8449 263: ok 8450 263: ok 8451 263: ok 8452 263: ok 8453 263: ok 8454 263: ok 8455 263: ok 8456 263: ok 8457 263: ok 8458 263: ok 8459 263: ok 8460 263: ok 8461 263: ok 8462 263: ok 8463 263: ok 8464 263: ok 8465 263: ok 8466 263: ok 8467 263: ok 8468 263: ok 8469 263: ok 8470 263: ok 8471 263: ok 8472 263: ok 8473 263: ok 8474 263: ok 8475 263: ok 8476 263: ok 8477 263: ok 8478 263: ok 8479 263: ok 8480 263: ok 8481 263: ok 8482 263: ok 8483 263: ok 8484 263: ok 8485 263: ok 8486 263: ok 8487 263: ok 8488 263: ok 8489 263: ok 8490 263: ok 8491 263: ok 8492 263: ok 8493 263: ok 8494 263: ok 8495 263: ok 8496 263: ok 8497 263: ok 8498 263: ok 8499 263: ok 8500 263: ok 8501 263: ok 8502 263: ok 8503 263: ok 8504 263: ok 8505 263: ok 8506 263: ok 8507 263: ok 8508 263: ok 8509 263: ok 8510 263: ok 8511 263: ok 8512 263: ok 8513 263: ok 8514 263: ok 8515 263: ok 8516 263: ok 8517 263: ok 8518 263: ok 8519 263: ok 8520 263: ok 8521 263: ok 8522 263: ok 8523 263: ok 8524 263: ok 8525 263: ok 8526 263: ok 8527 263: ok 8528 263: ok 8529 263: ok 8530 263: ok 8531 263: ok 8532 263: ok 8533 263: ok 8534 263: ok 8535 263: ok 8536 263: ok 8537 263: ok 8538 263: ok 8539 263: ok 8540 263: ok 8541 263: ok 8542 263: ok 8543 263: ok 8544 263: ok 8545 263: ok 8546 263: ok 8547 263: ok 8548 263: ok 8549 263: ok 8550 263: ok 8551 263: ok 8552 263: ok 8553 263: ok 8554 263: ok 8555 263: ok 8556 263: ok 8557 263: ok 8558 263: ok 8559 263: ok 8560 263: ok 8561 263: ok 8562 263: ok 8563 263: ok 8564 263: ok 8565 263: ok 8566 263: ok 8567 263: ok 8568 263: ok 8569 263: ok 8570 263: ok 8571 263: ok 8572 263: ok 8573 263: ok 8574 263: ok 8575 263: ok 8576 263: ok 8577 263: ok 8578 263: ok 8579 263: ok 8580 263: ok 8581 263: ok 8582 263: ok 8583 263: ok 8584 263: ok 8585 263: ok 8586 263: ok 8587 263: ok 8588 263: ok 8589 263: ok 8590 263: ok 8591 263: ok 8592 263: ok 8593 263: ok 8594 263: ok 8595 263: ok 8596 263: ok 8597 263: ok 8598 263: ok 8599 263: ok 8600 263: ok 8601 263: ok 8602 263: ok 8603 263: ok 8604 263: ok 8605 263: ok 8606 263: ok 8607 263: ok 8608 263: ok 8609 263: ok 8610 263: ok 8611 263: ok 8612 263: ok 8613 263: ok 8614 263: ok 8615 263: ok 8616 263: ok 8617 263: ok 8618 263: ok 8619 263: ok 8620 263: ok 8621 263: ok 8622 263: ok 8623 263: ok 8624 263: ok 8625 263: ok 8626 263: ok 8627 263: ok 8628 263: ok 8629 263: ok 8630 263: ok 8631 263: ok 8632 263: ok 8633 263: ok 8634 263: ok 8635 263: ok 8636 263: ok 8637 263: ok 8638 263: ok 8639 263: ok 8640 263: ok 8641 263: ok 8642 263: ok 8643 263: ok 8644 263: ok 8645 263: ok 8646 263: ok 8647 263: ok 8648 263: ok 8649 263: ok 8650 263: ok 8651 263: ok 8652 263: ok 8653 263: ok 8654 263: ok 8655 263: ok 8656 263: ok 8657 263: ok 8658 263: ok 8659 263: ok 8660 263: ok 8661 263: ok 8662 263: ok 8663 263: ok 8664 263: ok 8665 263: ok 8666 263: ok 8667 263: ok 8668 263: ok 8669 263: ok 8670 263: ok 8671 263: ok 8672 263: ok 8673 263: ok 8674 263: ok 8675 263: ok 8676 263: ok 8677 263: ok 8678 263: ok 8679 263: ok 8680 263: ok 8681 263: ok 8682 263: ok 8683 263: ok 8684 263: ok 8685 263: ok 8686 263: ok 8687 263: ok 8688 263: ok 8689 263: ok 8690 263: ok 8691 263: ok 8692 263: ok 8693 263: ok 8694 263: ok 8695 263: ok 8696 263: ok 8697 263: ok 8698 263: ok 8699 263: ok 8700 263: ok 8701 263: ok 8702 263: ok 8703 263: ok 8704 263: ok 8705 263: ok 8706 263: ok 8707 263: ok 8708 263: ok 8709 263: ok 8710 263: ok 8711 263: ok 8712 263: ok 8713 263: ok 8714 263: ok 8715 263: ok 8716 263: ok 8717 263: ok 8718 263: ok 8719 263: ok 8720 263: ok 8721 263: ok 8722 263: ok 8723 263: ok 8724 263: ok 8725 263: ok 8726 263: ok 8727 263: ok 8728 263: ok 8729 263: ok 8730 263: ok 8731 263: ok 8732 263: ok 8733 263: ok 8734 263: ok 8735 263: ok 8736 263: ok 8737 263: ok 8738 263: ok 8739 263: ok 8740 263: ok 8741 263: ok 8742 263: ok 8743 263: ok 8744 263: ok 8745 263: ok 8746 263: ok 8747 263: ok 8748 263: ok 8749 263: ok 8750 263: ok 8751 263: ok 8752 263: ok 8753 263: ok 8754 263: ok 8755 263: ok 8756 263: ok 8757 263: ok 8758 263: ok 8759 263: ok 8760 263: ok 8761 263: ok 8762 263: ok 8763 263: ok 8764 263: ok 8765 263: ok 8766 263: ok 8767 263: ok 8768 263: ok 8769 263: ok 8770 263: ok 8771 263: ok 8772 263: ok 8773 263: ok 8774 263: ok 8775 263: ok 8776 263: ok 8777 263: ok 8778 263: ok 8779 263: ok 8780 263: ok 8781 263: ok 8782 263: ok 8783 263: ok 8784 263: ok 8785 263: ok 8786 263: ok 8787 263: ok 8788 263: ok 8789 263: ok 8790 263: ok 8791 263: ok 8792 263: ok 8793 263: ok 8794 263: ok 8795 263: ok 8796 263: ok 8797 263: ok 8798 263: ok 8799 263: ok 8800 263: ok 8801 263: ok 8802 263: ok 8803 263: ok 8804 263: ok 8805 263: ok 8806 263: ok 8807 263: ok 8808 263: ok 8809 263: ok 8810 263: ok 8811 263: ok 8812 263: ok 8813 263: ok 8814 263: ok 8815 263: ok 8816 263: ok 8817 263: ok 8818 263: ok 8819 263: ok 8820 263: ok 8821 263: ok 8822 263: ok 8823 263: ok 8824 263: ok 8825 263: ok 8826 263: ok 8827 263: ok 8828 263: ok 8829 263: ok 8830 263: ok 8831 263: ok 8832 263: ok 8833 263: ok 8834 263: ok 8835 263: ok 8836 263: ok 8837 263: ok 8838 263: ok 8839 263: ok 8840 263: ok 8841 263: ok 8842 263: ok 8843 263: ok 8844 263: ok 8845 263: ok 8846 263: ok 8847 263: ok 8848 263: ok 8849 263: ok 8850 263: ok 8851 263: ok 8852 263: ok 8853 263: ok 8854 263: ok 8855 263: ok 8856 263: ok 8857 263: ok 8858 263: ok 8859 263: ok 8860 263: ok 8861 263: ok 8862 263: ok 8863 263: ok 8864 263: ok 8865 263: ok 8866 263: ok 8867 263: ok 8868 263: ok 8869 263: ok 8870 263: ok 8871 263: ok 8872 263: ok 8873 263: ok 8874 263: ok 8875 263: ok 8876 263: ok 8877 263: ok 8878 263: ok 8879 263: ok 8880 263: ok 8881 263: ok 8882 263: ok 8883 263: ok 8884 263: ok 8885 263: ok 8886 263: ok 8887 263: ok 8888 263: ok 8889 263: ok 8890 263: ok 8891 263: ok 8892 263: ok 8893 263: ok 8894 263: ok 8895 263: ok 8896 263: ok 8897 263: ok 8898 263: ok 8899 263: ok 8900 263: ok 8901 263: ok 8902 263: ok 8903 263: ok 8904 263: ok 8905 263: ok 8906 263: ok 8907 263: ok 8908 263: ok 8909 263: ok 8910 263: ok 8911 263: ok 8912 263: ok 8913 263: ok 8914 263: ok 8915 263: ok 8916 263: ok 8917 263: ok 8918 263: ok 8919 263: ok 8920 263: ok 8921 263: ok 8922 263: ok 8923 263: ok 8924 263: ok 8925 263: ok 8926 263: ok 8927 263: ok 8928 263: ok 8929 263: ok 8930 263: ok 8931 263: ok 8932 263: ok 8933 263: ok 8934 263: ok 8935 263: ok 8936 263: ok 8937 263: ok 8938 263: ok 8939 263: ok 8940 263: ok 8941 263: ok 8942 263: ok 8943 263: ok 8944 263: ok 8945 263: ok 8946 263: ok 8947 263: ok 8948 263: ok 8949 263: ok 8950 263: ok 8951 263: ok 8952 263: ok 8953 263: ok 8954 263: ok 8955 263: ok 8956 263: ok 8957 263: ok 8958 263: ok 8959 263: ok 8960 263: ok 8961 263: ok 8962 263: ok 8963 263: ok 8964 263: ok 8965 263: ok 8966 263: ok 8967 263: ok 8968 263: ok 8969 263: ok 8970 263: ok 8971 263: ok 8972 263: ok 8973 263: ok 8974 263: ok 8975 263: ok 8976 263: ok 8977 263: ok 8978 263: ok 8979 263: ok 8980 263: ok 8981 263: ok 8982 263: ok 8983 263: ok 8984 263: ok 8985 263: ok 8986 263: ok 8987 263: ok 8988 263: ok 8989 263: ok 8990 263: ok 8991 263: ok 8992 263: ok 8993 263: ok 8994 263: ok 8995 263: ok 8996 263: ok 8997 263: ok 8998 263: ok 8999 263: ok 9000 263: ok 9001 263: ok 9002 263: ok 9003 263: ok 9004 263: ok 9005 263: ok 9006 263: ok 9007 263: ok 9008 263: ok 9009 263: ok 9010 263: ok 9011 263: ok 9012 263: ok 9013 263: ok 9014 263: ok 9015 263: ok 9016 263: ok 9017 263: ok 9018 263: ok 9019 263: ok 9020 263: ok 9021 263: ok 9022 263: ok 9023 263: ok 9024 263: ok 9025 263: ok 9026 263: ok 9027 263: ok 9028 263: ok 9029 263: ok 9030 263: ok 9031 263: ok 9032 263: ok 9033 263: ok 9034 263: ok 9035 263: ok 9036 263: ok 9037 263: ok 9038 263: ok 9039 263: ok 9040 263: ok 9041 263: ok 9042 263: ok 9043 263: ok 9044 263: ok 9045 263: ok 9046 263: ok 9047 263: ok 9048 263: ok 9049 263: ok 9050 263: ok 9051 263: ok 9052 263: ok 9053 263: ok 9054 263: ok 9055 263: ok 9056 263: ok 9057 263: ok 9058 263: ok 9059 263: ok 9060 263: ok 9061 263: ok 9062 263: ok 9063 263: ok 9064 263: ok 9065 263: ok 9066 263: ok 9067 263: ok 9068 263: ok 9069 263: ok 9070 263: ok 9071 263: ok 9072 263: ok 9073 263: ok 9074 263: ok 9075 263: ok 9076 263: ok 9077 263: ok 9078 263: ok 9079 263: ok 9080 263: ok 9081 263: ok 9082 263: ok 9083 263: ok 9084 263: ok 9085 263: ok 9086 263: ok 9087 263: ok 9088 263: ok 9089 263: ok 9090 263: ok 9091 263: ok 9092 263: ok 9093 263: ok 9094 263: ok 9095 263: ok 9096 263: ok 9097 263: ok 9098 263: ok 9099 263: ok 9100 263: ok 9101 263: ok 9102 263: ok 9103 263: ok 9104 263: ok 9105 263: ok 9106 263: ok 9107 263: ok 9108 263: ok 9109 263: ok 9110 263: ok 9111 263: ok 9112 263: ok 9113 263: ok 9114 263: ok 9115 263: ok 9116 263: ok 9117 263: ok 9118 263: ok 9119 263: ok 9120 263: ok 9121 263: ok 9122 263: ok 9123 263: ok 9124 263: ok 9125 263: ok 9126 263: ok 9127 263: ok 9128 263: ok 9129 263: ok 9130 263: ok 9131 263: ok 9132 263: ok 9133 263: ok 9134 263: ok 9135 263: ok 9136 263: ok 9137 263: ok 9138 263: ok 9139 263: ok 9140 263: ok 9141 263: ok 9142 263: ok 9143 263: ok 9144 263: ok 9145 263: ok 9146 263: ok 9147 263: ok 9148 263: ok 9149 263: ok 9150 263: ok 9151 263: ok 9152 263: ok 9153 263: ok 9154 263: ok 9155 263: ok 9156 263: ok 9157 263: ok 9158 263: ok 9159 263: ok 9160 263: ok 9161 263: ok 9162 263: ok 9163 263: ok 9164 263: ok 9165 263: ok 9166 263: ok 9167 263: ok 9168 263: ok 9169 263: ok 9170 263: ok 9171 263: ok 9172 263: ok 9173 263: ok 9174 263: ok 9175 263: ok 9176 263: ok 9177 263: ok 9178 263: ok 9179 263: ok 9180 263: ok 9181 263: ok 9182 263: ok 9183 263: ok 9184 263: ok 9185 263: ok 9186 263: ok 9187 263: ok 9188 263: ok 9189 263: ok 9190 263: ok 9191 263: ok 9192 263: ok 9193 263: ok 9194 263: ok 9195 263: ok 9196 263: ok 9197 263: ok 9198 263: ok 9199 263: ok 9200 263: ok 9201 263: ok 9202 263: ok 9203 263: ok 9204 263: ok 9205 263: ok 9206 263: ok 9207 263: ok 9208 263: ok 9209 263: ok 9210 263: ok 9211 263: ok 9212 263: ok 9213 263: ok 9214 263: ok 9215 263: ok 9216 263: ok 9217 263: ok 9218 263: ok 9219 263: ok 9220 263: ok 9221 263: ok 9222 263: ok 9223 263: ok 9224 263: ok 9225 263: ok 9226 263: ok 9227 263: ok 9228 263: ok 9229 263: ok 9230 263: ok 9231 263: ok 9232 263: ok 9233 263: ok 9234 263: ok 9235 263: ok 9236 263: ok 9237 263: ok 9238 263: ok 9239 263: ok 9240 263: ok 9241 263: ok 9242 263: ok 9243 263: ok 9244 263: ok 9245 263: ok 9246 263: ok 9247 263: ok 9248 263: ok 9249 263: ok 9250 263: ok 9251 263: ok 9252 263: ok 9253 263: ok 9254 263: ok 9255 263: ok 9256 263: ok 9257 263: ok 9258 263: ok 9259 263: ok 9260 263: ok 9261 263: ok 9262 263: ok 9263 263: ok 9264 263: ok 9265 263: ok 9266 263: ok 9267 263: ok 9268 263: ok 9269 263: ok 9270 263: ok 9271 263: ok 9272 263: ok 9273 263: ok 9274 263: ok 9275 263: ok 9276 263: ok 9277 263: ok 9278 263: ok 9279 263: ok 9280 263: ok 9281 263: ok 9282 263: ok 9283 263: ok 9284 263: ok 9285 263: ok 9286 263: ok 9287 263: ok 9288 263: ok 9289 263: ok 9290 263: ok 9291 263: ok 9292 263: ok 9293 263: ok 9294 263: ok 9295 263: ok 9296 263: ok 9297 263: ok 9298 263: ok 9299 263: ok 9300 263: ok 9301 263: ok 9302 263: ok 9303 263: ok 9304 263: ok 9305 263: ok 9306 263: ok 9307 263: ok 9308 263: ok 9309 263: ok 9310 263: ok 9311 263: ok 9312 263: ok 9313 263: ok 9314 263: ok 9315 263: ok 9316 263: ok 9317 263: ok 9318 263: ok 9319 263: ok 9320 263: ok 9321 263: ok 9322 263: ok 9323 263: ok 9324 263: ok 9325 263: ok 9326 263: ok 9327 263: ok 9328 263: ok 9329 263: ok 9330 263: ok 9331 263: ok 9332 263: ok 9333 263: ok 9334 263: ok 9335 263: ok 9336 263: ok 9337 263: ok 9338 263: ok 9339 263: ok 9340 263: ok 9341 263: ok 9342 263: ok 9343 263: ok 9344 263: ok 9345 263: ok 9346 263: ok 9347 263: ok 9348 263: ok 9349 263: ok 9350 263: ok 9351 263: ok 9352 263: ok 9353 263: ok 9354 263: ok 9355 263: ok 9356 263: ok 9357 263: ok 9358 263: ok 9359 263: ok 9360 263: ok 9361 263: ok 9362 263: ok 9363 263: ok 9364 263: ok 9365 263: ok 9366 263: ok 9367 263: ok 9368 263: ok 9369 263: ok 9370 263: ok 9371 263: ok 9372 263: ok 9373 263: ok 9374 263: ok 9375 263: ok 9376 263: ok 9377 263: ok 9378 263: ok 9379 263: ok 9380 263: ok 9381 263: ok 9382 263: ok 9383 263: ok 9384 263: ok 9385 263: ok 9386 263: ok 9387 263: ok 9388 263: ok 9389 263: ok 9390 263: ok 9391 263: ok 9392 263: ok 9393 263: ok 9394 263: ok 9395 263: ok 9396 263: ok 9397 263: ok 9398 263: ok 9399 263: ok 9400 263: ok 9401 263: ok 9402 263: ok 9403 263: ok 9404 263: ok 9405 263: ok 9406 263: ok 9407 263: ok 9408 263: ok 9409 263: ok 9410 263: ok 9411 263: ok 9412 263: ok 9413 263: ok 9414 263: ok 9415 263: ok 9416 263: ok 9417 263: ok 9418 263: ok 9419 263: ok 9420 263: ok 9421 263: ok 9422 263: ok 9423 263: ok 9424 263: ok 9425 263: ok 9426 263: ok 9427 263: ok 9428 263: ok 9429 263: ok 9430 263: ok 9431 263: ok 9432 263: ok 9433 263: ok 9434 263: ok 9435 263: ok 9436 263: ok 9437 263: ok 9438 263: ok 9439 263: ok 9440 263: ok 9441 263: ok 9442 263: ok 9443 263: ok 9444 263: ok 9445 263: ok 9446 263: ok 9447 263: ok 9448 263: ok 9449 263: ok 9450 263: ok 9451 263: ok 9452 263: ok 9453 263: ok 9454 263: ok 9455 263: ok 9456 263: ok 9457 263: ok 9458 263: ok 9459 263: ok 9460 263: ok 9461 263: ok 9462 263: ok 9463 263: ok 9464 263: ok 9465 263: ok 9466 263: ok 9467 263: ok 9468 263: ok 9469 263: ok 9470 263: ok 9471 263: ok 9472 263: ok 9473 263: ok 9474 263: ok 9475 263: ok 9476 263: ok 9477 263: ok 9478 263: ok 9479 263: ok 9480 263: ok 9481 263: ok 9482 263: ok 9483 263: ok 9484 263: ok 9485 263: ok 9486 263: ok 9487 263: ok 9488 263: ok 9489 263: ok 9490 263: ok 9491 263: ok 9492 263: ok 9493 263: ok 9494 263: ok 9495 263: ok 9496 263: ok 9497 263: ok 9498 263: ok 9499 263: ok 9500 263: ok 9501 263: ok 9502 263: ok 9503 263: ok 9504 263: ok 9505 263: ok 9506 263: ok 9507 263: ok 9508 263: ok 9509 263: ok 9510 263: ok 9511 263: ok 9512 263: ok 9513 263: ok 9514 263: ok 9515 263: ok 9516 263: ok 9517 263: ok 9518 263: ok 9519 263: ok 9520 263: ok 9521 263: ok 9522 263: ok 9523 263: ok 9524 263: ok 9525 263: ok 9526 263: ok 9527 263: ok 9528 263: ok 9529 263: ok 9530 263: ok 9531 263: ok 9532 263: ok 9533 263: ok 9534 263: ok 9535 263: ok 9536 263: ok 9537 263: ok 9538 263: ok 9539 263: ok 9540 263: ok 9541 263: ok 9542 263: ok 9543 263: ok 9544 263: ok 9545 263: ok 9546 263: ok 9547 263: ok 9548 263: ok 9549 263: ok 9550 263: ok 9551 263: ok 9552 263: ok 9553 263: ok 9554 263: ok 9555 263: ok 9556 263: ok 9557 263: ok 9558 263: ok 9559 263: ok 9560 263: ok 9561 263: ok 9562 263: ok 9563 263: ok 9564 263: ok 9565 263: ok 9566 263: ok 9567 263: ok 9568 263: ok 9569 263: ok 9570 263: ok 9571 263: ok 9572 263: ok 9573 263: ok 9574 263: ok 9575 263: ok 9576 263: ok 9577 263: ok 9578 263: ok 9579 263: ok 9580 263: ok 9581 263: ok 9582 263: ok 9583 263: ok 9584 263: ok 9585 263: ok 9586 263: ok 9587 263: ok 9588 263: ok 9589 263: ok 9590 263: ok 9591 263: ok 9592 263: ok 9593 263: ok 9594 263: ok 9595 263: ok 9596 263: ok 9597 263: ok 9598 263: ok 9599 263: ok 9600 263: ok 9601 263: ok 9602 263: ok 9603 263: ok 9604 263: ok 9605 263: ok 9606 263: ok 9607 263: ok 9608 263: ok 9609 263: ok 9610 263: ok 9611 263: ok 9612 263: ok 9613 263: ok 9614 263: ok 9615 263: ok 9616 263: ok 9617 263: ok 9618 263: ok 9619 263: ok 9620 263: ok 9621 263: ok 9622 263: ok 9623 263: ok 9624 263: ok 9625 263: ok 9626 263: ok 9627 263: ok 9628 263: ok 9629 263: ok 9630 263: ok 9631 263: ok 9632 263: ok 9633 263: ok 9634 263: ok 9635 263: ok 9636 263: ok 9637 263: ok 9638 263: ok 9639 263: ok 9640 263: ok 9641 263: ok 9642 263: ok 9643 263: ok 9644 263: ok 9645 263: ok 9646 263: ok 9647 263: ok 9648 263: ok 9649 263: ok 9650 263: ok 9651 263: ok 9652 263: ok 9653 263: ok 9654 263: ok 9655 263: ok 9656 263: ok 9657 263: ok 9658 263: ok 9659 263: ok 9660 263: ok 9661 263: ok 9662 263: ok 9663 263: ok 9664 263: ok 9665 263: ok 9666 263: ok 9667 263: ok 9668 263: ok 9669 263: ok 9670 263: ok 9671 263: ok 9672 263: ok 9673 263: ok 9674 263: ok 9675 263: ok 9676 263: ok 9677 263: ok 9678 263: ok 9679 263: ok 9680 263: ok 9681 263: ok 9682 263: ok 9683 263: ok 9684 263: ok 9685 263: ok 9686 263: ok 9687 263: ok 9688 263: ok 9689 263: ok 9690 263: ok 9691 263: ok 9692 263: ok 9693 263: ok 9694 263: ok 9695 263: ok 9696 263: ok 9697 263: ok 9698 263: ok 9699 263: ok 9700 263: ok 9701 263: ok 9702 263: ok 9703 263: ok 9704 263: ok 9705 263: ok 9706 263: ok 9707 263: ok 9708 263: ok 9709 263: ok 9710 263: ok 9711 263: ok 9712 263: ok 9713 263: ok 9714 263: ok 9715 263: ok 9716 263: ok 9717 263: ok 9718 263: ok 9719 263: ok 9720 263: ok 9721 263: ok 9722 263: ok 9723 263: ok 9724 263: ok 9725 263: ok 9726 263: ok 9727 263: ok 9728 263: ok 9729 263: ok 9730 263: ok 9731 263: ok 9732 263: ok 9733 263: ok 9734 263: ok 9735 263: ok 9736 263: ok 9737 263: ok 9738 263: ok 9739 263: ok 9740 263: ok 9741 263: ok 9742 263: ok 9743 263: ok 9744 263: ok 9745 263: ok 9746 263: ok 9747 263: ok 9748 263: ok 9749 263: ok 9750 263: ok 9751 263: ok 9752 263: ok 9753 263: ok 9754 263: ok 9755 263: ok 9756 263: ok 9757 263: ok 9758 263: ok 9759 263: ok 9760 263: ok 9761 263: ok 9762 263: ok 9763 263: ok 9764 263: ok 9765 263: ok 9766 263: ok 9767 263: ok 9768 263: ok 9769 263: ok 9770 263: ok 9771 263: ok 9772 263: ok 9773 263: ok 9774 263: ok 9775 263: ok 9776 263: ok 9777 263: ok 9778 263: ok 9779 263: ok 9780 263: ok 9781 263: ok 9782 263: ok 9783 263: ok 9784 263: ok 9785 263: ok 9786 263: ok 9787 263: ok 9788 263: ok 9789 263: ok 9790 263: ok 9791 263: ok 9792 263: ok 9793 263: ok 9794 263: ok 9795 263: ok 9796 263: ok 9797 263: ok 9798 263: ok 9799 263: ok 9800 263: ok 9801 263: ok 9802 263: ok 9803 263: ok 9804 263: ok 9805 263: ok 9806 263: ok 9807 263: ok 9808 263: ok 9809 263: ok 9810 263: ok 9811 263: ok 9812 263: ok 9813 263: ok 9814 263: ok 9815 263: ok 9816 263: ok 9817 263: ok 9818 263: ok 9819 263: ok 9820 263: ok 9821 263: ok 9822 263: ok 9823 263: ok 9824 263: ok 9825 263: ok 9826 263: ok 9827 263: ok 9828 263: ok 9829 263: ok 9830 263: ok 9831 263: ok 9832 263: ok 9833 263: ok 9834 263: ok 9835 263: ok 9836 263: ok 9837 263: ok 9838 263: ok 9839 263: ok 9840 263: ok 9841 263: ok 9842 263: ok 9843 263: ok 9844 263: ok 9845 263: ok 9846 263: ok 9847 263: ok 9848 263: ok 9849 263: ok 9850 263: ok 9851 263: ok 9852 263: ok 9853 263: ok 9854 263: ok 9855 263: ok 9856 263: ok 9857 263: ok 9858 263: ok 9859 263: ok 9860 263: ok 9861 263: ok 9862 263: ok 9863 263: ok 9864 263: ok 9865 263: ok 9866 263: ok 9867 263: ok 9868 263: ok 9869 263: ok 9870 263: ok 9871 263: ok 9872 263: ok 9873 263: ok 9874 263: ok 9875 263: ok 9876 263: ok 9877 263: ok 9878 263: ok 9879 263: ok 9880 263: ok 9881 263: ok 9882 263: ok 9883 263: ok 9884 263: ok 9885 263: ok 9886 263: ok 9887 263: ok 9888 263: ok 9889 263: ok 9890 263: ok 9891 263: ok 9892 263: ok 9893 263: ok 9894 263: ok 9895 263: ok 9896 263: ok 9897 263: ok 9898 263: ok 9899 263: ok 9900 263: ok 9901 263: ok 9902 263: ok 9903 263: ok 9904 263: ok 9905 263: ok 9906 263: ok 9907 263: ok 9908 263: ok 9909 263: ok 9910 263: ok 9911 263: ok 9912 263: ok 9913 263: ok 9914 263: ok 9915 263: ok 9916 263: ok 9917 263: ok 9918 263: ok 9919 263: ok 9920 263: ok 9921 263: ok 9922 263: ok 9923 263: ok 9924 263: ok 9925 263: ok 9926 263: ok 9927 263: ok 9928 263: ok 9929 263: ok 9930 263: ok 9931 263: ok 9932 263: ok 9933 263: ok 9934 263: ok 9935 263: ok 9936 263: ok 9937 263: ok 9938 263: ok 9939 263: ok 9940 263: ok 9941 263: ok 9942 263: ok 9943 263: ok 9944 263: ok 9945 263: ok 9946 263: ok 9947 263: ok 9948 263: ok 9949 263: ok 9950 263: ok 9951 263: ok 9952 263: ok 9953 263: ok 9954 263: ok 9955 263: ok 9956 263: ok 9957 263: ok 9958 263: ok 9959 263: ok 9960 263: ok 9961 263: ok 9962 263: ok 9963 263: ok 9964 263: ok 9965 263: ok 9966 263: ok 9967 263: ok 9968 263: ok 9969 263: ok 9970 263: ok 9971 263: ok 9972 263: ok 9973 263: ok 9974 263: ok 9975 263: ok 9976 263: ok 9977 263: ok 9978 263: ok 9979 263: ok 9980 263: ok 9981 263: ok 9982 263: ok 9983 263: ok 9984 263: ok 9985 263: ok 9986 263: ok 9987 263: ok 9988 263: ok 9989 263: ok 9990 263: ok 9991 263: ok 9992 263: ok 9993 263: ok 9994 263: ok 9995 263: ok 9996 263: ok 9997 263: ok 9998 263: ok 9999 263: ok 10000 263: ok 10001 263: ok 10002 263: ok 10003 263: ok 10004 263: ok 10005 263: ok 10006 263: ok 10007 263: ok 10008 263: ok 10009 263: ok 10010 263: ok 10011 263: ok 10012 263: ok 10013 263: ok 10014 263: ok 10015 263: ok 10016 263: ok 10017 263: ok 10018 263: ok 10019 263: ok 10020 263: ok 10021 263: ok 10022 263: ok 10023 263: ok 10024 263: ok 10025 263: ok 10026 263: ok 10027 263: ok 10028 263: ok 10029 263: ok 10030 263: ok 10031 263: ok 10032 263: ok 10033 263: ok 10034 263: ok 10035 263: ok 10036 263: ok 10037 263: ok 10038 263: ok 10039 263: ok 10040 263: ok 10041 263: ok 10042 263: ok 10043 263: ok 10044 263: ok 10045 263: ok 10046 263: ok 10047 263: ok 10048 263: ok 10049 263: ok 10050 263: ok 10051 263: ok 10052 263: ok 10053 263: ok 10054 263: ok 10055 263: ok 10056 263: ok 10057 263: ok 10058 263: ok 10059 263: ok 10060 263: ok 10061 263: ok 10062 263: ok 10063 263: ok 10064 263: ok 10065 263: ok 10066 263: ok 10067 263: ok 10068 263: ok 10069 263: ok 10070 263: ok 10071 263: ok 10072 263: ok 10073 263: ok 10074 263: ok 10075 263: ok 10076 263: ok 10077 263: ok 10078 263: ok 10079 263: ok 10080 263: ok 10081 263: ok 10082 263: ok 10083 263: ok 10084 263: ok 10085 263: ok 10086 263: ok 10087 263: ok 10088 263: ok 10089 263: ok 10090 263: ok 10091 263: ok 10092 263: ok 10093 263: ok 10094 263: ok 10095 263: ok 10096 263: ok 10097 263: ok 10098 263: ok 10099 263: ok 10100 263: ok 10101 263: ok 10102 263: ok 10103 263: ok 10104 263: ok 10105 263: ok 10106 263: ok 10107 263: ok 10108 263: ok 10109 263: ok 10110 263: ok 10111 263: ok 10112 263: ok 10113 263: ok 10114 263: ok 10115 263: ok 10116 263: ok 10117 263: ok 10118 263: ok 10119 263: ok 10120 263: ok 10121 263: ok 10122 263: ok 10123 263: ok 10124 263: ok 10125 263: ok 10126 263: ok 10127 263: ok 10128 263: ok 10129 263: ok 10130 263: ok 10131 263: ok 10132 263: ok 10133 263: ok 10134 263: ok 10135 263: ok 10136 263: ok 10137 263: ok 10138 263: ok 10139 263: ok 10140 263: ok 10141 263: ok 10142 263: ok 10143 263: ok 10144 263: ok 10145 263: ok 10146 263: ok 10147 263: ok 10148 263: ok 10149 263: ok 10150 263: ok 10151 263: ok 10152 263: ok 10153 263: ok 10154 263: ok 10155 263: ok 10156 263: ok 10157 263: ok 10158 263: ok 10159 263: ok 10160 263: ok 10161 263: ok 10162 263: ok 10163 263: ok 10164 263: ok 10165 263: ok 10166 263: ok 10167 263: ok 10168 263: ok 10169 263: ok 10170 263: ok 10171 263: ok 10172 263: ok 10173 263: ok 10174 263: ok 10175 263: ok 10176 263: ok 10177 263: ok 10178 263: ok 10179 263: ok 10180 263: ok 10181 263: ok 10182 263: ok 10183 263: ok 10184 263: ok 10185 263: ok 10186 263: ok 10187 263: ok 10188 263: ok 10189 263: ok 10190 263: ok 10191 263: ok 10192 263: ok 10193 263: ok 10194 263: ok 10195 263: ok 10196 263: ok 10197 263: ok 10198 263: ok 10199 263: ok 10200 263: ok 10201 263: ok 10202 263: ok 10203 263: ok 10204 263: ok 10205 263: ok 10206 263: ok 10207 263: ok 10208 263: ok 10209 263: ok 10210 263: ok 10211 263: ok 10212 263: ok 10213 263: ok 10214 263: ok 10215 263: ok 10216 263: ok 10217 263: ok 10218 263: ok 10219 263: ok 10220 263: ok 10221 263: ok 10222 263: ok 10223 263: ok 10224 263: ok 10225 263: ok 10226 263: ok 10227 263: ok 10228 263: ok 10229 263: ok 10230 263: ok 10231 263: ok 10232 263: ok 10233 263: ok 10234 263: ok 10235 263: ok 10236 263: ok 10237 263: ok 10238 263: ok 10239 263: ok 10240 263: ok 10241 263: ok 10242 263: ok 10243 263: ok 10244 263: ok 10245 263: ok 10246 263: ok 10247 263: ok 10248 263: ok 10249 263: ok 10250 263: ok 10251 263: ok 10252 263: ok 10253 263: ok 10254 263: ok 10255 263: ok 10256 263: ok 10257 263: ok 10258 263: ok 10259 263: ok 10260 263: ok 10261 263: ok 10262 263: ok 10263 263: ok 10264 263: ok 10265 263: ok 10266 263: ok 10267 263: ok 10268 263: ok 10269 263: ok 10270 263: ok 10271 263: ok 10272 263: ok 10273 263: ok 10274 263: ok 10275 263: ok 10276 263: ok 10277 263: ok 10278 263: ok 10279 263: ok 10280 263: ok 10281 263: ok 10282 263: ok 10283 263: ok 10284 263: ok 10285 263: ok 10286 263: ok 10287 263: ok 10288 263: ok 10289 263: ok 10290 263: ok 10291 263: ok 10292 263: ok 10293 263: ok 10294 263: ok 10295 263: ok 10296 263: ok 10297 263: ok 10298 263: ok 10299 263: ok 10300 263: ok 10301 263: ok 10302 263: ok 10303 263: ok 10304 263: ok 10305 263: ok 10306 263: ok 10307 263: ok 10308 263: ok 10309 263: ok 10310 263: ok 10311 263: ok 10312 263: ok 10313 263: ok 10314 263: ok 10315 263: ok 10316 263: ok 10317 263: ok 10318 263: ok 10319 263: ok 10320 263: ok 10321 263: ok 10322 263: ok 10323 263: ok 10324 263: ok 10325 263: ok 10326 263: ok 10327 263: ok 10328 263: ok 10329 263: ok 10330 263: ok 10331 263: ok 10332 263: ok 10333 263: ok 10334 263: ok 10335 263: ok 10336 263: ok 10337 263: ok 10338 263: ok 10339 263: ok 10340 263: ok 10341 263: ok 10342 263: ok 10343 263: ok 10344 263: ok 10345 263: ok 10346 263: ok 10347 263: ok 10348 263: ok 10349 263: ok 10350 263: ok 10351 263: ok 10352 263: ok 10353 263: ok 10354 263: ok 10355 263: ok 10356 263: ok 10357 263: ok 10358 263: ok 10359 263: ok 10360 263: ok 10361 263: ok 10362 263: ok 10363 263: ok 10364 263: ok 10365 263: ok 10366 263: ok 10367 263: ok 10368 263: ok 10369 263: ok 10370 263: ok 10371 263: ok 10372 263: ok 10373 263: ok 10374 263: ok 10375 263: ok 10376 263: ok 10377 263: ok 10378 263: ok 10379 263: ok 10380 263: ok 10381 263: ok 10382 263: ok 10383 263: ok 10384 263: ok 10385 263: ok 10386 263: ok 10387 263: ok 10388 263: ok 10389 263: ok 10390 263: ok 10391 263: ok 10392 263: ok 10393 263: ok 10394 263: ok 10395 263: ok 10396 263: ok 10397 263: ok 10398 263: ok 10399 263: ok 10400 263: ok 10401 263: ok 10402 263: ok 10403 263: ok 10404 263: ok 10405 263: ok 10406 263: ok 10407 263: ok 10408 263: ok 10409 263: ok 10410 263: ok 10411 263: ok 10412 263: ok 10413 263: ok 10414 263: ok 10415 263: ok 10416 263: ok 10417 263: ok 10418 263: ok 10419 263: ok 10420 263: ok 10421 263: ok 10422 263: ok 10423 263: ok 10424 263: ok 10425 263: ok 10426 263: ok 10427 263: ok 10428 263: ok 10429 263: ok 10430 263: ok 10431 263: ok 10432 263: ok 10433 263: ok 10434 263: ok 10435 263: ok 10436 263: ok 10437 263: ok 10438 263: ok 10439 263: ok 10440 263: ok 10441 263: ok 10442 263: ok 10443 263: ok 10444 263: ok 10445 263: ok 10446 263: ok 10447 263: ok 10448 263: ok 10449 263: ok 10450 263: ok 10451 263: ok 10452 263: ok 10453 263: ok 10454 263: ok 10455 263: ok 10456 263: ok 10457 263: ok 10458 263: ok 10459 263: ok 10460 263: ok 10461 263: ok 10462 263: ok 10463 263: ok 10464 263: ok 10465 263: ok 10466 263: ok 10467 263: ok 10468 263: ok 10469 263: ok 10470 263: ok 10471 263: ok 10472 263: ok 10473 263: ok 10474 263: ok 10475 263: ok 10476 263: ok 10477 263: ok 10478 263: ok 10479 263: ok 10480 263: ok 10481 263: ok 10482 263: ok 10483 263: ok 10484 263: ok 10485 263: ok 10486 263: ok 10487 263: ok 10488 263: ok 10489 263: ok 10490 263: ok 10491 263: ok 10492 263: ok 10493 263: ok 10494 263: ok 10495 263: ok 10496 263: ok 10497 263: ok 10498 263: ok 10499 263: ok 10500 263: ok 10501 263: ok 10502 263: ok 10503 263: ok 10504 263: ok 10505 263: ok 10506 263: ok 10507 263: ok 10508 263: ok 10509 263: ok 10510 263: ok 10511 263: ok 10512 263: ok 10513 263: ok 10514 263: ok 10515 263: ok 10516 263: ok 10517 263: ok 10518 263: ok 10519 263: ok 10520 263: ok 10521 263: ok 10522 263: ok 10523 263: ok 10524 263: ok 10525 263: ok 10526 263: ok 10527 263: ok 10528 263: ok 10529 263: ok 10530 263: ok 10531 263: ok 10532 263: ok 10533 263: ok 10534 263: ok 10535 263: ok 10536 263: ok 10537 263: ok 10538 263: ok 10539 263: ok 10540 263: ok 10541 263: ok 10542 263: ok 10543 263: ok 10544 263: ok 10545 263: ok 10546 263: ok 10547 263: ok 10548 263: ok 10549 263: ok 10550 263: ok 10551 263: ok 10552 263: ok 10553 263: ok 10554 263: ok 10555 263: ok 10556 263: ok 10557 263: ok 10558 263: ok 10559 263: ok 10560 263: ok 10561 263: ok 10562 263: ok 10563 263: ok 10564 263: ok 10565 263: ok 10566 263: ok 10567 263: ok 10568 263: ok 10569 263: ok 10570 263: ok 10571 263: ok 10572 263: ok 10573 263: ok 10574 263: ok 10575 263: ok 10576 263: ok 10577 263: ok 10578 263: ok 10579 263: ok 10580 263: ok 10581 263: ok 10582 263: ok 10583 263: ok 10584 263: ok 10585 263: ok 10586 263: ok 10587 263: ok 10588 263: ok 10589 263: ok 10590 263: ok 10591 263: ok 10592 263: ok 10593 263: ok 10594 263: ok 10595 263: ok 10596 263: ok 10597 263: ok 10598 263: ok 10599 263: ok 10600 263: ok 10601 263: ok 10602 263: ok 10603 263: ok 10604 263: ok 10605 263: ok 10606 263: ok 10607 263: ok 10608 263: ok 10609 263: ok 10610 263: ok 10611 263: ok 10612 263: ok 10613 263: ok 10614 263: ok 10615 263: ok 10616 263: ok 10617 263: ok 10618 263: ok 10619 263: ok 10620 263: ok 10621 263: ok 10622 263: ok 10623 263: ok 10624 263: ok 10625 263: ok 10626 263: ok 10627 263: ok 10628 263: ok 10629 263: ok 10630 263: ok 10631 263: ok 10632 263: ok 10633 263: ok 10634 263: ok 10635 263: ok 10636 263: ok 10637 263: ok 10638 263: ok 10639 263: ok 10640 263: ok 10641 263: ok 10642 263: ok 10643 263: ok 10644 263: ok 10645 263: ok 10646 263: ok 10647 263: ok 10648 263: ok 10649 263: ok 10650 263: ok 10651 263: ok 10652 263: ok 10653 263: ok 10654 263: ok 10655 263: ok 10656 263: ok 10657 263: ok 10658 263: ok 10659 263: ok 10660 263: ok 10661 263: ok 10662 263: ok 10663 263: ok 10664 263: ok 10665 263: ok 10666 263: ok 10667 263: ok 10668 263: ok 10669 263: ok 10670 263: ok 10671 263: ok 10672 263: ok 10673 263: ok 10674 263: ok 10675 263: ok 10676 263: ok 10677 263: ok 10678 263: ok 10679 263: ok 10680 263: ok 10681 263: ok 10682 263: ok 10683 263: ok 10684 263: ok 10685 263: ok 10686 263: ok 10687 263: ok 10688 263: ok 10689 263: ok 10690 263: ok 10691 263: ok 10692 263: ok 10693 263: ok 10694 263: ok 10695 263: ok 10696 263: ok 10697 263: ok 10698 263: ok 10699 263: ok 10700 263: ok 10701 263: ok 10702 263: ok 10703 263: ok 10704 263: ok 10705 263: ok 10706 263: ok 10707 263: ok 10708 263: ok 10709 263: ok 10710 263: ok 10711 263: ok 10712 263: ok 10713 263: ok 10714 263: ok 10715 263: ok 10716 263: ok 10717 263: ok 10718 263: ok 10719 263: ok 10720 263: ok 10721 263: ok 10722 263: ok 10723 263: ok 10724 263: ok 10725 263: ok 10726 263: ok 10727 263: ok 10728 263: ok 10729 263: ok 10730 263: ok 10731 263: ok 10732 263: ok 10733 263: ok 10734 263: ok 10735 263: ok 10736 263: ok 10737 263: ok 10738 263: ok 10739 263: ok 10740 263: ok 10741 263: ok 10742 263: ok 10743 263: ok 10744 263: ok 10745 263: ok 10746 263: ok 10747 263: ok 10748 263: ok 10749 263: ok 10750 263: ok 10751 263: ok 10752 263: ok 10753 263: ok 10754 263: ok 10755 263: ok 10756 263: ok 10757 263: ok 10758 263: ok 10759 263: ok 10760 263: ok 10761 263: ok 10762 263: ok 10763 263: ok 10764 263: ok 10765 263: ok 10766 263: ok 10767 263: ok 10768 263: ok 10769 263: ok 10770 263: ok 10771 263: ok 10772 263: ok 10773 263: ok 10774 263: ok 10775 263: ok 10776 263: ok 10777 263: ok 10778 263: ok 10779 263: ok 10780 263: ok 10781 263: ok 10782 263: ok 10783 263: ok 10784 263: ok 10785 263: ok 10786 263: ok 10787 263: ok 10788 263: ok 10789 263: ok 10790 263: ok 10791 263: ok 10792 263: ok 10793 263: ok 10794 263: ok 10795 263: ok 10796 263: ok 10797 263: ok 10798 263: ok 10799 263: ok 10800 263: ok 10801 263: ok 10802 263: ok 10803 263: ok 10804 263: ok 10805 263: ok 10806 263: ok 10807 263: ok 10808 263: ok 10809 263: ok 10810 263: ok 10811 263: ok 10812 263: ok 10813 263: ok 10814 263: ok 10815 263: ok 10816 263: ok 10817 263: ok 10818 263: ok 10819 263: ok 10820 263: ok 10821 263: ok 10822 263: ok 10823 263: ok 10824 263: ok 10825 263: ok 10826 263: ok 10827 263: ok 10828 263: ok 10829 263: ok 10830 263: ok 10831 263: ok 10832 263: ok 10833 263: ok 10834 263: ok 10835 263: ok 10836 263: ok 10837 263: ok 10838 263: ok 10839 263: ok 10840 263: ok 10841 263: ok 10842 263: ok 10843 263: ok 10844 263: ok 10845 263: ok 10846 263: ok 10847 263: ok 10848 263: ok 10849 263: ok 10850 263: ok 10851 263: ok 10852 263: ok 10853 263: ok 10854 263: ok 10855 263: ok 10856 263: ok 10857 263: ok 10858 263: ok 10859 263: ok 10860 263: ok 10861 263: ok 10862 263: ok 10863 263: ok 10864 263: ok 10865 263: ok 10866 263: ok 10867 263: ok 10868 263: ok 10869 263: ok 10870 263: ok 10871 263: ok 10872 263: ok 10873 263: ok 10874 263: ok 10875 263: ok 10876 263: ok 10877 263: ok 10878 263: ok 10879 263: ok 10880 263: ok 10881 263: ok 10882 263: ok 10883 263: ok 10884 263: ok 10885 263: ok 10886 263: ok 10887 263: ok 10888 263: ok 10889 263: ok 10890 263: ok 10891 263: ok 10892 263: ok 10893 263: ok 10894 263: ok 10895 263: ok 10896 263: ok 10897 263: ok 10898 263: ok 10899 263: ok 10900 263: ok 10901 263: ok 10902 263: ok 10903 263: ok 10904 263: ok 10905 263: ok 10906 263: ok 10907 263: ok 10908 263: ok 10909 263: ok 10910 263: ok 10911 263: ok 10912 263: ok 10913 263: ok 10914 263: ok 10915 263: ok 10916 263: ok 10917 263: ok 10918 263: ok 10919 263: ok 10920 263: ok 10921 263: ok 10922 263: ok 10923 263: ok 10924 263: ok 10925 263: ok 10926 263: ok 10927 263: ok 10928 263: ok 10929 263: ok 10930 263: ok 10931 263: ok 10932 263: ok 10933 263: ok 10934 263: ok 10935 263: ok 10936 263: ok 10937 263: ok 10938 263: ok 10939 263: ok 10940 263: ok 10941 263: ok 10942 263: ok 10943 263: ok 10944 263: ok 10945 263: ok 10946 263: ok 10947 263: ok 10948 263: ok 10949 263: ok 10950 263: ok 10951 263: ok 10952 263: ok 10953 263: ok 10954 263: ok 10955 263: ok 10956 263: ok 10957 263: ok 10958 263: ok 10959 263: ok 10960 263: ok 10961 263: ok 10962 263: ok 10963 263: ok 10964 263: ok 10965 263: ok 10966 263: ok 10967 263: ok 10968 263: ok 10969 263: ok 10970 263: ok 10971 263: ok 10972 263: ok 10973 263: ok 10974 263: ok 10975 263: ok 10976 263: ok 10977 263: ok 10978 263: ok 10979 263: ok 10980 263: ok 10981 263: ok 10982 263: ok 10983 263: ok 10984 263: ok 10985 263: ok 10986 263: ok 10987 263: ok 10988 263: ok 10989 263: ok 10990 263: ok 10991 263: ok 10992 263: ok 10993 263: ok 10994 263: ok 10995 263: ok 10996 263: ok 10997 263: ok 10998 263: ok 10999 263: ok 11000 263: ok 11001 263: ok 11002 263: ok 11003 263: ok 11004 263: ok 11005 263: ok 11006 263: ok 11007 263: ok 11008 263: ok 11009 263: ok 11010 263: ok 11011 263: ok 11012 263: ok 11013 263: ok 11014 263: ok 11015 263: ok 11016 263: ok 11017 263: ok 11018 263: ok 11019 263: ok 11020 263: ok 11021 263: ok 11022 263: ok 11023 263: ok 11024 263: ok 11025 263: ok 11026 263: ok 11027 263: ok 11028 263: ok 11029 263: ok 11030 263: ok 11031 263: ok 11032 263: ok 11033 263: ok 11034 263: ok 11035 263: ok 11036 263: ok 11037 263: ok 11038 263: ok 11039 263: ok 11040 263: ok 11041 263: ok 11042 263: ok 11043 263: ok 11044 263: ok 11045 263: ok 11046 263: ok 11047 263: ok 11048 263: ok 11049 263: ok 11050 263: ok 11051 263: ok 11052 263: ok 11053 263: ok 11054 263: ok 11055 263: ok 11056 263: ok 11057 263: ok 11058 263: ok 11059 263: ok 11060 263: ok 11061 263: ok 11062 263: ok 11063 263: ok 11064 263: ok 11065 263: ok 11066 263: ok 11067 263: ok 11068 263: ok 11069 263: ok 11070 263: ok 11071 263: ok 11072 263: ok 11073 263: ok 11074 263: ok 11075 263: ok 11076 263: ok 11077 263: ok 11078 263: ok 11079 263: ok 11080 263: ok 11081 263: ok 11082 263: ok 11083 263: ok 11084 263: ok 11085 263: ok 11086 263: ok 11087 263: ok 11088 263: ok 11089 263: ok 11090 263: ok 11091 263: ok 11092 263: ok 11093 263: ok 11094 263: ok 11095 263: ok 11096 263: ok 11097 263: ok 11098 263: ok 11099 263: ok 11100 263: ok 11101 263: ok 11102 263: ok 11103 263: ok 11104 263: ok 11105 263: ok 11106 263: ok 11107 263: ok 11108 263: ok 11109 263: ok 11110 263: ok 11111 263: ok 11112 263: ok 11113 263: ok 11114 263: ok 11115 263: ok 11116 263: ok 11117 263: ok 11118 263: ok 11119 263: ok 11120 263: ok 11121 263: ok 11122 263: ok 11123 263: ok 11124 263: ok 11125 263: ok 11126 263: ok 11127 263: ok 11128 263: ok 11129 263: ok 11130 263: ok 11131 263: ok 11132 263: ok 11133 263: ok 11134 263: ok 11135 263: ok 11136 263: ok 11137 263: ok 11138 263: ok 11139 263: ok 11140 263: ok 11141 263: ok 11142 263: ok 11143 263: ok 11144 263: ok 11145 263: ok 11146 263: ok 11147 263: ok 11148 263: ok 11149 263: ok 11150 263: ok 11151 263: ok 11152 263: ok 11153 263: ok 11154 263: ok 11155 263: ok 11156 263: ok 11157 263: ok 11158 263: ok 11159 263: ok 11160 263: ok 11161 263: ok 11162 263: ok 11163 263: ok 11164 263: ok 11165 263: ok 11166 263: ok 11167 263: ok 11168 263: ok 11169 263: ok 11170 263: ok 11171 263: ok 11172 263: ok 11173 263: ok 11174 263: ok 11175 263: ok 11176 263: ok 11177 263: ok 11178 263: ok 11179 263: ok 11180 263: ok 11181 263: ok 11182 263: ok 11183 263: ok 11184 263: ok 11185 263: ok 11186 263: ok 11187 263: ok 11188 263: ok 11189 263: ok 11190 263: ok 11191 263: ok 11192 263: ok 11193 263: ok 11194 263: ok 11195 263: ok 11196 263: ok 11197 263: ok 11198 263: ok 11199 263: ok 11200 263: ok 11201 263: ok 11202 263: ok 11203 263: ok 11204 263: ok 11205 263: ok 11206 263: ok 11207 263: ok 11208 263: ok 11209 263: ok 11210 263: ok 11211 263: ok 11212 263: ok 11213 263: ok 11214 263: ok 11215 263: ok 11216 263: ok 11217 263: ok 11218 263: ok 11219 263: ok 11220 263: ok 11221 263: ok 11222 263: ok 11223 263: ok 11224 263: ok 11225 263: ok 11226 263: ok 11227 263: ok 11228 263: ok 11229 263: ok 11230 263: ok 11231 263: ok 11232 263: ok 11233 263: ok 11234 263: ok 11235 263: ok 11236 263: ok 11237 263: ok 11238 263: ok 11239 263: ok 11240 263: ok 11241 263: ok 11242 263: ok 11243 263: ok 11244 263: ok 11245 263: ok 11246 263: ok 11247 263: ok 11248 263: ok 11249 263: ok 11250 263: ok 11251 263: ok 11252 263: ok 11253 263: ok 11254 263: ok 11255 263: ok 11256 263: ok 11257 263: ok 11258 263: ok 11259 263: ok 11260 263: ok 11261 263: ok 11262 263: ok 11263 263: ok 11264 263: ok 11265 263: ok 11266 263: ok 11267 263: ok 11268 263: ok 11269 263: ok 11270 263: ok 11271 263: ok 11272 263: ok 11273 263: ok 11274 263: ok 11275 263: ok 11276 263: ok 11277 263: ok 11278 263: ok 11279 263: ok 11280 263: ok 11281 263: ok 11282 263: ok 11283 263: ok 11284 263: ok 11285 263: ok 11286 263: ok 11287 263: ok 11288 263: ok 11289 263: ok 11290 263: ok 11291 263: ok 11292 263: ok 11293 263: ok 11294 263: ok 11295 263: ok 11296 263: ok 11297 263: ok 11298 263: ok 11299 263: ok 11300 263: ok 11301 263: ok 11302 263: ok 11303 263: ok 11304 263: ok 11305 263: ok 11306 263: ok 11307 263: ok 11308 263: ok 11309 263: ok 11310 263: ok 11311 263: ok 11312 263: ok 11313 263: ok 11314 263: ok 11315 263: ok 11316 263: ok 11317 263: ok 11318 263: ok 11319 263: ok 11320 263: ok 11321 263: ok 11322 263: ok 11323 263: ok 11324 263: ok 11325 263: ok 11326 263: ok 11327 263: ok 11328 263: ok 11329 263: ok 11330 263: ok 11331 263: ok 11332 263: ok 11333 263: ok 11334 263: ok 11335 263: ok 11336 263: ok 11337 263: ok 11338 263: ok 11339 263: ok 11340 263: ok 11341 263: ok 11342 263: ok 11343 263: ok 11344 263: ok 11345 263: ok 11346 263: ok 11347 263: ok 11348 263: ok 11349 263: ok 11350 263: ok 11351 263: ok 11352 263: ok 11353 263: ok 11354 263: ok 11355 263: ok 11356 263: ok 11357 263: ok 11358 263: ok 11359 263: ok 11360 263: ok 11361 263: ok 11362 263: ok 11363 263: ok 11364 263: ok 11365 263: ok 11366 263: ok 11367 263: ok 11368 263: ok 11369 263: ok 11370 263: ok 11371 263: ok 11372 263: ok 11373 263: ok 11374 263: ok 11375 263: ok 11376 263: ok 11377 263: ok 11378 263: ok 11379 263: ok 11380 263: ok 11381 263: ok 11382 263: ok 11383 263: ok 11384 263: ok 11385 263: ok 11386 263: ok 11387 263: ok 11388 263: ok 11389 263: ok 11390 263: ok 11391 263: ok 11392 263: ok 11393 263: ok 11394 263: ok 11395 263: ok 11396 263: ok 11397 263: ok 11398 263: ok 11399 263: ok 11400 263: ok 11401 263: ok 11402 263: ok 11403 263: ok 11404 263: ok 11405 263: ok 11406 263: ok 11407 263: ok 11408 263: ok 11409 263: ok 11410 263: ok 11411 263: ok 11412 263: ok 11413 263: ok 11414 263: ok 11415 263: ok 11416 263: ok 11417 263: ok 11418 263: ok 11419 263: ok 11420 263: ok 11421 263: ok 11422 263: ok 11423 263: ok 11424 263: ok 11425 263: ok 11426 263: ok 11427 263: ok 11428 263: ok 11429 263: ok 11430 263: ok 11431 263: ok 11432 263: ok 11433 263: ok 11434 263: ok 11435 263: ok 11436 263: ok 11437 263: ok 11438 263: ok 11439 263: ok 11440 263: ok 11441 263: ok 11442 263: ok 11443 263: ok 11444 263: ok 11445 263: ok 11446 263: ok 11447 263: ok 11448 263: ok 11449 263: ok 11450 263: ok 11451 263: ok 11452 263: ok 11453 263: ok 11454 263: ok 11455 263: ok 11456 263: ok 11457 263: ok 11458 263: ok 11459 263: ok 11460 263: ok 11461 263: ok 11462 263: ok 11463 263: ok 11464 263: ok 11465 263: ok 11466 263: ok 11467 263: ok 11468 263: ok 11469 263: ok 11470 263: ok 11471 263: ok 11472 263: ok 11473 263: ok 11474 263: ok 11475 263: ok 11476 263: ok 11477 263: ok 11478 263: ok 11479 263: ok 11480 263: ok 11481 263: ok 11482 263: ok 11483 263: ok 11484 263: ok 11485 263: ok 11486 263: ok 11487 263: ok 11488 263: ok 11489 263: ok 11490 263: ok 11491 263: ok 11492 263: ok 11493 263: ok 11494 263: ok 11495 263: ok 11496 263: ok 11497 263: ok 11498 263: ok 11499 263: ok 11500 263: ok 11501 263: ok 11502 263: ok 11503 263: ok 11504 263: ok 11505 263: ok 11506 263: ok 11507 263: ok 11508 263: ok 11509 263: ok 11510 263: ok 11511 263: ok 11512 263: ok 11513 263: ok 11514 263: ok 11515 263: ok 11516 263: ok 11517 263: ok 11518 263: ok 11519 263: ok 11520 263: ok 11521 263: ok 11522 263: ok 11523 263: ok 11524 263: ok 11525 263: ok 11526 263: ok 11527 263: ok 11528 263: ok 11529 263: ok 11530 263: ok 11531 263: ok 11532 263: ok 11533 263: ok 11534 263: ok 11535 263: ok 11536 263: ok 11537 263: ok 11538 263: ok 11539 263: ok 11540 263: ok 11541 263: ok 11542 263: ok 11543 263: ok 11544 263: ok 11545 263: ok 11546 263: ok 11547 263: ok 11548 263: ok 11549 263: ok 11550 263: ok 11551 263: ok 11552 263: ok 11553 263: ok 11554 263: ok 11555 263: ok 11556 263: ok 11557 263: ok 11558 263: ok 11559 263: ok 11560 263: ok 11561 263: ok 11562 263: ok 11563 263: ok 11564 263: ok 11565 263: ok 11566 263: ok 11567 263: ok 11568 263: ok 11569 263: ok 11570 263: ok 11571 263: ok 11572 263: ok 11573 263: ok 11574 263: ok 11575 263: ok 11576 263: ok 11577 263: ok 11578 263: ok 11579 263: ok 11580 263: ok 11581 263: ok 11582 263: ok 11583 263: ok 11584 263: ok 11585 263: ok 11586 263: ok 11587 263: ok 11588 263: ok 11589 263: ok 11590 263: ok 11591 263: ok 11592 263: ok 11593 263: ok 11594 263: ok 11595 263: ok 11596 263: ok 11597 263: ok 11598 263: ok 11599 263: ok 11600 263: ok 11601 263: ok 11602 263: ok 11603 263: ok 11604 263: ok 11605 263: ok 11606 263: ok 11607 263: ok 11608 263: ok 11609 263: ok 11610 263: ok 11611 263: ok 11612 263: ok 11613 263: ok 11614 263: ok 11615 263: ok 11616 263: ok 11617 263: ok 11618 263: ok 11619 263: ok 11620 263: ok 11621 263: ok 11622 263: ok 11623 263: ok 11624 263: ok 11625 263: ok 11626 263: ok 11627 263: ok 11628 263: ok 11629 263: ok 11630 263: ok 11631 263: ok 11632 263: ok 11633 263: ok 11634 263: ok 11635 263: ok 11636 263: ok 11637 263: ok 11638 263: ok 11639 263: ok 11640 263: ok 11641 263: ok 11642 263: ok 11643 263: ok 11644 263: ok 11645 263: ok 11646 263: ok 11647 263: ok 11648 263: ok 11649 263: ok 11650 263: ok 11651 263: ok 11652 263: ok 11653 263: ok 11654 263: ok 11655 263: ok 11656 263: ok 11657 263: ok 11658 263: ok 11659 263: ok 11660 263: ok 11661 263: ok 11662 263: ok 11663 263: ok 11664 263: ok 11665 263: ok 11666 263: ok 11667 263: ok 11668 263: ok 11669 263: ok 11670 263: ok 11671 263: ok 11672 263: ok 11673 263: ok 11674 263: ok 11675 263: ok 11676 263: ok 11677 263: ok 11678 263: ok 11679 263: ok 11680 263: ok 11681 263: ok 11682 263: ok 11683 263: ok 11684 263: ok 11685 263: ok 11686 263: ok 11687 263: ok 11688 263: ok 11689 263: ok 11690 263: ok 11691 263: ok 11692 263: ok 11693 263: ok 11694 263: ok 11695 263: ok 11696 263: ok 11697 263: ok 11698 263: ok 11699 263: ok 11700 263: ok 11701 263: ok 11702 263: ok 11703 263: ok 11704 263: ok 11705 263: ok 11706 263: ok 11707 263: ok 11708 263: ok 11709 263: ok 11710 263: ok 11711 263: ok 11712 263: ok 11713 263: ok 11714 263: ok 11715 263: ok 11716 263: ok 11717 263: ok 11718 263: ok 11719 263: ok 11720 263: ok 11721 263: ok 11722 263: ok 11723 263: ok 11724 263: ok 11725 263: ok 11726 263: ok 11727 263: ok 11728 263: ok 11729 263: ok 11730 263: ok 11731 263: ok 11732 263: ok 11733 263: ok 11734 263: ok 11735 263: ok 11736 263: ok 11737 263: ok 11738 263: ok 11739 263: ok 11740 263: ok 11741 263: ok 11742 263: ok 11743 263: ok 11744 263: ok 11745 263: ok 11746 263: ok 11747 263: ok 11748 263: ok 11749 263: ok 11750 263: ok 11751 263: ok 11752 263: ok 11753 263: ok 11754 263: ok 11755 263: ok 11756 263: ok 11757 263: ok 11758 263: ok 11759 263: ok 11760 263: ok 11761 263: ok 11762 263: ok 11763 263: ok 11764 263: ok 11765 263: ok 11766 263: ok 11767 263: ok 11768 263: ok 11769 263: ok 11770 263: ok 11771 263: ok 11772 263: ok 11773 263: ok 11774 263: ok 11775 263: ok 11776 263: ok 11777 263: ok 11778 263: ok 11779 263: ok 11780 263: ok 11781 263: ok 11782 263: ok 11783 263: ok 11784 263: ok 11785 263: ok 11786 263: ok 11787 263: ok 11788 263: ok 11789 263: ok 11790 263: ok 11791 263: ok 11792 263: ok 11793 263: ok 11794 263: ok 11795 263: ok 11796 263: ok 11797 263: ok 11798 263: ok 11799 263: ok 11800 263: ok 11801 263: ok 11802 263: ok 11803 263: ok 11804 263: ok 11805 263: ok 11806 263: ok 11807 263: ok 11808 263: ok 11809 263: ok 11810 263: ok 11811 263: ok 11812 263: ok 11813 263: ok 11814 263: ok 11815 263: ok 11816 263: ok 11817 263: ok 11818 263: ok 11819 263: ok 11820 263: ok 11821 263: ok 11822 263: ok 11823 263: ok 11824 263: ok 11825 263: ok 11826 263: ok 11827 263: ok 11828 263: ok 11829 263: ok 11830 263: ok 11831 263: ok 11832 263: ok 11833 263: ok 11834 263: ok 11835 263: ok 11836 263: ok 11837 263: ok 11838 263: ok 11839 263: ok 11840 263: ok 11841 263: ok 11842 263: ok 11843 263: ok 11844 263: ok 11845 263: ok 11846 263: ok 11847 263: ok 11848 263: ok 11849 263: ok 11850 263: ok 11851 263: ok 11852 263: ok 11853 263: ok 11854 263: ok 11855 263: ok 11856 263: ok 11857 263: ok 11858 263: ok 11859 263: ok 11860 263: ok 11861 263: ok 11862 263: ok 11863 263: ok 11864 263: ok 11865 263: ok 11866 263: ok 11867 263: ok 11868 263: ok 11869 263: ok 11870 263: ok 11871 263: ok 11872 263: ok 11873 263: ok 11874 263: ok 11875 263: ok 11876 263: ok 11877 263: ok 11878 263: ok 11879 263: ok 11880 263: ok 11881 263: ok 11882 263: ok 11883 263: ok 11884 263: ok 11885 263: ok 11886 263: ok 11887 263: ok 11888 263: ok 11889 263: ok 11890 263: ok 11891 263: ok 11892 263: ok 11893 263: ok 11894 263: ok 11895 263: ok 11896 263: ok 11897 263: ok 11898 263: ok 11899 263: ok 11900 263: ok 11901 263: ok 11902 263: ok 11903 263: ok 11904 263: ok 11905 263: ok 11906 263: ok 11907 263: ok 11908 263: ok 11909 263: ok 11910 263: ok 11911 263: ok 11912 263: ok 11913 263: ok 11914 263: ok 11915 263: ok 11916 263: ok 11917 263: ok 11918 263: ok 11919 263: ok 11920 263: ok 11921 263: ok 11922 263: ok 11923 263: ok 11924 263: ok 11925 263: ok 11926 263: ok 11927 263: ok 11928 263: ok 11929 263: ok 11930 263: ok 11931 263: ok 11932 263: ok 11933 263: ok 11934 263: ok 11935 263: ok 11936 263: ok 11937 263: ok 11938 263: ok 11939 263: ok 11940 263: ok 11941 263: ok 11942 263: ok 11943 263: ok 11944 263: ok 11945 263: ok 11946 263: ok 11947 263: ok 11948 263: ok 11949 263: ok 11950 263: ok 11951 263: ok 11952 263: ok 11953 263: ok 11954 263: ok 11955 263: ok 11956 263: ok 11957 263: ok 11958 263: ok 11959 263: ok 11960 263: ok 11961 263: ok 11962 263: ok 11963 263: ok 11964 263: ok 11965 263: ok 11966 263: ok 11967 263: ok 11968 263: ok 11969 263: ok 11970 263: ok 11971 263: ok 11972 263: ok 11973 263: ok 11974 263: ok 11975 263: ok 11976 263: ok 11977 263: ok 11978 263: ok 11979 263: ok 11980 263: ok 11981 263: ok 11982 263: ok 11983 263: ok 11984 263: ok 11985 263: ok 11986 263: ok 11987 263: ok 11988 263: ok 11989 263: ok 11990 263: ok 11991 263: ok 11992 263: ok 11993 263: ok 11994 263: ok 11995 263: ok 11996 263: ok 11997 263: ok 11998 263: ok 11999 263: ok 12000 263: ok 12001 263: ok 12002 263: ok 12003 263: ok 12004 263: ok 12005 263: ok 12006 263: ok 12007 263: ok 12008 263: ok 12009 263: ok 12010 263: ok 12011 263: ok 12012 263: ok 12013 263: ok 12014 263: ok 12015 263: ok 12016 263: ok 12017 263: ok 12018 263: ok 12019 263: ok 12020 263: ok 12021 263: ok 12022 263: ok 12023 263: ok 12024 263: ok 12025 263: ok 12026 263: ok 12027 263: ok 12028 263: ok 12029 263: ok 12030 263: ok 12031 263: ok 12032 263: ok 12033 263: ok 12034 263: ok 12035 263: ok 12036 263: ok 12037 263: ok 12038 263: ok 12039 263: ok 12040 263: ok 12041 263: ok 12042 263: ok 12043 263: ok 12044 263: ok 12045 263: ok 12046 263: ok 12047 263: ok 12048 263: ok 12049 263: ok 12050 263: ok 12051 263: ok 12052 263: ok 12053 263: ok 12054 263: ok 12055 263: ok 12056 263: ok 12057 263: ok 12058 263: ok 12059 263: ok 12060 263: ok 12061 263: ok 12062 263: ok 12063 263: ok 12064 263: ok 12065 263: ok 12066 263: ok 12067 263: ok 12068 263: ok 12069 263: ok 12070 263: ok 12071 263: ok 12072 263: ok 12073 263: ok 12074 263: ok 12075 263: ok 12076 263: ok 12077 263: ok 12078 263: ok 12079 263: ok 12080 263: ok 12081 263: ok 12082 263: ok 12083 263: ok 12084 263: ok 12085 263: ok 12086 263: ok 12087 263: ok 12088 263: ok 12089 263: ok 12090 263: ok 12091 263: ok 12092 263: ok 12093 263: ok 12094 263: ok 12095 263: ok 12096 263: ok 12097 263: ok 12098 263: ok 12099 263: ok 12100 263: ok 12101 263: ok 12102 263: ok 12103 263: ok 12104 263: ok 12105 263: ok 12106 263: ok 12107 263: ok 12108 263: ok 12109 263: ok 12110 263: ok 12111 263: ok 12112 263: ok 12113 263: ok 12114 263: ok 12115 263: ok 12116 263: ok 12117 263: ok 12118 263: ok 12119 263: ok 12120 263: ok 12121 263: ok 12122 263: ok 12123 263: ok 12124 263: ok 12125 263: ok 12126 263: ok 12127 263: ok 12128 263: ok 12129 263: ok 12130 263: ok 12131 263: ok 12132 263: ok 12133 263: ok 12134 263: ok 12135 263: ok 12136 263: ok 12137 263: ok 12138 263: ok 12139 263: ok 12140 263: ok 12141 263: ok 12142 263: ok 12143 263: ok 12144 263: ok 12145 263: ok 12146 263: ok 12147 263: ok 12148 263: ok 12149 263: ok 12150 263: ok 12151 263: ok 12152 263: ok 12153 263: ok 12154 263: ok 12155 263: ok 12156 263: ok 12157 263: ok 12158 263: ok 12159 263: ok 12160 263: ok 12161 263: ok 12162 263: ok 12163 263: ok 12164 263: ok 12165 263: ok 12166 263: ok 12167 263: ok 12168 263: ok 12169 263: ok 12170 263: ok 12171 263: ok 12172 263: ok 12173 263: ok 12174 263: ok 12175 263: ok 12176 263: ok 12177 263: ok 12178 263: ok 12179 263: ok 12180 263: ok 12181 263: ok 12182 263: ok 12183 263: ok 12184 263: ok 12185 263: ok 12186 263: ok 12187 263: ok 12188 263: ok 12189 263: ok 12190 263: ok 12191 263: ok 12192 263: ok 12193 263: ok 12194 263: ok 12195 263: ok 12196 263: ok 12197 263: ok 12198 263: ok 12199 263: ok 12200 263: ok 12201 263: ok 12202 263: ok 12203 263: ok 12204 263: ok 12205 263: ok 12206 263: ok 12207 263: ok 12208 263: ok 12209 263: ok 12210 263: ok 12211 263: ok 12212 263: ok 12213 263: ok 12214 263: ok 12215 263: ok 12216 263: ok 12217 263: ok 12218 263: ok 12219 263: ok 12220 263: ok 12221 263: ok 12222 263: ok 12223 263: ok 12224 263: ok 12225 263: ok 12226 263: ok 12227 263: ok 12228 263: ok 12229 263: ok 12230 263: ok 12231 263: ok 12232 263: ok 12233 263: ok 12234 263: ok 12235 263: ok 12236 263: ok 12237 263: ok 12238 263: ok 12239 263: ok 12240 263: ok 12241 263: ok 12242 263: ok 12243 263: ok 12244 263: ok 12245 263: ok 12246 263: ok 12247 263: ok 12248 263: ok 12249 263: ok 12250 263: ok 12251 263: ok 12252 263: ok 12253 263: ok 12254 263: ok 12255 263: ok 12256 263: ok 12257 263: ok 12258 263: ok 12259 263: ok 12260 263: ok 12261 263: ok 12262 263: ok 12263 263: ok 12264 263: ok 12265 263: ok 12266 263: ok 12267 263: ok 12268 263: ok 12269 263: ok 12270 263: ok 12271 263: ok 12272 263: ok 12273 263: ok 12274 263: ok 12275 263: ok 12276 263: ok 12277 263: ok 12278 263: ok 12279 263: ok 12280 263: ok 12281 263: ok 12282 263: ok 12283 263: ok 12284 263: ok 12285 263: ok 12286 263: ok 12287 263: ok 12288 263: ok 12289 263: ok 12290 263: ok 12291 263: ok 12292 263: ok 12293 263: ok 12294 263: ok 12295 263: ok 12296 263: ok 12297 263: ok 12298 263: ok 12299 263: ok 12300 263: ok 12301 263: ok 12302 263: ok 12303 263: ok 12304 263: ok 12305 263: ok 12306 263: ok 12307 263: ok 12308 263: ok 12309 263: ok 12310 263: ok 12311 263: ok 12312 263: ok 12313 263: ok 12314 263: ok 12315 263: ok 12316 263: ok 12317 263: ok 12318 263: ok 12319 263: ok 12320 263: ok 12321 263: ok 12322 263: ok 12323 263: ok 12324 263: ok 12325 263: ok 12326 263: ok 12327 263: ok 12328 263: ok 12329 263: ok 12330 263: ok 12331 263: ok 12332 263: ok 12333 263: ok 12334 263: ok 12335 263: ok 12336 263: ok 12337 263: ok 12338 263: ok 12339 263: ok 12340 263: ok 12341 263: ok 12342 263: ok 12343 263: ok 12344 263: ok 12345 263: ok 12346 263: ok 12347 263: ok 12348 263: ok 12349 263: ok 12350 263: ok 12351 263: ok 12352 263: ok 12353 263: ok 12354 263: ok 12355 263: ok 12356 263: ok 12357 263: ok 12358 263: ok 12359 263: ok 12360 263: ok 12361 263: ok 12362 263: ok 12363 263: ok 12364 263: ok 12365 263: ok 12366 263: ok 12367 263: ok 12368 263: ok 12369 263: ok 12370 263: ok 12371 263: ok 12372 263: ok 12373 263: ok 12374 263: ok 12375 263: ok 12376 263: ok 12377 263: ok 12378 263: ok 12379 263: ok 12380 263: ok 12381 263: ok 12382 263: ok 12383 263: ok 12384 263: ok 12385 263: ok 12386 263: ok 12387 263: ok 12388 263: ok 12389 263: ok 12390 263: ok 12391 263: ok 12392 263: ok 12393 263: ok 12394 263: ok 12395 263: ok 12396 263: ok 12397 263: ok 12398 263: ok 12399 263: ok 12400 263: ok 12401 263: ok 12402 263: ok 12403 263: ok 12404 263: ok 12405 263: ok 12406 263: ok 12407 263: ok 12408 263: ok 12409 263: ok 12410 263: ok 12411 263: ok 12412 263: ok 12413 263: ok 12414 263: ok 12415 263: ok 12416 263: ok 12417 263: ok 12418 263: ok 12419 263: ok 12420 263: ok 12421 263: ok 12422 263: ok 12423 263: ok 12424 263: ok 12425 263: ok 12426 263: ok 12427 263: ok 12428 263: ok 12429 263: ok 12430 263: ok 12431 263: ok 12432 263: ok 12433 263: ok 12434 263: ok 12435 263: ok 12436 263: ok 12437 263: ok 12438 263: ok 12439 263: ok 12440 263: ok 12441 263: ok 12442 263: ok 12443 263: ok 12444 263: ok 12445 263: ok 12446 263: ok 12447 263: ok 12448 263: ok 12449 263: ok 12450 263: ok 12451 263: ok 12452 263: ok 12453 263: ok 12454 263: ok 12455 263: ok 12456 263: ok 12457 263: ok 12458 263: ok 12459 263: ok 12460 263: ok 12461 263: ok 12462 263: ok 12463 263: ok 12464 263: ok 12465 263: ok 12466 263: ok 12467 263: ok 12468 263: ok 12469 263: ok 12470 263: ok 12471 263: ok 12472 263: ok 12473 263: ok 12474 263: ok 12475 263: ok 12476 263: ok 12477 263: ok 12478 263: ok 12479 263: ok 12480 263: ok 12481 263: ok 12482 263: ok 12483 263: ok 12484 263: ok 12485 263: ok 12486 263: ok 12487 263: ok 12488 263: ok 12489 263: ok 12490 263: ok 12491 263: ok 12492 263: ok 12493 263: ok 12494 263: ok 12495 263: ok 12496 263: ok 12497 263: ok 12498 263: ok 12499 263: ok 12500 263: ok 12501 263: ok 12502 263: ok 12503 263: ok 12504 263: ok 12505 263: ok 12506 263: ok 12507 263: ok 12508 263: ok 12509 263: ok 12510 263: ok 12511 263: ok 12512 263: ok 12513 263: ok 12514 263: ok 12515 263: ok 12516 263: ok 12517 263: ok 12518 263: ok 12519 263: ok 12520 263: ok 12521 263: ok 12522 263: ok 12523 263: ok 12524 263: ok 12525 263: ok 12526 263: ok 12527 263: ok 12528 263: ok 12529 263: ok 12530 263: ok 12531 263: ok 12532 263: ok 12533 263: ok 12534 263: ok 12535 263: ok 12536 263: ok 12537 263: ok 12538 263: ok 12539 263: ok 12540 263: ok 12541 263: ok 12542 263: ok 12543 263: ok 12544 263: ok 12545 263: ok 12546 263: ok 12547 263: ok 12548 263: ok 12549 263: ok 12550 263: ok 12551 263: ok 12552 263: ok 12553 263: ok 12554 263: ok 12555 263: ok 12556 263: ok 12557 263: ok 12558 263: ok 12559 263: ok 12560 263: ok 12561 263: ok 12562 263: ok 12563 263: ok 12564 263: ok 12565 263: ok 12566 263: ok 12567 263: ok 12568 263: ok 12569 263: ok 12570 263: ok 12571 263: ok 12572 263: ok 12573 263: ok 12574 263: ok 12575 263: ok 12576 263: ok 12577 263: ok 12578 263: ok 12579 263: ok 12580 263: ok 12581 263: ok 12582 263: ok 12583 263: ok 12584 263: ok 12585 263: ok 12586 263: ok 12587 263: ok 12588 263: ok 12589 263: ok 12590 263: ok 12591 263: ok 12592 263: ok 12593 263: ok 12594 263: ok 12595 263: ok 12596 263: ok 12597 263: ok 12598 263: ok 12599 263: ok 12600 263: ok 12601 263: ok 12602 263: ok 12603 263: ok 12604 263: ok 12605 263: ok 12606 263: ok 12607 263: ok 12608 263: ok 12609 263: ok 12610 263: ok 12611 263: ok 12612 263: ok 12613 263: ok 12614 263: ok 12615 263: ok 12616 263: ok 12617 263: ok 12618 263: ok 12619 263: ok 12620 263: ok 12621 263: ok 12622 263: ok 12623 263: ok 12624 263: ok 12625 263: ok 12626 263: ok 12627 263: ok 12628 263: ok 12629 263: ok 12630 263: ok 12631 263: ok 12632 263: ok 12633 263: ok 12634 263: ok 12635 263: ok 12636 263: ok 12637 263: ok 12638 263: ok 12639 263: ok 12640 263: ok 12641 263: ok 12642 263: ok 12643 263: ok 12644 263: ok 12645 263: ok 12646 263: ok 12647 263: ok 12648 263: ok 12649 263: ok 12650 263: ok 12651 263: ok 12652 263: ok 12653 263: ok 12654 263: ok 12655 263: ok 12656 263: ok 12657 263: ok 12658 263: ok 12659 263: ok 12660 263: ok 12661 263: ok 12662 263: ok 12663 263: ok 12664 263: ok 12665 263: ok 12666 263: ok 12667 263: ok 12668 263: ok 12669 263: ok 12670 263: ok 12671 263: ok 12672 263: ok 12673 263: ok 12674 263: ok 12675 263: ok 12676 263: ok 12677 263: ok 12678 263: ok 12679 263: ok 12680 263: ok 12681 263: ok 12682 263: ok 12683 263: ok 12684 263: ok 12685 263: ok 12686 263: ok 12687 263: ok 12688 263: ok 12689 263: ok 12690 263: ok 12691 263: ok 12692 263: ok 12693 263: ok 12694 263: ok 12695 263: ok 12696 263: ok 12697 263: ok 12698 263: ok 12699 263: ok 12700 263: ok 12701 263: ok 12702 263: ok 12703 263: ok 12704 263: ok 12705 263: ok 12706 263: ok 12707 263: ok 12708 263: ok 12709 263: ok 12710 263: ok 12711 263: ok 12712 263: ok 12713 263: ok 12714 263: ok 12715 263: ok 12716 263: ok 12717 263: ok 12718 263: ok 12719 263: ok 12720 263: ok 12721 263: ok 12722 263: ok 12723 263: ok 12724 263: ok 12725 263: ok 12726 263: ok 12727 263: ok 12728 263: ok 12729 263: ok 12730 263: ok 12731 263: ok 12732 263: ok 12733 263: ok 12734 263: ok 12735 263: ok 12736 263: ok 12737 263: ok 12738 263: ok 12739 263: ok 12740 263: ok 12741 263: ok 12742 263: ok 12743 263: ok 12744 263: ok 12745 263: ok 12746 263: ok 12747 263: ok 12748 263: ok 12749 263: ok 12750 263: ok 12751 263: ok 12752 263: ok 12753 263: ok 12754 263: ok 12755 263: ok 12756 263: ok 12757 263: ok 12758 263: ok 12759 263: ok 12760 263: ok 12761 263: ok 12762 263: ok 12763 263: ok 12764 263: ok 12765 263: ok 12766 263: ok 12767 263: ok 12768 263: ok 12769 263: ok 12770 263: ok 12771 263: ok 12772 263: ok 12773 263: ok 12774 263: ok 12775 263: ok 12776 263: ok 12777 263: ok 12778 263: ok 12779 263: ok 12780 263: ok 12781 263: ok 12782 263: ok 12783 263: ok 12784 263: ok 12785 263: ok 12786 263: ok 12787 263: ok 12788 263: ok 12789 263: ok 12790 263: ok 12791 263: ok 12792 263: ok 12793 263: ok 12794 263: ok 12795 263: ok 12796 263: ok 12797 263: ok 12798 263: ok 12799 263: ok 12800 263: ok 12801 263: ok 12802 263: ok 12803 263: ok 12804 263: ok 12805 263: ok 12806 263: ok 12807 263: ok 12808 263: ok 12809 263: ok 12810 263: ok 12811 263: ok 12812 263: ok 12813 263: ok 12814 263: ok 12815 263: ok 12816 263: ok 12817 263: ok 12818 263: ok 12819 263: ok 12820 263: ok 12821 263: ok 12822 263: ok 12823 263: ok 12824 263: ok 12825 263: ok 12826 263: ok 12827 263: ok 12828 263: ok 12829 263: ok 12830 263: ok 12831 263: ok 12832 263: ok 12833 263: ok 12834 263: ok 12835 263: ok 12836 263: ok 12837 263: ok 12838 263: ok 12839 263: ok 12840 263: ok 12841 263: ok 12842 263: ok 12843 263: ok 12844 263: ok 12845 263: ok 12846 263: ok 12847 263: ok 12848 263: ok 12849 263: ok 12850 263: ok 12851 263: ok 12852 263: ok 12853 263: ok 12854 263: ok 12855 263: ok 12856 263: ok 12857 263: ok 12858 263: ok 12859 263: ok 12860 263: ok 12861 263: ok 12862 263: ok 12863 263: ok 12864 263: ok 12865 263: ok 12866 263: ok 12867 263: ok 12868 263: ok 12869 263: ok 12870 263: ok 12871 263: ok 12872 263: ok 12873 263: ok 12874 263: ok 12875 263: ok 12876 263: ok 12877 263: ok 12878 263: ok 12879 263: ok 12880 263: ok 12881 263: ok 12882 263: ok 12883 263: ok 12884 263: ok 12885 263: ok 12886 263: ok 12887 263: ok 12888 263: ok 12889 263: ok 12890 263: ok 12891 263: ok 12892 263: ok 12893 263: ok 12894 263: ok 12895 263: ok 12896 263: ok 12897 263: ok 12898 263: ok 12899 263: ok 12900 263: ok 12901 263: ok 12902 263: ok 12903 263: ok 12904 263: ok 12905 263: ok 12906 263: ok 12907 263: ok 12908 263: ok 12909 263: ok 12910 263: ok 12911 263: ok 12912 263: ok 12913 263: ok 12914 263: ok 12915 263: ok 12916 263: ok 12917 263: ok 12918 263: ok 12919 263: ok 12920 263: ok 12921 263: ok 12922 263: ok 12923 263: ok 12924 263: ok 12925 263: ok 12926 263: ok 12927 263: ok 12928 263: ok 12929 263: ok 12930 263: ok 12931 263: ok 12932 263: ok 12933 263: ok 12934 263: ok 12935 263: ok 12936 263: ok 12937 263: ok 12938 263: ok 12939 263: ok 12940 263: ok 12941 263: ok 12942 263: ok 12943 263: ok 12944 263: ok 12945 263: ok 12946 263: ok 12947 263: ok 12948 263: ok 12949 263: ok 12950 263: ok 12951 263: ok 12952 263: ok 12953 263: ok 12954 263: ok 12955 263: ok 12956 263: ok 12957 263: ok 12958 263: ok 12959 263: ok 12960 263: ok 12961 263: ok 12962 263: ok 12963 263: ok 12964 263: ok 12965 263: ok 12966 263: ok 12967 263: ok 12968 263: ok 12969 263: ok 12970 263: ok 12971 263: ok 12972 263: ok 12973 263: ok 12974 263: ok 12975 263: ok 12976 263: ok 12977 263: ok 12978 263: ok 12979 263: ok 12980 263: ok 12981 263: ok 12982 263: ok 12983 263: ok 12984 263: ok 12985 263: ok 12986 263: ok 12987 263: ok 12988 263: ok 12989 263: ok 12990 263: ok 12991 263: ok 12992 263: ok 12993 263: ok 12994 263: ok 12995 263: ok 12996 263: ok 12997 263: ok 12998 263: ok 12999 263: ok 13000 263: ok 13001 263: ok 13002 263: ok 13003 263: ok 13004 263: ok 13005 263: ok 13006 263: ok 13007 263: ok 13008 263: ok 13009 263: ok 13010 263: ok 13011 263: ok 13012 263: ok 13013 263: ok 13014 263: ok 13015 263: ok 13016 263: ok 13017 263: ok 13018 263: ok 13019 263: ok 13020 263: ok 13021 263: ok 13022 263: ok 13023 263: ok 13024 263: ok 13025 263: ok 13026 263: ok 13027 263: ok 13028 263: ok 13029 263: ok 13030 263: ok 13031 263: ok 13032 263: ok 13033 263: ok 13034 263: ok 13035 263: ok 13036 263: ok 13037 263: ok 13038 263: ok 13039 263: ok 13040 263: ok 13041 263: ok 13042 263: ok 13043 263: ok 13044 263: ok 13045 263: ok 13046 263: ok 13047 263: ok 13048 263: ok 13049 263: ok 13050 263: ok 13051 263: ok 13052 263: ok 13053 263: ok 13054 263: ok 13055 263: ok 13056 263: ok 13057 263: ok 13058 263: ok 13059 263: ok 13060 263: ok 13061 263: ok 13062 263: ok 13063 263: ok 13064 263: ok 13065 263: ok 13066 263: ok 13067 263: ok 13068 263: ok 13069 263: ok 13070 263: ok 13071 263: ok 13072 263: ok 13073 263: ok 13074 263: ok 13075 263: ok 13076 263: ok 13077 263: ok 13078 263: ok 13079 263: ok 13080 263: ok 13081 263: ok 13082 263: ok 13083 263: ok 13084 263: ok 13085 263: ok 13086 263: ok 13087 263: ok 13088 263: ok 13089 263: ok 13090 263: ok 13091 263: ok 13092 263: ok 13093 263: ok 13094 263: ok 13095 263: ok 13096 263: ok 13097 263: ok 13098 263: ok 13099 263: ok 13100 263: ok 13101 263: ok 13102 263: ok 13103 263: ok 13104 263: ok 13105 263: ok 13106 263: ok 13107 263: ok 13108 263: ok 13109 263: ok 13110 263: ok 13111 263: ok 13112 263: ok 13113 263: ok 13114 263: ok 13115 263: ok 13116 263: ok 13117 263: ok 13118 263: ok 13119 263: ok 13120 263: ok 13121 263: ok 13122 263: ok 13123 263: ok 13124 263: ok 13125 263: ok 13126 263: ok 13127 263: ok 13128 263: ok 13129 263: ok 13130 263: ok 13131 263: ok 13132 263: ok 13133 263: ok 13134 263: ok 13135 263: ok 13136 263: ok 13137 263: ok 13138 263: ok 13139 263: ok 13140 263: ok 13141 263: ok 13142 263: ok 13143 263: ok 13144 263: ok 13145 263: ok 13146 263: ok 13147 263: ok 13148 263: ok 13149 263: ok 13150 263: ok 13151 263: ok 13152 263: ok 13153 263: ok 13154 263: ok 13155 263: ok 13156 263: ok 13157 263: ok 13158 263: ok 13159 263: ok 13160 263: ok 13161 263: ok 13162 263: ok 13163 263: ok 13164 263: ok 13165 263: ok 13166 263: ok 13167 263: ok 13168 263: ok 13169 263: ok 13170 263: ok 13171 263: ok 13172 263: ok 13173 263: ok 13174 263: ok 13175 263: ok 13176 263: ok 13177 263: ok 13178 263: ok 13179 263: ok 13180 263: ok 13181 263: ok 13182 263: ok 13183 263: ok 13184 263: ok 13185 263: ok 13186 263: ok 13187 263: ok 13188 263: ok 13189 263: ok 13190 263: ok 13191 263: ok 13192 263: ok 13193 263: ok 13194 263: ok 13195 263: ok 13196 263: ok 13197 263: ok 13198 263: ok 13199 263: ok 13200 263: ok 13201 263: ok 13202 263: ok 13203 263: ok 13204 263: ok 13205 263: ok 13206 263: ok 13207 263: ok 13208 263: ok 13209 263: ok 13210 263: ok 13211 263: ok 13212 263: ok 13213 263: ok 13214 263: ok 13215 263: ok 13216 263: ok 13217 263: ok 13218 263: ok 13219 263: ok 13220 263: ok 13221 263: ok 13222 263: ok 13223 263: ok 13224 263: ok 13225 263: ok 13226 263: ok 13227 263: ok 13228 263: ok 13229 263: ok 13230 263: ok 13231 263: ok 13232 263: ok 13233 263: ok 13234 263: ok 13235 263: ok 13236 263: ok 13237 263: ok 13238 263: ok 13239 263: ok 13240 263: ok 13241 263: ok 13242 263: ok 13243 263: ok 13244 263: ok 13245 263: ok 13246 263: ok 13247 263: ok 13248 263: ok 13249 263: ok 13250 263: ok 13251 263: ok 13252 263: ok 13253 263: ok 13254 263: ok 13255 263: ok 13256 263: ok 13257 263: ok 13258 263: ok 13259 263: ok 13260 263: ok 13261 263: ok 13262 263: ok 13263 263: ok 13264 263: ok 13265 263: ok 13266 263: ok 13267 263: ok 13268 263: ok 13269 263: ok 13270 263: ok 13271 263: ok 13272 263: ok 13273 263: ok 13274 263: ok 13275 263: ok 13276 263: ok 13277 263: ok 13278 263: ok 13279 263: ok 13280 263: ok 13281 263: ok 13282 263: ok 13283 263: ok 13284 263: ok 13285 263: ok 13286 263: ok 13287 263: ok 13288 263: ok 13289 263: ok 13290 263: ok 13291 263: ok 13292 263: ok 13293 263: ok 13294 263: ok 13295 263: ok 13296 263: ok 13297 263: ok 13298 263: ok 13299 263: ok 13300 263: ok 13301 263: ok 13302 263: ok 13303 263: ok 13304 263: ok 13305 263: ok 13306 263: ok 13307 263: ok 13308 263: ok 13309 263: ok 13310 263: ok 13311 263: ok 13312 263: ok 13313 263: ok 13314 263: ok 13315 263: ok 13316 263: ok 13317 263: ok 13318 263: ok 13319 263: ok 13320 263: ok 13321 263: ok 13322 263: ok 13323 263: ok 13324 263: ok 13325 263: ok 13326 263: ok 13327 263: ok 13328 263: ok 13329 263: ok 13330 263: ok 13331 263: ok 13332 263: ok 13333 263: ok 13334 263: ok 13335 263: ok 13336 263: ok 13337 263: ok 13338 263: ok 13339 263: ok 13340 263: ok 13341 263: ok 13342 263: ok 13343 263: ok 13344 263: ok 13345 263: ok 13346 263: ok 13347 263: ok 13348 263: ok 13349 263: ok 13350 263: ok 13351 263: ok 13352 263: ok 13353 263: ok 13354 263: ok 13355 263: ok 13356 263: ok 13357 263: ok 13358 263: ok 13359 263: ok 13360 263: ok 13361 263: ok 13362 263: ok 13363 263: ok 13364 263: ok 13365 263: ok 13366 263: ok 13367 263: ok 13368 263: ok 13369 263: ok 13370 263: ok 13371 263: ok 13372 263: ok 13373 263: ok 13374 263: ok 13375 263: ok 13376 263: ok 13377 263: ok 13378 263: ok 13379 263: ok 13380 263: ok 13381 263: ok 13382 263: ok 13383 263: ok 13384 263: ok 13385 263: ok 13386 263: ok 13387 263: ok 13388 263: ok 13389 263: ok 13390 263: ok 13391 263: ok 13392 263: ok 13393 263: ok 13394 263: ok 13395 263: ok 13396 263: ok 13397 263: ok 13398 263: ok 13399 263: ok 13400 263: ok 13401 263: ok 13402 263: ok 13403 263: ok 13404 263: ok 13405 263: ok 13406 263: ok 13407 263: ok 13408 263: ok 13409 263: ok 13410 263: ok 13411 263: ok 13412 263: ok 13413 263: ok 13414 263: ok 13415 263: ok 13416 263: ok 13417 263: ok 13418 263: ok 13419 263: ok 13420 263: ok 13421 263: ok 13422 263: ok 13423 263: ok 13424 263: ok 13425 263: ok 13426 263: ok 13427 263: ok 13428 263: ok 13429 263: ok 13430 263: ok 13431 263: ok 13432 263: ok 13433 263: ok 13434 263: ok 13435 263: ok 13436 263: ok 13437 263: ok 13438 263: ok 13439 263: ok 13440 263: ok 13441 263: ok 13442 263: ok 13443 263: ok 13444 263: ok 13445 263: ok 13446 263: ok 13447 263: ok 13448 263: ok 13449 263: ok 13450 263: ok 13451 263: ok 13452 263: ok 13453 263: ok 13454 263: ok 13455 263: ok 13456 263: ok 13457 263: ok 13458 263: ok 13459 263: ok 13460 263: ok 13461 263: ok 13462 263: ok 13463 263: ok 13464 263: ok 13465 263: ok 13466 263: ok 13467 263: ok 13468 263: ok 13469 263: ok 13470 263: ok 13471 263: ok 13472 263: ok 13473 263: ok 13474 263: ok 13475 263: ok 13476 263: ok 13477 263: ok 13478 263: ok 13479 263: ok 13480 263: ok 13481 263: ok 13482 263: ok 13483 263: ok 13484 263: ok 13485 263: ok 13486 263: ok 13487 263: ok 13488 263: ok 13489 263: ok 13490 263: ok 13491 263: ok 13492 263: ok 13493 263: ok 13494 263: ok 13495 263: ok 13496 263: ok 13497 263: ok 13498 263: ok 13499 263: ok 13500 263: ok 13501 263: ok 13502 263: ok 13503 263: ok 13504 263: ok 13505 263: ok 13506 263: ok 13507 263: ok 13508 263: ok 13509 263: ok 13510 263: ok 13511 263: ok 13512 263: ok 13513 263: ok 13514 263: ok 13515 263: ok 13516 263: ok 13517 263: ok 13518 263: ok 13519 263: ok 13520 263: ok 13521 263: ok 13522 263: ok 13523 263: ok 13524 263: ok 13525 263: ok 13526 263: ok 13527 263: ok 13528 263: ok 13529 263: ok 13530 263: ok 13531 263: ok 13532 263: ok 13533 263: ok 13534 263: ok 13535 263: ok 13536 263: ok 13537 263: ok 13538 263: ok 13539 263: ok 13540 263: ok 13541 263: ok 13542 263: ok 13543 263: ok 13544 263: ok 13545 263: ok 13546 263: ok 13547 263: ok 13548 263: ok 13549 263: ok 13550 263: ok 13551 263: ok 13552 263: ok 13553 263: ok 13554 263: ok 13555 263: ok 13556 263: ok 13557 263: ok 13558 263: ok 13559 263: ok 13560 263: ok 13561 263: ok 13562 263: ok 13563 263: ok 13564 263: ok 13565 263: ok 13566 263: ok 13567 263: ok 13568 263: ok 13569 263: ok 13570 263: ok 13571 263: ok 13572 263: ok 13573 263: ok 13574 263: ok 13575 263: ok 13576 263: ok 13577 263: ok 13578 263: ok 13579 263: ok 13580 263: ok 13581 263: ok 13582 263: ok 13583 263: ok 13584 263: ok 13585 263: ok 13586 263: ok 13587 263: ok 13588 263: ok 13589 263: ok 13590 263: ok 13591 263: ok 13592 263: ok 13593 263: ok 13594 263: ok 13595 263: ok 13596 263: ok 13597 263: ok 13598 263: ok 13599 263: ok 13600 263: ok 13601 263: ok 13602 263: ok 13603 263: ok 13604 263: ok 13605 263: ok 13606 263: ok 13607 263: ok 13608 263: ok 13609 263: ok 13610 263: ok 13611 263: ok 13612 263: ok 13613 263: ok 13614 263: ok 13615 263: ok 13616 263: ok 13617 263: ok 13618 263: ok 13619 263: ok 13620 263: ok 13621 263: ok 13622 263: ok 13623 263: ok 13624 263: ok 13625 263: ok 13626 263: ok 13627 263: ok 13628 263: ok 13629 263: ok 13630 263: ok 13631 263: ok 13632 263: ok 13633 263: ok 13634 263: ok 13635 263: ok 13636 263: ok 13637 263: ok 13638 263: ok 13639 263: ok 13640 263: ok 13641 263: ok 13642 263: ok 13643 263: ok 13644 263: ok 13645 263: ok 13646 263: ok 13647 263: ok 13648 263: ok 13649 263: ok 13650 263: ok 13651 263: ok 13652 263: ok 13653 263: ok 13654 263: ok 13655 263: ok 13656 263: ok 13657 263: ok 13658 263: ok 13659 263: ok 13660 263: ok 13661 263: ok 13662 263: ok 13663 263: ok 13664 263: ok 13665 263: ok 13666 263: ok 13667 263: ok 13668 263: ok 13669 263: ok 13670 263: ok 13671 263: ok 13672 263: ok 13673 263: ok 13674 263: ok 13675 263: ok 13676 263: ok 13677 263: ok 13678 263: ok 13679 263: ok 13680 263: ok 13681 263: ok 13682 263: ok 13683 263: ok 13684 263: ok 13685 263: ok 13686 263: ok 13687 263: ok 13688 263: ok 13689 263: ok 13690 263: ok 13691 263: ok 13692 263: ok 13693 263: ok 13694 263: ok 13695 263: ok 13696 263: ok 13697 263: ok 13698 263: ok 13699 263: ok 13700 263: ok 13701 263: ok 13702 263: ok 13703 263: ok 13704 263: ok 13705 263: ok 13706 263: ok 13707 263: ok 13708 263: ok 13709 263: ok 13710 263: ok 13711 263: ok 13712 263: ok 13713 263: ok 13714 263: ok 13715 263: ok 13716 263: ok 13717 263: ok 13718 263: ok 13719 263: ok 13720 263: ok 13721 263: ok 13722 263: ok 13723 263: ok 13724 263: ok 13725 263: ok 13726 263: ok 13727 263: ok 13728 263: ok 13729 263: ok 13730 263: ok 13731 263: ok 13732 263: ok 13733 263: ok 13734 263: ok 13735 263: ok 13736 263: ok 13737 263: ok 13738 263: ok 13739 263: ok 13740 263: ok 13741 263: ok 13742 263: ok 13743 263: ok 13744 263: ok 13745 263: ok 13746 263: ok 13747 263: ok 13748 263: ok 13749 263: ok 13750 263: ok 13751 263: ok 13752 263: ok 13753 263: ok 13754 263: ok 13755 263: ok 13756 263: ok 13757 263: ok 13758 263: ok 13759 263: ok 13760 263: ok 13761 263: ok 13762 263: ok 13763 263: ok 13764 263: ok 13765 263: ok 13766 263: ok 13767 263: ok 13768 263: ok 13769 263: ok 13770 263: ok 13771 263: ok 13772 263: ok 13773 263: ok 13774 263: ok 13775 263: ok 13776 263: ok 13777 263: ok 13778 263: ok 13779 263: ok 13780 263: ok 13781 263: ok 13782 263: ok 13783 263: ok 13784 263: ok 13785 263: ok 13786 263: ok 13787 263: ok 13788 263: ok 13789 263: ok 13790 263: ok 13791 263: ok 13792 263: ok 13793 263: ok 13794 263: ok 13795 263: ok 13796 263: ok 13797 263: ok 13798 263: ok 13799 263: ok 13800 263: ok 13801 263: ok 13802 263: ok 13803 263: ok 13804 263: ok 13805 263: ok 13806 263: ok 13807 263: ok 13808 263: ok 13809 263: ok 13810 263: ok 13811 263: ok 13812 263: ok 13813 263: ok 13814 263: ok 13815 263: ok 13816 263: ok 13817 263: ok 13818 263: ok 13819 263: ok 13820 263: ok 13821 263: ok 13822 263: ok 13823 263: ok 13824 263: ok 13825 263: ok 13826 263: ok 13827 263: ok 13828 263: ok 13829 263: ok 13830 263: ok 13831 263: ok 13832 263: ok 13833 263: ok 13834 263: ok 13835 263: ok 13836 263: ok 13837 263: ok 13838 263: ok 13839 263: ok 13840 263: ok 13841 263: ok 13842 263: ok 13843 263: ok 13844 263: ok 13845 263: ok 13846 263: ok 13847 263: ok 13848 263: ok 13849 263: ok 13850 263: ok 13851 263: ok 13852 263: ok 13853 263: ok 13854 263: ok 13855 263: ok 13856 263: ok 13857 263: ok 13858 263: ok 13859 263: ok 13860 263: ok 13861 263: ok 13862 263: ok 13863 263: ok 13864 263: ok 13865 263: ok 13866 263: ok 13867 263: ok 13868 263: ok 13869 263: ok 13870 263: ok 13871 263: ok 13872 263: ok 13873 263: ok 13874 263: ok 13875 263: ok 13876 263: ok 13877 263: ok 13878 263: ok 13879 263: ok 13880 263: ok 13881 263: ok 13882 263: ok 13883 263: ok 13884 263: ok 13885 263: ok 13886 263: ok 13887 263: ok 13888 263: ok 13889 263: ok 13890 263: ok 13891 263: ok 13892 263: ok 13893 263: ok 13894 263: ok 13895 263: ok 13896 263: ok 13897 263: ok 13898 263: ok 13899 263: ok 13900 263: ok 13901 263: ok 13902 263: ok 13903 263: ok 13904 263: ok 13905 263: ok 13906 263: ok 13907 263: ok 13908 263: ok 13909 263: ok 13910 263: ok 13911 263: ok 13912 263: ok 13913 263: ok 13914 263: ok 13915 263: ok 13916 263: ok 13917 263: ok 13918 263: ok 13919 263: ok 13920 263: ok 13921 263: ok 13922 263: ok 13923 263: ok 13924 263: ok 13925 263: ok 13926 263: ok 13927 263: ok 13928 263: ok 13929 263: ok 13930 263: ok 13931 263: ok 13932 263: ok 13933 263: ok 13934 263: ok 13935 263: ok 13936 263: ok 13937 263: ok 13938 263: ok 13939 263: ok 13940 263: ok 13941 263: ok 13942 263: ok 13943 263: ok 13944 263: ok 13945 263: ok 13946 263: ok 13947 263: ok 13948 263: ok 13949 263: ok 13950 263: ok 13951 263: ok 13952 263: ok 13953 263: ok 13954 263: ok 13955 263: ok 13956 263: ok 13957 263: ok 13958 263: ok 13959 263: ok 13960 263: ok 13961 263: ok 13962 263: ok 13963 263: ok 13964 263: ok 13965 263: ok 13966 263: ok 13967 263: ok 13968 263: ok 13969 263: ok 13970 263: ok 13971 263: ok 13972 263: ok 13973 263: ok 13974 263: ok 13975 263: ok 13976 263: ok 13977 263: ok 13978 263: ok 13979 263: ok 13980 263: ok 13981 263: ok 13982 263: ok 13983 263: ok 13984 263: ok 13985 263: ok 13986 263: ok 13987 263: ok 13988 263: ok 13989 263: ok 13990 263: ok 13991 263: ok 13992 263: ok 13993 263: ok 13994 263: ok 13995 263: ok 13996 263: ok 13997 263: ok 13998 263: ok 13999 263: ok 14000 263: ok 14001 263: ok 14002 263: ok 14003 263: ok 14004 263: ok 14005 263: ok 14006 263: ok 14007 263: ok 14008 263: ok 14009 263: ok 14010 263: ok 14011 263: ok 14012 263: ok 14013 263: ok 14014 263: ok 14015 263: ok 14016 263: ok 14017 263: ok 14018 263: ok 14019 263: ok 14020 263: ok 14021 263: ok 14022 263: ok 14023 263: ok 14024 263: ok 14025 263: ok 14026 263: ok 14027 263: ok 14028 263: ok 14029 263: ok 14030 263: ok 14031 263: ok 14032 263: ok 14033 263: ok 14034 263: ok 14035 263: ok 14036 263: ok 14037 263: ok 14038 263: ok 14039 263: ok 14040 263: ok 14041 263: ok 14042 263: ok 14043 263: ok 14044 263: ok 14045 263: ok 14046 263: ok 14047 263: ok 14048 263: ok 14049 263: ok 14050 263: ok 14051 263: ok 14052 263: ok 14053 263: ok 14054 263: ok 14055 263: ok 14056 263: ok 14057 263: ok 14058 263: ok 14059 263: ok 14060 263: ok 14061 263: ok 14062 263: ok 14063 263: ok 14064 263: ok 14065 263: ok 14066 263: ok 14067 263: ok 14068 263: ok 14069 263: ok 14070 263: ok 14071 263: ok 14072 263: ok 14073 263: ok 14074 263: ok 14075 263: ok 14076 263: ok 14077 263: ok 14078 263: ok 14079 263: ok 14080 263: ok 14081 263: ok 14082 263: ok 14083 263: ok 14084 263: ok 14085 263: ok 14086 263: ok 14087 263: ok 14088 263: ok 14089 263: ok 14090 263: ok 14091 263: ok 14092 263: ok 14093 263: ok 14094 263: ok 14095 263: ok 14096 263: ok 14097 263: ok 14098 263: ok 14099 263: ok 14100 263: ok 14101 263: ok 14102 263: ok 14103 263: ok 14104 263: ok 14105 263: ok 14106 263: ok 14107 263: ok 14108 263: ok 14109 263: ok 14110 263: ok 14111 263: ok 14112 263: ok 14113 263: ok 14114 263: ok 14115 263: ok 14116 263: ok 14117 263: ok 14118 263: ok 14119 263: ok 14120 263: ok 14121 263: ok 14122 263: ok 14123 263: ok 14124 263: ok 14125 263: ok 14126 263: ok 14127 263: ok 14128 263: ok 14129 263: ok 14130 263: ok 14131 263: ok 14132 263: ok 14133 263: ok 14134 263: ok 14135 263: ok 14136 263: ok 14137 263: ok 14138 263: ok 14139 263: ok 14140 263: ok 14141 263: ok 14142 263: ok 14143 263: ok 14144 263: ok 14145 263: ok 14146 263: ok 14147 263: ok 14148 263: ok 14149 263: ok 14150 263: ok 14151 263: ok 14152 263: ok 14153 263: ok 14154 263: ok 14155 263: ok 14156 263: ok 14157 263: ok 14158 263: ok 14159 263: ok 14160 263: ok 14161 263: ok 14162 263: ok 14163 263: ok 14164 263: ok 14165 263: ok 14166 263: ok 14167 263: ok 14168 263: ok 14169 263: ok 14170 263: ok 14171 263: ok 14172 263: ok 14173 263: ok 14174 263: ok 14175 263: ok 14176 263: ok 14177 263: ok 14178 263: ok 14179 263: ok 14180 263: ok 14181 263: ok 14182 263: ok 14183 263: ok 14184 263: ok 14185 263: ok 14186 263: ok 14187 263: ok 14188 263: ok 14189 263: ok 14190 263: ok 14191 263: ok 14192 263: ok 14193 263: ok 14194 263: ok 14195 263: ok 14196 263: ok 14197 263: ok 14198 263: ok 14199 263: ok 14200 263: ok 14201 263: ok 14202 263: ok 14203 263: ok 14204 263: ok 14205 263: ok 14206 263: ok 14207 263: ok 14208 263: ok 14209 263: ok 14210 263: ok 14211 263: ok 14212 263: ok 14213 263: ok 14214 263: ok 14215 263: ok 14216 263: ok 14217 263: ok 14218 263: ok 14219 263: ok 14220 263: ok 14221 263: ok 14222 263: ok 14223 263: ok 14224 263: ok 14225 263: ok 14226 263: ok 14227 263: ok 14228 263: ok 14229 263: ok 14230 263: ok 14231 263: ok 14232 263: ok 14233 263: ok 14234 263: ok 14235 263: ok 14236 263: ok 14237 263: ok 14238 263: ok 14239 263: ok 14240 263: ok 14241 263: ok 14242 263: ok 14243 263: ok 14244 263: ok 14245 263: ok 14246 263: ok 14247 263: ok 14248 263: ok 14249 263: ok 14250 263: ok 14251 263: ok 14252 263: ok 14253 263: ok 14254 263: ok 14255 263: ok 14256 263: ok 14257 263: ok 14258 263: ok 14259 263: ok 14260 263: ok 14261 263: ok 14262 263: ok 14263 263: ok 14264 263: ok 14265 263: ok 14266 263: ok 14267 263: ok 14268 263: ok 14269 263: ok 14270 263: ok 14271 263: ok 14272 263: ok 14273 263: ok 14274 263: ok 14275 263: ok 14276 263: ok 14277 263: ok 14278 263: ok 14279 263: ok 14280 263: ok 14281 263: ok 14282 263: ok 14283 263: ok 14284 263: ok 14285 263: ok 14286 263: ok 14287 263: ok 14288 263: ok 14289 263: ok 14290 263: ok 14291 263: ok 14292 263: ok 14293 263: ok 14294 263: ok 14295 263: ok 14296 263: ok 14297 263: ok 14298 263: ok 14299 263: ok 14300 263: ok 14301 263: ok 14302 263: ok 14303 263: ok 14304 263: ok 14305 263: ok 14306 263: ok 14307 263: ok 14308 263: ok 14309 263: ok 14310 263: ok 14311 263: ok 14312 263: ok 14313 263: ok 14314 263: ok 14315 263: ok 14316 263: ok 14317 263: ok 14318 263: ok 14319 263: ok 14320 263: ok 14321 263: ok 14322 263: ok 14323 263: ok 14324 263: ok 14325 263: ok 14326 263: ok 14327 263: ok 14328 263: ok 14329 263: ok 14330 263: ok 14331 263: ok 14332 263: ok 14333 263: ok 14334 263: ok 14335 263: ok 14336 263: ok 14337 263: ok 14338 263: ok 14339 263: ok 14340 263: ok 14341 263: ok 14342 263: ok 14343 263: ok 14344 263: ok 14345 263: ok 14346 263: ok 14347 263: ok 14348 263: ok 14349 263: ok 14350 263: ok 14351 263: ok 14352 263: ok 14353 263: ok 14354 263: ok 14355 263: ok 14356 263: ok 14357 263: ok 14358 263: ok 14359 263: ok 14360 263: ok 14361 263: ok 14362 263: ok 14363 263: ok 14364 263: ok 14365 263: ok 14366 263: ok 14367 263: ok 14368 263: ok 14369 263: ok 14370 263: ok 14371 263: ok 14372 263: ok 14373 263: ok 14374 263: ok 14375 263: ok 14376 263: ok 14377 263: ok 14378 263: ok 14379 263: ok 14380 263: ok 14381 263: ok 14382 263: ok 14383 263: ok 14384 263: ok 14385 263: ok 14386 263: ok 14387 263: ok 14388 263: ok 14389 263: ok 14390 263: ok 14391 263: ok 14392 263: ok 14393 263: ok 14394 263: ok 14395 263: ok 14396 263: ok 14397 263: ok 14398 263: ok 14399 263: ok 14400 263: ok 14401 263: ok 14402 263: ok 14403 263: ok 14404 263: ok 14405 263: ok 14406 263: ok 14407 263: ok 14408 263: ok 14409 263: ok 14410 263: ok 14411 263: ok 14412 263: ok 14413 263: ok 14414 263: ok 14415 263: ok 14416 263: ok 14417 263: ok 14418 263: ok 14419 263: ok 14420 263: ok 14421 263: ok 14422 263: ok 14423 263: ok 14424 263: ok 14425 263: ok 14426 263: ok 14427 263: ok 14428 263: ok 14429 263: ok 14430 263: ok 14431 263: ok 14432 263: ok 14433 263: ok 14434 263: ok 14435 263: ok 14436 263: ok 14437 263: ok 14438 263: ok 14439 263: ok 14440 263: ok 14441 263: ok 14442 263: ok 14443 263: ok 14444 263: ok 14445 263: ok 14446 263: ok 14447 263: ok 14448 263: ok 14449 263: ok 14450 263: ok 14451 263: ok 14452 263: ok 14453 263: ok 14454 263: ok 14455 263: ok 14456 263: ok 14457 263: ok 14458 263: ok 14459 263: ok 14460 263: ok 14461 263: ok 14462 263: ok 14463 263: ok 14464 263: ok 14465 263: ok 14466 263: ok 14467 263: ok 14468 263: ok 14469 263: ok 14470 263: ok 14471 263: ok 14472 263: ok 14473 263: ok 14474 263: ok 14475 263: ok 14476 263: ok 14477 263: ok 14478 263: ok 14479 263: ok 14480 263: ok 14481 263: ok 14482 263: ok 14483 263: ok 14484 263: ok 14485 263: ok 14486 263: ok 14487 263: ok 14488 263: ok 14489 263: ok 14490 263: ok 14491 263: ok 14492 263: ok 14493 263: ok 14494 263: ok 14495 263: ok 14496 263: ok 14497 263: ok 14498 263: ok 14499 263: ok 14500 263: ok 14501 263: ok 14502 263: ok 14503 263: ok 14504 263: ok 14505 263: ok 14506 263: ok 14507 263: ok 14508 263: ok 14509 263: ok 14510 263: ok 14511 263: ok 14512 263: ok 14513 263: ok 14514 263: ok 14515 263: ok 14516 263: ok 14517 263: ok 14518 263: ok 14519 263: ok 14520 263: ok 14521 263: ok 14522 263: ok 14523 263: ok 14524 263: ok 14525 263: ok 14526 263: ok 14527 263: ok 14528 263: ok 14529 263: ok 14530 263: ok 14531 263: ok 14532 263: ok 14533 263: ok 14534 263: ok 14535 263: ok 14536 263: ok 14537 263: ok 14538 263: ok 14539 263: ok 14540 263: ok 14541 263: ok 14542 263: ok 14543 263: ok 14544 263: ok 14545 263: ok 14546 263: ok 14547 263: ok 14548 263: ok 14549 263: ok 14550 263: ok 14551 263: ok 14552 263: ok 14553 263: ok 14554 263: ok 14555 263: ok 14556 263: ok 14557 263: ok 14558 263: ok 14559 263: ok 14560 263: ok 14561 263: ok 14562 263: ok 14563 263: ok 14564 263: ok 14565 263: ok 14566 263: ok 14567 263: ok 14568 263: ok 14569 263: ok 14570 263: ok 14571 263: ok 14572 263: ok 14573 263: ok 14574 263: ok 14575 263: ok 14576 263: ok 14577 263: ok 14578 263: ok 14579 263: ok 14580 263: ok 14581 263: ok 14582 263: ok 14583 263: ok 14584 263: ok 14585 263: ok 14586 263: ok 14587 263: ok 14588 263: ok 14589 263: ok 14590 263: ok 14591 263: ok 14592 263: ok 14593 263: ok 14594 263: ok 14595 263: ok 14596 263: ok 14597 263: ok 14598 263: ok 14599 263: ok 14600 263: ok 14601 263: ok 14602 263: ok 14603 263: ok 14604 263: ok 14605 263: ok 14606 263: ok 14607 263: ok 14608 263: ok 14609 263: ok 14610 263: ok 14611 263: ok 14612 263: ok 14613 263: ok 14614 263: ok 14615 263: ok 14616 263: ok 14617 263: ok 14618 263: ok 14619 263: ok 14620 263: ok 14621 263: ok 14622 263: ok 14623 263: ok 14624 263: ok 14625 263: ok 14626 263: ok 14627 263: ok 14628 263: ok 14629 263: ok 14630 263: ok 14631 263: ok 14632 263: ok 14633 263: ok 14634 263: ok 14635 263: ok 14636 263: ok 14637 263: ok 14638 263: ok 14639 263: ok 14640 263: ok 14641 263: ok 14642 263: ok 14643 263: ok 14644 263: ok 14645 263: ok 14646 263: ok 14647 263: ok 14648 263: ok 14649 263: ok 14650 263: ok 14651 263: ok 14652 263: ok 14653 263: ok 14654 263: ok 14655 263: ok 14656 263: ok 14657 263: ok 14658 263: ok 14659 263: ok 14660 263: ok 14661 263: ok 14662 263: ok 14663 263: ok 14664 263: ok 14665 263: ok 14666 263: ok 14667 263: ok 14668 263: ok 14669 263: ok 14670 263: ok 14671 263: ok 14672 263: ok 14673 263: ok 14674 263: ok 14675 263: ok 14676 263: ok 14677 263: ok 14678 263: ok 14679 263: ok 14680 263: ok 14681 263: ok 14682 263: ok 14683 263: ok 14684 263: ok 14685 263: ok 14686 263: ok 14687 263: ok 14688 263: ok 14689 263: ok 14690 263: ok 14691 263: ok 14692 263: ok 14693 263: ok 14694 263: ok 14695 263: ok 14696 263: ok 14697 263: ok 14698 263: ok 14699 263: ok 14700 263: ok 14701 263: ok 14702 263: ok 14703 263: ok 14704 263: ok 14705 263: ok 14706 263: ok 14707 263: ok 14708 263: ok 14709 263: ok 14710 263: ok 14711 263: ok 14712 263: ok 14713 263: ok 14714 263: ok 14715 263: ok 14716 263: ok 14717 263: ok 14718 263: ok 14719 263: ok 14720 263: ok 14721 263: ok 14722 263: ok 14723 263: ok 14724 263: ok 14725 263: ok 14726 263: ok 14727 263: ok 14728 263: ok 14729 263: ok 14730 263: ok 14731 263: ok 14732 263: ok 14733 263: ok 14734 263: ok 14735 263: ok 14736 263: ok 14737 263: ok 14738 263: ok 14739 263: ok 14740 263: ok 14741 263: ok 14742 263: ok 14743 263: ok 14744 263: ok 14745 263: ok 14746 263: ok 14747 263: ok 14748 263: ok 14749 263: ok 14750 263: ok 14751 263: ok 14752 263: ok 14753 263: ok 14754 263: ok 14755 263: ok 14756 263: ok 14757 263: ok 14758 263: ok 14759 263: ok 14760 263: ok 14761 263: ok 14762 263: ok 14763 263: ok 14764 263: ok 14765 263: ok 14766 263: ok 14767 263: ok 14768 263: ok 14769 263: ok 14770 263: ok 14771 263: ok 14772 263: ok 14773 263: ok 14774 263: ok 14775 263: ok 14776 263: ok 14777 263: ok 14778 263: ok 14779 263: ok 14780 263: ok 14781 263: ok 14782 263: ok 14783 263: ok 14784 263: ok 14785 263: ok 14786 263: ok 14787 263: ok 14788 263: ok 14789 263: ok 14790 263: ok 14791 263: ok 14792 263: ok 14793 263: ok 14794 263: ok 14795 263: ok 14796 263: ok 14797 263: ok 14798 263: ok 14799 263: ok 14800 263: ok 14801 263: ok 14802 263: ok 14803 263: ok 14804 263: ok 14805 263: ok 14806 263: ok 14807 263: ok 14808 263: ok 14809 263: ok 14810 263: ok 14811 263: ok 14812 263: ok 14813 263: ok 14814 263: ok 14815 263: ok 14816 263: ok 14817 263: ok 14818 263: ok 14819 263: ok 14820 263: ok 14821 263: ok 14822 263: ok 14823 263: ok 14824 263: ok 14825 263: ok 14826 263: ok 14827 263: ok 14828 263: ok 14829 263: ok 14830 263: ok 14831 263: ok 14832 263: ok 14833 263: ok 14834 263: ok 14835 263: ok 14836 263: ok 14837 263: ok 14838 263: ok 14839 263: ok 14840 263: ok 14841 263: ok 14842 263: ok 14843 263: ok 14844 263: ok 14845 263: ok 14846 263: ok 14847 263: ok 14848 263: ok 14849 263: ok 14850 263: ok 14851 263: ok 14852 263: ok 14853 263: ok 14854 263: ok 14855 263: ok 14856 263: ok 14857 263: ok 14858 263: ok 14859 263: ok 14860 263: ok 14861 263: ok 14862 263: ok 14863 263: ok 14864 263: ok 14865 263: ok 14866 263: ok 14867 263: ok 14868 263: ok 14869 263: ok 14870 263: ok 14871 263: ok 14872 263: ok 14873 263: ok 14874 263: ok 14875 263: ok 14876 263: ok 14877 263: ok 14878 263: ok 14879 263: ok 14880 263: ok 14881 263: ok 14882 263: ok 14883 263: ok 14884 263: ok 14885 263: ok 14886 263: ok 14887 263: ok 14888 263: ok 14889 263: ok 14890 263: ok 14891 263: ok 14892 263: ok 14893 263: ok 14894 263: ok 14895 263: ok 14896 263: ok 14897 263: ok 14898 263: ok 14899 263: ok 14900 263: ok 14901 263: ok 14902 263: ok 14903 263: ok 14904 263: ok 14905 263: ok 14906 263: ok 14907 263: ok 14908 263: ok 14909 263: ok 14910 263: ok 14911 263: ok 14912 263: ok 14913 263: ok 14914 263: ok 14915 263: ok 14916 263: ok 14917 263: ok 14918 263: ok 14919 263: ok 14920 263: ok 14921 263: ok 14922 263: ok 14923 263: ok 14924 263: ok 14925 263: ok 14926 263: ok 14927 263: ok 14928 263: ok 14929 263: ok 14930 263: ok 14931 263: ok 14932 263: ok 14933 263: ok 14934 263: ok 14935 263: ok 14936 263: ok 14937 263: ok 14938 263: ok 14939 263: ok 14940 263: ok 14941 263: ok 14942 263: ok 14943 263: ok 14944 263: ok 14945 263: ok 14946 263: ok 14947 263: ok 14948 263: ok 14949 263: ok 14950 263: ok 14951 263: ok 14952 263: ok 14953 263: ok 14954 263: ok 14955 263: ok 14956 263: ok 14957 263: ok 14958 263: ok 14959 263: ok 14960 263: ok 14961 263: ok 14962 263: ok 14963 263: ok 14964 263: ok 14965 263: ok 14966 263: ok 14967 263: ok 14968 263: ok 14969 263: ok 14970 263: ok 14971 263: ok 14972 263: ok 14973 263: ok 14974 263: ok 14975 263: ok 14976 263: ok 14977 263: ok 14978 263: ok 14979 263: ok 14980 263: ok 14981 263: ok 14982 263: ok 14983 263: ok 14984 263: ok 14985 263: ok 14986 263: ok 14987 263: ok 14988 263: ok 14989 263: ok 14990 263: ok 14991 263: ok 14992 263: ok 14993 263: ok 14994 263: ok 14995 263: ok 14996 263: ok 14997 263: ok 14998 263: ok 14999 263: ok 15000 263: # math: passed testBasics_vector3 263: # math: entering testBasics_matrix3x3 263: ok 15001 263: ok 15002 263: ok 15003 263: ok 15004 263: ok 15005 263: ok 15006 263: ok 15007 263: ok 15008 263: ok 15009 263: ok 15010 263: ok 15011 263: ok 15012 263: ok 15013 263: ok 15014 263: ok 15015 263: ok 15016 263: ok 15017 263: ok 15018 263: ok 15019 263: ok 15020 263: ok 15021 263: ok 15022 263: ok 15023 263: ok 15024 263: ok 15025 263: ok 15026 263: ok 15027 263: ok 15028 263: ok 15029 263: ok 15030 263: ok 15031 263: ok 15032 263: ok 15033 263: ok 15034 263: ok 15035 263: ok 15036 263: ok 15037 263: ok 15038 263: ok 15039 263: ok 15040 263: ok 15041 263: ok 15042 263: ok 15043 263: ok 15044 263: ok 15045 263: ok 15046 263: ok 15047 263: ok 15048 263: ok 15049 263: ok 15050 263: ok 15051 263: ok 15052 263: ok 15053 263: ok 15054 263: ok 15055 263: ok 15056 263: ok 15057 263: ok 15058 263: ok 15059 263: ok 15060 263: ok 15061 263: ok 15062 263: ok 15063 263: ok 15064 263: ok 15065 263: ok 15066 263: ok 15067 263: ok 15068 263: ok 15069 263: ok 15070 263: ok 15071 263: ok 15072 263: ok 15073 263: ok 15074 263: ok 15075 263: ok 15076 263: ok 15077 263: ok 15078 263: ok 15079 263: ok 15080 263: ok 15081 263: ok 15082 263: ok 15083 263: ok 15084 263: ok 15085 263: ok 15086 263: ok 15087 263: ok 15088 263: ok 15089 263: ok 15090 263: ok 15091 263: ok 15092 263: ok 15093 263: ok 15094 263: ok 15095 263: ok 15096 263: ok 15097 263: ok 15098 263: ok 15099 263: ok 15100 263: ok 15101 263: ok 15102 263: ok 15103 263: ok 15104 263: ok 15105 263: ok 15106 263: ok 15107 263: ok 15108 263: ok 15109 263: ok 15110 263: ok 15111 263: ok 15112 263: ok 15113 263: ok 15114 263: ok 15115 263: ok 15116 263: ok 15117 263: ok 15118 263: ok 15119 263: ok 15120 263: ok 15121 263: ok 15122 263: ok 15123 263: ok 15124 263: ok 15125 263: ok 15126 263: ok 15127 263: ok 15128 263: ok 15129 263: ok 15130 263: ok 15131 263: ok 15132 263: ok 15133 263: ok 15134 263: ok 15135 263: ok 15136 263: ok 15137 263: ok 15138 263: ok 15139 263: ok 15140 263: ok 15141 263: ok 15142 263: ok 15143 263: ok 15144 263: ok 15145 263: ok 15146 263: ok 15147 263: ok 15148 263: ok 15149 263: ok 15150 263: ok 15151 263: ok 15152 263: ok 15153 263: ok 15154 263: ok 15155 263: ok 15156 263: ok 15157 263: ok 15158 263: ok 15159 263: ok 15160 263: ok 15161 263: ok 15162 263: ok 15163 263: ok 15164 263: ok 15165 263: ok 15166 263: ok 15167 263: ok 15168 263: ok 15169 263: ok 15170 263: ok 15171 263: ok 15172 263: ok 15173 263: ok 15174 263: ok 15175 263: ok 15176 263: ok 15177 263: ok 15178 263: ok 15179 263: ok 15180 263: ok 15181 263: ok 15182 263: ok 15183 263: ok 15184 263: ok 15185 263: ok 15186 263: ok 15187 263: ok 15188 263: ok 15189 263: ok 15190 263: ok 15191 263: ok 15192 263: ok 15193 263: ok 15194 263: ok 15195 263: ok 15196 263: ok 15197 263: ok 15198 263: ok 15199 263: ok 15200 263: ok 15201 263: ok 15202 263: ok 15203 263: ok 15204 263: ok 15205 263: ok 15206 263: ok 15207 263: ok 15208 263: ok 15209 263: ok 15210 263: ok 15211 263: ok 15212 263: ok 15213 263: ok 15214 263: ok 15215 263: ok 15216 263: ok 15217 263: ok 15218 263: ok 15219 263: ok 15220 263: ok 15221 263: ok 15222 263: ok 15223 263: ok 15224 263: ok 15225 263: ok 15226 263: ok 15227 263: ok 15228 263: ok 15229 263: ok 15230 263: ok 15231 263: ok 15232 263: ok 15233 263: ok 15234 263: ok 15235 263: ok 15236 263: ok 15237 263: ok 15238 263: ok 15239 263: ok 15240 263: ok 15241 263: ok 15242 263: ok 15243 263: ok 15244 263: ok 15245 263: ok 15246 263: ok 15247 263: ok 15248 263: ok 15249 263: ok 15250 263: ok 15251 263: ok 15252 263: ok 15253 263: ok 15254 263: ok 15255 263: ok 15256 263: ok 15257 263: ok 15258 263: ok 15259 263: ok 15260 263: ok 15261 263: ok 15262 263: ok 15263 263: ok 15264 263: ok 15265 263: ok 15266 263: ok 15267 263: ok 15268 263: ok 15269 263: ok 15270 263: ok 15271 263: ok 15272 263: ok 15273 263: ok 15274 263: ok 15275 263: ok 15276 263: ok 15277 263: ok 15278 263: ok 15279 263: ok 15280 263: ok 15281 263: ok 15282 263: ok 15283 263: ok 15284 263: ok 15285 263: ok 15286 263: ok 15287 263: ok 15288 263: ok 15289 263: ok 15290 263: ok 15291 263: ok 15292 263: ok 15293 263: ok 15294 263: ok 15295 263: ok 15296 263: ok 15297 263: ok 15298 263: ok 15299 263: ok 15300 263: ok 15301 263: ok 15302 263: ok 15303 263: ok 15304 263: ok 15305 263: ok 15306 263: ok 15307 263: ok 15308 263: ok 15309 263: ok 15310 263: ok 15311 263: ok 15312 263: ok 15313 263: ok 15314 263: ok 15315 263: ok 15316 263: ok 15317 263: ok 15318 263: ok 15319 263: ok 15320 263: ok 15321 263: ok 15322 263: ok 15323 263: ok 15324 263: ok 15325 263: ok 15326 263: ok 15327 263: ok 15328 263: ok 15329 263: ok 15330 263: ok 15331 263: ok 15332 263: ok 15333 263: ok 15334 263: ok 15335 263: ok 15336 263: ok 15337 263: ok 15338 263: ok 15339 263: ok 15340 263: ok 15341 263: ok 15342 263: ok 15343 263: ok 15344 263: ok 15345 263: ok 15346 263: ok 15347 263: ok 15348 263: ok 15349 263: ok 15350 263: ok 15351 263: ok 15352 263: ok 15353 263: ok 15354 263: ok 15355 263: ok 15356 263: ok 15357 263: ok 15358 263: ok 15359 263: ok 15360 263: ok 15361 263: ok 15362 263: ok 15363 263: ok 15364 263: ok 15365 263: ok 15366 263: ok 15367 263: ok 15368 263: ok 15369 263: ok 15370 263: ok 15371 263: ok 15372 263: ok 15373 263: ok 15374 263: ok 15375 263: ok 15376 263: ok 15377 263: ok 15378 263: ok 15379 263: ok 15380 263: ok 15381 263: ok 15382 263: ok 15383 263: ok 15384 263: ok 15385 263: ok 15386 263: ok 15387 263: ok 15388 263: ok 15389 263: ok 15390 263: ok 15391 263: ok 15392 263: ok 15393 263: ok 15394 263: ok 15395 263: ok 15396 263: ok 15397 263: ok 15398 263: ok 15399 263: ok 15400 263: ok 15401 263: ok 15402 263: ok 15403 263: ok 15404 263: ok 15405 263: ok 15406 263: ok 15407 263: ok 15408 263: ok 15409 263: ok 15410 263: ok 15411 263: ok 15412 263: ok 15413 263: ok 15414 263: ok 15415 263: ok 15416 263: ok 15417 263: ok 15418 263: ok 15419 263: ok 15420 263: ok 15421 263: ok 15422 263: ok 15423 263: ok 15424 263: ok 15425 263: ok 15426 263: ok 15427 263: ok 15428 263: ok 15429 263: ok 15430 263: ok 15431 263: ok 15432 263: ok 15433 263: ok 15434 263: ok 15435 263: ok 15436 263: ok 15437 263: ok 15438 263: ok 15439 263: ok 15440 263: ok 15441 263: ok 15442 263: ok 15443 263: ok 15444 263: ok 15445 263: ok 15446 263: ok 15447 263: ok 15448 263: ok 15449 263: ok 15450 263: ok 15451 263: ok 15452 263: ok 15453 263: ok 15454 263: ok 15455 263: ok 15456 263: ok 15457 263: ok 15458 263: ok 15459 263: ok 15460 263: ok 15461 263: ok 15462 263: ok 15463 263: ok 15464 263: ok 15465 263: ok 15466 263: ok 15467 263: ok 15468 263: ok 15469 263: ok 15470 263: ok 15471 263: ok 15472 263: ok 15473 263: ok 15474 263: ok 15475 263: ok 15476 263: ok 15477 263: ok 15478 263: ok 15479 263: ok 15480 263: ok 15481 263: ok 15482 263: ok 15483 263: ok 15484 263: ok 15485 263: ok 15486 263: ok 15487 263: ok 15488 263: ok 15489 263: ok 15490 263: ok 15491 263: ok 15492 263: ok 15493 263: ok 15494 263: ok 15495 263: ok 15496 263: ok 15497 263: ok 15498 263: ok 15499 263: ok 15500 263: ok 15501 263: ok 15502 263: ok 15503 263: ok 15504 263: ok 15505 263: ok 15506 263: ok 15507 263: ok 15508 263: ok 15509 263: ok 15510 263: ok 15511 263: ok 15512 263: ok 15513 263: ok 15514 263: ok 15515 263: ok 15516 263: ok 15517 263: ok 15518 263: ok 15519 263: ok 15520 263: ok 15521 263: ok 15522 263: ok 15523 263: ok 15524 263: ok 15525 263: ok 15526 263: ok 15527 263: ok 15528 263: ok 15529 263: ok 15530 263: ok 15531 263: ok 15532 263: ok 15533 263: ok 15534 263: ok 15535 263: ok 15536 263: ok 15537 263: ok 15538 263: ok 15539 263: ok 15540 263: ok 15541 263: ok 15542 263: ok 15543 263: ok 15544 263: ok 15545 263: ok 15546 263: ok 15547 263: ok 15548 263: ok 15549 263: ok 15550 263: ok 15551 263: ok 15552 263: ok 15553 263: ok 15554 263: ok 15555 263: ok 15556 263: ok 15557 263: ok 15558 263: ok 15559 263: ok 15560 263: ok 15561 263: ok 15562 263: ok 15563 263: ok 15564 263: ok 15565 263: ok 15566 263: ok 15567 263: ok 15568 263: ok 15569 263: ok 15570 263: ok 15571 263: ok 15572 263: ok 15573 263: ok 15574 263: ok 15575 263: ok 15576 263: ok 15577 263: ok 15578 263: ok 15579 263: ok 15580 263: ok 15581 263: ok 15582 263: ok 15583 263: ok 15584 263: ok 15585 263: ok 15586 263: ok 15587 263: ok 15588 263: ok 15589 263: ok 15590 263: ok 15591 263: ok 15592 263: ok 15593 263: ok 15594 263: ok 15595 263: ok 15596 263: ok 15597 263: ok 15598 263: ok 15599 263: ok 15600 263: ok 15601 263: ok 15602 263: ok 15603 263: ok 15604 263: ok 15605 263: ok 15606 263: ok 15607 263: ok 15608 263: ok 15609 263: ok 15610 263: ok 15611 263: ok 15612 263: ok 15613 263: ok 15614 263: ok 15615 263: ok 15616 263: ok 15617 263: ok 15618 263: ok 15619 263: ok 15620 263: ok 15621 263: ok 15622 263: ok 15623 263: ok 15624 263: ok 15625 263: ok 15626 263: ok 15627 263: ok 15628 263: ok 15629 263: ok 15630 263: ok 15631 263: ok 15632 263: ok 15633 263: ok 15634 263: ok 15635 263: ok 15636 263: ok 15637 263: ok 15638 263: ok 15639 263: ok 15640 263: ok 15641 263: ok 15642 263: ok 15643 263: ok 15644 263: ok 15645 263: ok 15646 263: ok 15647 263: ok 15648 263: ok 15649 263: ok 15650 263: ok 15651 263: ok 15652 263: ok 15653 263: ok 15654 263: ok 15655 263: ok 15656 263: ok 15657 263: ok 15658 263: ok 15659 263: ok 15660 263: ok 15661 263: ok 15662 263: ok 15663 263: ok 15664 263: ok 15665 263: ok 15666 263: ok 15667 263: ok 15668 263: ok 15669 263: ok 15670 263: ok 15671 263: ok 15672 263: ok 15673 263: ok 15674 263: ok 15675 263: ok 15676 263: ok 15677 263: ok 15678 263: ok 15679 263: ok 15680 263: ok 15681 263: ok 15682 263: ok 15683 263: ok 15684 263: ok 15685 263: ok 15686 263: ok 15687 263: ok 15688 263: ok 15689 263: ok 15690 263: ok 15691 263: ok 15692 263: ok 15693 263: ok 15694 263: ok 15695 263: ok 15696 263: ok 15697 263: ok 15698 263: ok 15699 263: ok 15700 263: ok 15701 263: ok 15702 263: ok 15703 263: ok 15704 263: ok 15705 263: ok 15706 263: ok 15707 263: ok 15708 263: ok 15709 263: ok 15710 263: ok 15711 263: ok 15712 263: ok 15713 263: ok 15714 263: ok 15715 263: ok 15716 263: ok 15717 263: ok 15718 263: ok 15719 263: ok 15720 263: ok 15721 263: ok 15722 263: ok 15723 263: ok 15724 263: ok 15725 263: ok 15726 263: ok 15727 263: ok 15728 263: ok 15729 263: ok 15730 263: ok 15731 263: ok 15732 263: ok 15733 263: ok 15734 263: ok 15735 263: ok 15736 263: ok 15737 263: ok 15738 263: ok 15739 263: ok 15740 263: ok 15741 263: ok 15742 263: ok 15743 263: ok 15744 263: ok 15745 263: ok 15746 263: ok 15747 263: ok 15748 263: ok 15749 263: ok 15750 263: ok 15751 263: ok 15752 263: ok 15753 263: ok 15754 263: ok 15755 263: ok 15756 263: ok 15757 263: ok 15758 263: ok 15759 263: ok 15760 263: ok 15761 263: ok 15762 263: ok 15763 263: ok 15764 263: ok 15765 263: ok 15766 263: ok 15767 263: ok 15768 263: ok 15769 263: ok 15770 263: ok 15771 263: ok 15772 263: ok 15773 263: ok 15774 263: ok 15775 263: ok 15776 263: ok 15777 263: ok 15778 263: ok 15779 263: ok 15780 263: ok 15781 263: ok 15782 263: ok 15783 263: ok 15784 263: ok 15785 263: ok 15786 263: ok 15787 263: ok 15788 263: ok 15789 263: ok 15790 263: ok 15791 263: ok 15792 263: ok 15793 263: ok 15794 263: ok 15795 263: ok 15796 263: ok 15797 263: ok 15798 263: ok 15799 263: ok 15800 263: ok 15801 263: ok 15802 263: ok 15803 263: ok 15804 263: ok 15805 263: ok 15806 263: ok 15807 263: ok 15808 263: ok 15809 263: ok 15810 263: ok 15811 263: ok 15812 263: ok 15813 263: ok 15814 263: ok 15815 263: ok 15816 263: ok 15817 263: ok 15818 263: ok 15819 263: ok 15820 263: ok 15821 263: ok 15822 263: ok 15823 263: ok 15824 263: ok 15825 263: ok 15826 263: ok 15827 263: ok 15828 263: ok 15829 263: ok 15830 263: ok 15831 263: ok 15832 263: ok 15833 263: ok 15834 263: ok 15835 263: ok 15836 263: ok 15837 263: ok 15838 263: ok 15839 263: ok 15840 263: ok 15841 263: ok 15842 263: ok 15843 263: ok 15844 263: ok 15845 263: ok 15846 263: ok 15847 263: ok 15848 263: ok 15849 263: ok 15850 263: ok 15851 263: ok 15852 263: ok 15853 263: ok 15854 263: ok 15855 263: ok 15856 263: ok 15857 263: ok 15858 263: ok 15859 263: ok 15860 263: ok 15861 263: ok 15862 263: ok 15863 263: ok 15864 263: ok 15865 263: ok 15866 263: ok 15867 263: ok 15868 263: ok 15869 263: ok 15870 263: ok 15871 263: ok 15872 263: ok 15873 263: ok 15874 263: ok 15875 263: ok 15876 263: ok 15877 263: ok 15878 263: ok 15879 263: ok 15880 263: ok 15881 263: ok 15882 263: ok 15883 263: ok 15884 263: ok 15885 263: ok 15886 263: ok 15887 263: ok 15888 263: ok 15889 263: ok 15890 263: ok 15891 263: ok 15892 263: ok 15893 263: ok 15894 263: ok 15895 263: ok 15896 263: ok 15897 263: ok 15898 263: ok 15899 263: ok 15900 263: ok 15901 263: ok 15902 263: ok 15903 263: ok 15904 263: ok 15905 263: ok 15906 263: ok 15907 263: ok 15908 263: ok 15909 263: ok 15910 263: ok 15911 263: ok 15912 263: ok 15913 263: ok 15914 263: ok 15915 263: ok 15916 263: ok 15917 263: ok 15918 263: ok 15919 263: ok 15920 263: ok 15921 263: ok 15922 263: ok 15923 263: ok 15924 263: ok 15925 263: ok 15926 263: ok 15927 263: ok 15928 263: ok 15929 263: ok 15930 263: ok 15931 263: ok 15932 263: ok 15933 263: ok 15934 263: ok 15935 263: ok 15936 263: ok 15937 263: ok 15938 263: ok 15939 263: ok 15940 263: ok 15941 263: ok 15942 263: ok 15943 263: ok 15944 263: ok 15945 263: ok 15946 263: ok 15947 263: ok 15948 263: ok 15949 263: ok 15950 263: ok 15951 263: ok 15952 263: ok 15953 263: ok 15954 263: ok 15955 263: ok 15956 263: ok 15957 263: ok 15958 263: ok 15959 263: ok 15960 263: ok 15961 263: ok 15962 263: ok 15963 263: ok 15964 263: ok 15965 263: ok 15966 263: ok 15967 263: ok 15968 263: ok 15969 263: ok 15970 263: ok 15971 263: ok 15972 263: ok 15973 263: ok 15974 263: ok 15975 263: ok 15976 263: ok 15977 263: ok 15978 263: ok 15979 263: ok 15980 263: ok 15981 263: ok 15982 263: ok 15983 263: ok 15984 263: ok 15985 263: ok 15986 263: ok 15987 263: ok 15988 263: ok 15989 263: ok 15990 263: ok 15991 263: ok 15992 263: ok 15993 263: ok 15994 263: ok 15995 263: ok 15996 263: ok 15997 263: ok 15998 263: ok 15999 263: ok 16000 263: ok 16001 263: ok 16002 263: ok 16003 263: ok 16004 263: ok 16005 263: ok 16006 263: ok 16007 263: ok 16008 263: ok 16009 263: ok 16010 263: ok 16011 263: ok 16012 263: ok 16013 263: ok 16014 263: ok 16015 263: ok 16016 263: ok 16017 263: ok 16018 263: ok 16019 263: ok 16020 263: ok 16021 263: ok 16022 263: ok 16023 263: ok 16024 263: ok 16025 263: ok 16026 263: ok 16027 263: ok 16028 263: ok 16029 263: ok 16030 263: ok 16031 263: ok 16032 263: ok 16033 263: ok 16034 263: ok 16035 263: ok 16036 263: ok 16037 263: ok 16038 263: ok 16039 263: ok 16040 263: ok 16041 263: ok 16042 263: ok 16043 263: ok 16044 263: ok 16045 263: ok 16046 263: ok 16047 263: ok 16048 263: ok 16049 263: ok 16050 263: ok 16051 263: ok 16052 263: ok 16053 263: ok 16054 263: ok 16055 263: ok 16056 263: ok 16057 263: ok 16058 263: ok 16059 263: ok 16060 263: ok 16061 263: ok 16062 263: ok 16063 263: ok 16064 263: ok 16065 263: ok 16066 263: ok 16067 263: ok 16068 263: ok 16069 263: ok 16070 263: ok 16071 263: ok 16072 263: ok 16073 263: ok 16074 263: ok 16075 263: ok 16076 263: ok 16077 263: ok 16078 263: ok 16079 263: ok 16080 263: ok 16081 263: ok 16082 263: ok 16083 263: ok 16084 263: ok 16085 263: ok 16086 263: ok 16087 263: ok 16088 263: ok 16089 263: ok 16090 263: ok 16091 263: ok 16092 263: ok 16093 263: ok 16094 263: ok 16095 263: ok 16096 263: ok 16097 263: ok 16098 263: ok 16099 263: ok 16100 263: ok 16101 263: ok 16102 263: ok 16103 263: ok 16104 263: ok 16105 263: ok 16106 263: ok 16107 263: ok 16108 263: ok 16109 263: ok 16110 263: ok 16111 263: ok 16112 263: ok 16113 263: ok 16114 263: ok 16115 263: ok 16116 263: ok 16117 263: ok 16118 263: ok 16119 263: ok 16120 263: ok 16121 263: ok 16122 263: ok 16123 263: ok 16124 263: ok 16125 263: ok 16126 263: ok 16127 263: ok 16128 263: ok 16129 263: ok 16130 263: ok 16131 263: ok 16132 263: ok 16133 263: ok 16134 263: ok 16135 263: ok 16136 263: ok 16137 263: ok 16138 263: ok 16139 263: ok 16140 263: ok 16141 263: ok 16142 263: ok 16143 263: ok 16144 263: ok 16145 263: ok 16146 263: ok 16147 263: ok 16148 263: ok 16149 263: ok 16150 263: ok 16151 263: ok 16152 263: ok 16153 263: ok 16154 263: ok 16155 263: ok 16156 263: ok 16157 263: ok 16158 263: ok 16159 263: ok 16160 263: ok 16161 263: ok 16162 263: ok 16163 263: ok 16164 263: ok 16165 263: ok 16166 263: ok 16167 263: ok 16168 263: ok 16169 263: ok 16170 263: ok 16171 263: ok 16172 263: ok 16173 263: ok 16174 263: ok 16175 263: ok 16176 263: ok 16177 263: ok 16178 263: ok 16179 263: ok 16180 263: ok 16181 263: ok 16182 263: ok 16183 263: ok 16184 263: ok 16185 263: ok 16186 263: ok 16187 263: ok 16188 263: ok 16189 263: ok 16190 263: ok 16191 263: ok 16192 263: ok 16193 263: ok 16194 263: ok 16195 263: ok 16196 263: ok 16197 263: ok 16198 263: ok 16199 263: ok 16200 263: ok 16201 263: ok 16202 263: ok 16203 263: ok 16204 263: ok 16205 263: ok 16206 263: ok 16207 263: ok 16208 263: ok 16209 263: ok 16210 263: ok 16211 263: ok 16212 263: ok 16213 263: ok 16214 263: ok 16215 263: ok 16216 263: ok 16217 263: ok 16218 263: ok 16219 263: ok 16220 263: ok 16221 263: ok 16222 263: ok 16223 263: ok 16224 263: ok 16225 263: ok 16226 263: ok 16227 263: ok 16228 263: ok 16229 263: ok 16230 263: ok 16231 263: ok 16232 263: ok 16233 263: ok 16234 263: ok 16235 263: ok 16236 263: ok 16237 263: ok 16238 263: ok 16239 263: ok 16240 263: ok 16241 263: ok 16242 263: ok 16243 263: ok 16244 263: ok 16245 263: ok 16246 263: ok 16247 263: ok 16248 263: ok 16249 263: ok 16250 263: ok 16251 263: ok 16252 263: ok 16253 263: ok 16254 263: ok 16255 263: ok 16256 263: ok 16257 263: ok 16258 263: ok 16259 263: ok 16260 263: ok 16261 263: ok 16262 263: ok 16263 263: ok 16264 263: ok 16265 263: ok 16266 263: ok 16267 263: ok 16268 263: ok 16269 263: ok 16270 263: ok 16271 263: ok 16272 263: ok 16273 263: ok 16274 263: ok 16275 263: ok 16276 263: ok 16277 263: ok 16278 263: ok 16279 263: ok 16280 263: ok 16281 263: ok 16282 263: ok 16283 263: ok 16284 263: ok 16285 263: ok 16286 263: ok 16287 263: ok 16288 263: ok 16289 263: ok 16290 263: ok 16291 263: ok 16292 263: ok 16293 263: ok 16294 263: ok 16295 263: ok 16296 263: ok 16297 263: ok 16298 263: ok 16299 263: ok 16300 263: ok 16301 263: ok 16302 263: ok 16303 263: ok 16304 263: ok 16305 263: ok 16306 263: ok 16307 263: ok 16308 263: ok 16309 263: ok 16310 263: ok 16311 263: ok 16312 263: ok 16313 263: ok 16314 263: ok 16315 263: ok 16316 263: ok 16317 263: ok 16318 263: ok 16319 263: ok 16320 263: ok 16321 263: ok 16322 263: ok 16323 263: ok 16324 263: ok 16325 263: ok 16326 263: ok 16327 263: ok 16328 263: ok 16329 263: ok 16330 263: ok 16331 263: ok 16332 263: ok 16333 263: ok 16334 263: ok 16335 263: ok 16336 263: ok 16337 263: ok 16338 263: ok 16339 263: ok 16340 263: ok 16341 263: ok 16342 263: ok 16343 263: ok 16344 263: ok 16345 263: ok 16346 263: ok 16347 263: ok 16348 263: ok 16349 263: ok 16350 263: ok 16351 263: ok 16352 263: ok 16353 263: ok 16354 263: ok 16355 263: ok 16356 263: ok 16357 263: ok 16358 263: ok 16359 263: ok 16360 263: ok 16361 263: ok 16362 263: ok 16363 263: ok 16364 263: ok 16365 263: ok 16366 263: ok 16367 263: ok 16368 263: ok 16369 263: ok 16370 263: ok 16371 263: ok 16372 263: ok 16373 263: ok 16374 263: ok 16375 263: ok 16376 263: ok 16377 263: ok 16378 263: ok 16379 263: ok 16380 263: ok 16381 263: ok 16382 263: ok 16383 263: ok 16384 263: ok 16385 263: ok 16386 263: ok 16387 263: ok 16388 263: ok 16389 263: ok 16390 263: ok 16391 263: ok 16392 263: ok 16393 263: ok 16394 263: ok 16395 263: ok 16396 263: ok 16397 263: ok 16398 263: ok 16399 263: ok 16400 263: ok 16401 263: ok 16402 263: ok 16403 263: ok 16404 263: ok 16405 263: ok 16406 263: ok 16407 263: ok 16408 263: ok 16409 263: ok 16410 263: ok 16411 263: ok 16412 263: ok 16413 263: ok 16414 263: ok 16415 263: ok 16416 263: ok 16417 263: ok 16418 263: ok 16419 263: ok 16420 263: ok 16421 263: ok 16422 263: ok 16423 263: ok 16424 263: ok 16425 263: ok 16426 263: ok 16427 263: ok 16428 263: ok 16429 263: ok 16430 263: ok 16431 263: ok 16432 263: ok 16433 263: ok 16434 263: ok 16435 263: ok 16436 263: ok 16437 263: ok 16438 263: ok 16439 263: ok 16440 263: ok 16441 263: ok 16442 263: ok 16443 263: ok 16444 263: ok 16445 263: ok 16446 263: ok 16447 263: ok 16448 263: ok 16449 263: ok 16450 263: ok 16451 263: ok 16452 263: ok 16453 263: ok 16454 263: ok 16455 263: ok 16456 263: ok 16457 263: ok 16458 263: ok 16459 263: ok 16460 263: ok 16461 263: ok 16462 263: ok 16463 263: ok 16464 263: ok 16465 263: ok 16466 263: ok 16467 263: ok 16468 263: ok 16469 263: ok 16470 263: ok 16471 263: ok 16472 263: ok 16473 263: ok 16474 263: ok 16475 263: ok 16476 263: ok 16477 263: ok 16478 263: ok 16479 263: ok 16480 263: ok 16481 263: ok 16482 263: ok 16483 263: ok 16484 263: ok 16485 263: ok 16486 263: ok 16487 263: ok 16488 263: ok 16489 263: ok 16490 263: ok 16491 263: ok 16492 263: ok 16493 263: ok 16494 263: ok 16495 263: ok 16496 263: ok 16497 263: ok 16498 263: ok 16499 263: ok 16500 263: ok 16501 263: ok 16502 263: ok 16503 263: ok 16504 263: ok 16505 263: ok 16506 263: ok 16507 263: ok 16508 263: ok 16509 263: ok 16510 263: ok 16511 263: ok 16512 263: ok 16513 263: ok 16514 263: ok 16515 263: ok 16516 263: ok 16517 263: ok 16518 263: ok 16519 263: ok 16520 263: ok 16521 263: ok 16522 263: ok 16523 263: ok 16524 263: ok 16525 263: ok 16526 263: ok 16527 263: ok 16528 263: ok 16529 263: ok 16530 263: ok 16531 263: ok 16532 263: ok 16533 263: ok 16534 263: ok 16535 263: ok 16536 263: ok 16537 263: ok 16538 263: ok 16539 263: ok 16540 263: ok 16541 263: ok 16542 263: ok 16543 263: ok 16544 263: ok 16545 263: ok 16546 263: ok 16547 263: ok 16548 263: ok 16549 263: ok 16550 263: ok 16551 263: ok 16552 263: ok 16553 263: ok 16554 263: ok 16555 263: ok 16556 263: ok 16557 263: ok 16558 263: ok 16559 263: ok 16560 263: ok 16561 263: ok 16562 263: ok 16563 263: ok 16564 263: ok 16565 263: ok 16566 263: ok 16567 263: ok 16568 263: ok 16569 263: ok 16570 263: ok 16571 263: ok 16572 263: ok 16573 263: ok 16574 263: ok 16575 263: ok 16576 263: ok 16577 263: ok 16578 263: ok 16579 263: ok 16580 263: ok 16581 263: ok 16582 263: ok 16583 263: ok 16584 263: ok 16585 263: ok 16586 263: ok 16587 263: ok 16588 263: ok 16589 263: ok 16590 263: ok 16591 263: ok 16592 263: ok 16593 263: ok 16594 263: ok 16595 263: ok 16596 263: ok 16597 263: ok 16598 263: ok 16599 263: ok 16600 263: ok 16601 263: ok 16602 263: ok 16603 263: ok 16604 263: ok 16605 263: ok 16606 263: ok 16607 263: ok 16608 263: ok 16609 263: ok 16610 263: ok 16611 263: ok 16612 263: ok 16613 263: ok 16614 263: ok 16615 263: ok 16616 263: ok 16617 263: ok 16618 263: ok 16619 263: ok 16620 263: ok 16621 263: ok 16622 263: ok 16623 263: ok 16624 263: ok 16625 263: ok 16626 263: ok 16627 263: ok 16628 263: ok 16629 263: ok 16630 263: ok 16631 263: ok 16632 263: ok 16633 263: ok 16634 263: ok 16635 263: ok 16636 263: ok 16637 263: ok 16638 263: ok 16639 263: ok 16640 263: ok 16641 263: ok 16642 263: ok 16643 263: ok 16644 263: ok 16645 263: ok 16646 263: ok 16647 263: ok 16648 263: ok 16649 263: ok 16650 263: ok 16651 263: ok 16652 263: ok 16653 263: ok 16654 263: ok 16655 263: ok 16656 263: ok 16657 263: ok 16658 263: ok 16659 263: ok 16660 263: ok 16661 263: ok 16662 263: ok 16663 263: ok 16664 263: ok 16665 263: ok 16666 263: ok 16667 263: ok 16668 263: ok 16669 263: ok 16670 263: ok 16671 263: ok 16672 263: ok 16673 263: ok 16674 263: ok 16675 263: ok 16676 263: ok 16677 263: ok 16678 263: ok 16679 263: ok 16680 263: ok 16681 263: ok 16682 263: ok 16683 263: ok 16684 263: ok 16685 263: ok 16686 263: ok 16687 263: ok 16688 263: ok 16689 263: ok 16690 263: ok 16691 263: ok 16692 263: ok 16693 263: ok 16694 263: ok 16695 263: ok 16696 263: ok 16697 263: ok 16698 263: ok 16699 263: ok 16700 263: ok 16701 263: ok 16702 263: ok 16703 263: ok 16704 263: ok 16705 263: ok 16706 263: ok 16707 263: ok 16708 263: ok 16709 263: ok 16710 263: ok 16711 263: ok 16712 263: ok 16713 263: ok 16714 263: ok 16715 263: ok 16716 263: ok 16717 263: ok 16718 263: ok 16719 263: ok 16720 263: ok 16721 263: ok 16722 263: ok 16723 263: ok 16724 263: ok 16725 263: ok 16726 263: ok 16727 263: ok 16728 263: ok 16729 263: ok 16730 263: ok 16731 263: ok 16732 263: ok 16733 263: ok 16734 263: ok 16735 263: ok 16736 263: ok 16737 263: ok 16738 263: ok 16739 263: ok 16740 263: ok 16741 263: ok 16742 263: ok 16743 263: ok 16744 263: ok 16745 263: ok 16746 263: ok 16747 263: ok 16748 263: ok 16749 263: ok 16750 263: ok 16751 263: ok 16752 263: ok 16753 263: ok 16754 263: ok 16755 263: ok 16756 263: ok 16757 263: ok 16758 263: ok 16759 263: ok 16760 263: ok 16761 263: ok 16762 263: ok 16763 263: ok 16764 263: ok 16765 263: ok 16766 263: ok 16767 263: ok 16768 263: ok 16769 263: ok 16770 263: ok 16771 263: ok 16772 263: ok 16773 263: ok 16774 263: ok 16775 263: ok 16776 263: ok 16777 263: ok 16778 263: ok 16779 263: ok 16780 263: ok 16781 263: ok 16782 263: ok 16783 263: ok 16784 263: ok 16785 263: ok 16786 263: ok 16787 263: ok 16788 263: ok 16789 263: ok 16790 263: ok 16791 263: ok 16792 263: ok 16793 263: ok 16794 263: ok 16795 263: ok 16796 263: ok 16797 263: ok 16798 263: ok 16799 263: ok 16800 263: ok 16801 263: ok 16802 263: ok 16803 263: ok 16804 263: ok 16805 263: ok 16806 263: ok 16807 263: ok 16808 263: ok 16809 263: ok 16810 263: ok 16811 263: ok 16812 263: ok 16813 263: ok 16814 263: ok 16815 263: ok 16816 263: ok 16817 263: ok 16818 263: ok 16819 263: ok 16820 263: ok 16821 263: ok 16822 263: ok 16823 263: ok 16824 263: ok 16825 263: ok 16826 263: ok 16827 263: ok 16828 263: ok 16829 263: ok 16830 263: ok 16831 263: ok 16832 263: ok 16833 263: ok 16834 263: ok 16835 263: ok 16836 263: ok 16837 263: ok 16838 263: ok 16839 263: ok 16840 263: ok 16841 263: ok 16842 263: ok 16843 263: ok 16844 263: ok 16845 263: ok 16846 263: ok 16847 263: ok 16848 263: ok 16849 263: ok 16850 263: ok 16851 263: ok 16852 263: ok 16853 263: ok 16854 263: ok 16855 263: ok 16856 263: ok 16857 263: ok 16858 263: ok 16859 263: ok 16860 263: ok 16861 263: ok 16862 263: ok 16863 263: ok 16864 263: ok 16865 263: ok 16866 263: ok 16867 263: ok 16868 263: ok 16869 263: ok 16870 263: ok 16871 263: ok 16872 263: ok 16873 263: ok 16874 263: ok 16875 263: ok 16876 263: ok 16877 263: ok 16878 263: ok 16879 263: ok 16880 263: ok 16881 263: ok 16882 263: ok 16883 263: ok 16884 263: ok 16885 263: ok 16886 263: ok 16887 263: ok 16888 263: ok 16889 263: ok 16890 263: ok 16891 263: ok 16892 263: ok 16893 263: ok 16894 263: ok 16895 263: ok 16896 263: ok 16897 263: ok 16898 263: ok 16899 263: ok 16900 263: ok 16901 263: ok 16902 263: ok 16903 263: ok 16904 263: ok 16905 263: ok 16906 263: ok 16907 263: ok 16908 263: ok 16909 263: ok 16910 263: ok 16911 263: ok 16912 263: ok 16913 263: ok 16914 263: ok 16915 263: ok 16916 263: ok 16917 263: ok 16918 263: ok 16919 263: ok 16920 263: ok 16921 263: ok 16922 263: ok 16923 263: ok 16924 263: ok 16925 263: ok 16926 263: ok 16927 263: ok 16928 263: ok 16929 263: ok 16930 263: ok 16931 263: ok 16932 263: ok 16933 263: ok 16934 263: ok 16935 263: ok 16936 263: ok 16937 263: ok 16938 263: ok 16939 263: ok 16940 263: ok 16941 263: ok 16942 263: ok 16943 263: ok 16944 263: ok 16945 263: ok 16946 263: ok 16947 263: ok 16948 263: ok 16949 263: ok 16950 263: ok 16951 263: ok 16952 263: ok 16953 263: ok 16954 263: ok 16955 263: ok 16956 263: ok 16957 263: ok 16958 263: ok 16959 263: ok 16960 263: ok 16961 263: ok 16962 263: ok 16963 263: ok 16964 263: ok 16965 263: ok 16966 263: ok 16967 263: ok 16968 263: ok 16969 263: ok 16970 263: ok 16971 263: ok 16972 263: ok 16973 263: ok 16974 263: ok 16975 263: ok 16976 263: ok 16977 263: ok 16978 263: ok 16979 263: ok 16980 263: ok 16981 263: ok 16982 263: ok 16983 263: ok 16984 263: ok 16985 263: ok 16986 263: ok 16987 263: ok 16988 263: ok 16989 263: ok 16990 263: ok 16991 263: ok 16992 263: ok 16993 263: ok 16994 263: ok 16995 263: ok 16996 263: ok 16997 263: ok 16998 263: ok 16999 263: ok 17000 263: ok 17001 263: ok 17002 263: ok 17003 263: ok 17004 263: ok 17005 263: ok 17006 263: ok 17007 263: ok 17008 263: ok 17009 263: ok 17010 263: ok 17011 263: ok 17012 263: ok 17013 263: ok 17014 263: ok 17015 263: ok 17016 263: ok 17017 263: ok 17018 263: ok 17019 263: ok 17020 263: ok 17021 263: ok 17022 263: ok 17023 263: ok 17024 263: ok 17025 263: ok 17026 263: ok 17027 263: ok 17028 263: ok 17029 263: ok 17030 263: ok 17031 263: ok 17032 263: ok 17033 263: ok 17034 263: ok 17035 263: ok 17036 263: ok 17037 263: ok 17038 263: ok 17039 263: ok 17040 263: ok 17041 263: ok 17042 263: ok 17043 263: ok 17044 263: ok 17045 263: ok 17046 263: ok 17047 263: ok 17048 263: ok 17049 263: ok 17050 263: ok 17051 263: ok 17052 263: ok 17053 263: ok 17054 263: ok 17055 263: ok 17056 263: ok 17057 263: ok 17058 263: ok 17059 263: ok 17060 263: ok 17061 263: ok 17062 263: ok 17063 263: ok 17064 263: ok 17065 263: ok 17066 263: ok 17067 263: ok 17068 263: ok 17069 263: ok 17070 263: ok 17071 263: ok 17072 263: ok 17073 263: ok 17074 263: ok 17075 263: ok 17076 263: ok 17077 263: ok 17078 263: ok 17079 263: ok 17080 263: ok 17081 263: ok 17082 263: ok 17083 263: ok 17084 263: ok 17085 263: ok 17086 263: ok 17087 263: ok 17088 263: ok 17089 263: ok 17090 263: ok 17091 263: ok 17092 263: ok 17093 263: ok 17094 263: ok 17095 263: ok 17096 263: ok 17097 263: ok 17098 263: ok 17099 263: ok 17100 263: ok 17101 263: ok 17102 263: ok 17103 263: ok 17104 263: ok 17105 263: ok 17106 263: ok 17107 263: ok 17108 263: ok 17109 263: ok 17110 263: ok 17111 263: ok 17112 263: ok 17113 263: ok 17114 263: ok 17115 263: ok 17116 263: ok 17117 263: ok 17118 263: ok 17119 263: ok 17120 263: ok 17121 263: ok 17122 263: ok 17123 263: ok 17124 263: ok 17125 263: ok 17126 263: ok 17127 263: ok 17128 263: ok 17129 263: ok 17130 263: ok 17131 263: ok 17132 263: ok 17133 263: ok 17134 263: ok 17135 263: ok 17136 263: ok 17137 263: ok 17138 263: ok 17139 263: ok 17140 263: ok 17141 263: ok 17142 263: ok 17143 263: ok 17144 263: ok 17145 263: ok 17146 263: ok 17147 263: ok 17148 263: ok 17149 263: ok 17150 263: ok 17151 263: ok 17152 263: ok 17153 263: ok 17154 263: ok 17155 263: ok 17156 263: ok 17157 263: ok 17158 263: ok 17159 263: ok 17160 263: ok 17161 263: ok 17162 263: ok 17163 263: ok 17164 263: ok 17165 263: ok 17166 263: ok 17167 263: ok 17168 263: ok 17169 263: ok 17170 263: ok 17171 263: ok 17172 263: ok 17173 263: ok 17174 263: ok 17175 263: ok 17176 263: ok 17177 263: ok 17178 263: ok 17179 263: ok 17180 263: ok 17181 263: ok 17182 263: ok 17183 263: ok 17184 263: ok 17185 263: ok 17186 263: ok 17187 263: ok 17188 263: ok 17189 263: ok 17190 263: ok 17191 263: ok 17192 263: ok 17193 263: ok 17194 263: ok 17195 263: ok 17196 263: ok 17197 263: ok 17198 263: ok 17199 263: ok 17200 263: ok 17201 263: ok 17202 263: ok 17203 263: ok 17204 263: ok 17205 263: ok 17206 263: ok 17207 263: ok 17208 263: ok 17209 263: ok 17210 263: ok 17211 263: ok 17212 263: ok 17213 263: ok 17214 263: ok 17215 263: ok 17216 263: ok 17217 263: ok 17218 263: ok 17219 263: ok 17220 263: ok 17221 263: ok 17222 263: ok 17223 263: ok 17224 263: ok 17225 263: ok 17226 263: ok 17227 263: ok 17228 263: ok 17229 263: ok 17230 263: ok 17231 263: ok 17232 263: ok 17233 263: ok 17234 263: ok 17235 263: ok 17236 263: ok 17237 263: ok 17238 263: ok 17239 263: ok 17240 263: ok 17241 263: ok 17242 263: ok 17243 263: ok 17244 263: ok 17245 263: ok 17246 263: ok 17247 263: ok 17248 263: ok 17249 263: ok 17250 263: ok 17251 263: ok 17252 263: ok 17253 263: ok 17254 263: ok 17255 263: ok 17256 263: ok 17257 263: ok 17258 263: ok 17259 263: ok 17260 263: ok 17261 263: ok 17262 263: ok 17263 263: ok 17264 263: ok 17265 263: ok 17266 263: ok 17267 263: ok 17268 263: ok 17269 263: ok 17270 263: ok 17271 263: ok 17272 263: ok 17273 263: ok 17274 263: ok 17275 263: ok 17276 263: ok 17277 263: ok 17278 263: ok 17279 263: ok 17280 263: ok 17281 263: ok 17282 263: ok 17283 263: ok 17284 263: ok 17285 263: ok 17286 263: ok 17287 263: ok 17288 263: ok 17289 263: ok 17290 263: ok 17291 263: ok 17292 263: ok 17293 263: ok 17294 263: ok 17295 263: ok 17296 263: ok 17297 263: ok 17298 263: ok 17299 263: ok 17300 263: ok 17301 263: ok 17302 263: ok 17303 263: ok 17304 263: ok 17305 263: ok 17306 263: ok 17307 263: ok 17308 263: ok 17309 263: ok 17310 263: ok 17311 263: ok 17312 263: ok 17313 263: ok 17314 263: ok 17315 263: ok 17316 263: ok 17317 263: ok 17318 263: ok 17319 263: ok 17320 263: ok 17321 263: ok 17322 263: ok 17323 263: ok 17324 263: ok 17325 263: ok 17326 263: ok 17327 263: ok 17328 263: ok 17329 263: ok 17330 263: ok 17331 263: ok 17332 263: ok 17333 263: ok 17334 263: ok 17335 263: ok 17336 263: ok 17337 263: ok 17338 263: ok 17339 263: ok 17340 263: ok 17341 263: ok 17342 263: ok 17343 263: ok 17344 263: ok 17345 263: ok 17346 263: ok 17347 263: ok 17348 263: ok 17349 263: ok 17350 263: ok 17351 263: ok 17352 263: ok 17353 263: ok 17354 263: ok 17355 263: ok 17356 263: ok 17357 263: ok 17358 263: ok 17359 263: ok 17360 263: ok 17361 263: ok 17362 263: ok 17363 263: ok 17364 263: ok 17365 263: ok 17366 263: ok 17367 263: ok 17368 263: ok 17369 263: ok 17370 263: ok 17371 263: ok 17372 263: ok 17373 263: ok 17374 263: ok 17375 263: ok 17376 263: ok 17377 263: ok 17378 263: ok 17379 263: ok 17380 263: ok 17381 263: ok 17382 263: ok 17383 263: ok 17384 263: ok 17385 263: ok 17386 263: ok 17387 263: ok 17388 263: ok 17389 263: ok 17390 263: ok 17391 263: ok 17392 263: ok 17393 263: ok 17394 263: ok 17395 263: ok 17396 263: ok 17397 263: ok 17398 263: ok 17399 263: ok 17400 263: ok 17401 263: ok 17402 263: ok 17403 263: ok 17404 263: ok 17405 263: ok 17406 263: ok 17407 263: ok 17408 263: ok 17409 263: ok 17410 263: ok 17411 263: ok 17412 263: ok 17413 263: ok 17414 263: ok 17415 263: ok 17416 263: ok 17417 263: ok 17418 263: ok 17419 263: ok 17420 263: ok 17421 263: ok 17422 263: ok 17423 263: ok 17424 263: ok 17425 263: ok 17426 263: ok 17427 263: ok 17428 263: ok 17429 263: ok 17430 263: ok 17431 263: ok 17432 263: ok 17433 263: ok 17434 263: ok 17435 263: ok 17436 263: ok 17437 263: ok 17438 263: ok 17439 263: ok 17440 263: ok 17441 263: ok 17442 263: ok 17443 263: ok 17444 263: ok 17445 263: ok 17446 263: ok 17447 263: ok 17448 263: ok 17449 263: ok 17450 263: ok 17451 263: ok 17452 263: ok 17453 263: ok 17454 263: ok 17455 263: ok 17456 263: ok 17457 263: ok 17458 263: ok 17459 263: ok 17460 263: ok 17461 263: ok 17462 263: ok 17463 263: ok 17464 263: ok 17465 263: ok 17466 263: ok 17467 263: ok 17468 263: ok 17469 263: ok 17470 263: ok 17471 263: ok 17472 263: ok 17473 263: ok 17474 263: ok 17475 263: ok 17476 263: ok 17477 263: ok 17478 263: ok 17479 263: ok 17480 263: ok 17481 263: ok 17482 263: ok 17483 263: ok 17484 263: ok 17485 263: ok 17486 263: ok 17487 263: ok 17488 263: ok 17489 263: ok 17490 263: ok 17491 263: ok 17492 263: ok 17493 263: ok 17494 263: ok 17495 263: ok 17496 263: ok 17497 263: ok 17498 263: ok 17499 263: ok 17500 263: ok 17501 263: ok 17502 263: ok 17503 263: ok 17504 263: ok 17505 263: ok 17506 263: ok 17507 263: ok 17508 263: ok 17509 263: ok 17510 263: ok 17511 263: ok 17512 263: ok 17513 263: ok 17514 263: ok 17515 263: ok 17516 263: ok 17517 263: ok 17518 263: ok 17519 263: ok 17520 263: ok 17521 263: ok 17522 263: ok 17523 263: ok 17524 263: ok 17525 263: ok 17526 263: ok 17527 263: ok 17528 263: ok 17529 263: ok 17530 263: ok 17531 263: ok 17532 263: ok 17533 263: ok 17534 263: ok 17535 263: ok 17536 263: ok 17537 263: ok 17538 263: ok 17539 263: ok 17540 263: ok 17541 263: ok 17542 263: ok 17543 263: ok 17544 263: ok 17545 263: ok 17546 263: ok 17547 263: ok 17548 263: ok 17549 263: ok 17550 263: ok 17551 263: ok 17552 263: ok 17553 263: ok 17554 263: ok 17555 263: ok 17556 263: ok 17557 263: ok 17558 263: ok 17559 263: ok 17560 263: ok 17561 263: ok 17562 263: ok 17563 263: ok 17564 263: ok 17565 263: ok 17566 263: ok 17567 263: ok 17568 263: ok 17569 263: ok 17570 263: ok 17571 263: ok 17572 263: ok 17573 263: ok 17574 263: ok 17575 263: ok 17576 263: ok 17577 263: ok 17578 263: ok 17579 263: ok 17580 263: ok 17581 263: ok 17582 263: ok 17583 263: ok 17584 263: ok 17585 263: ok 17586 263: ok 17587 263: ok 17588 263: ok 17589 263: ok 17590 263: ok 17591 263: ok 17592 263: ok 17593 263: ok 17594 263: ok 17595 263: ok 17596 263: ok 17597 263: ok 17598 263: ok 17599 263: ok 17600 263: ok 17601 263: ok 17602 263: ok 17603 263: ok 17604 263: ok 17605 263: ok 17606 263: ok 17607 263: ok 17608 263: ok 17609 263: ok 17610 263: ok 17611 263: ok 17612 263: ok 17613 263: ok 17614 263: ok 17615 263: ok 17616 263: ok 17617 263: ok 17618 263: ok 17619 263: ok 17620 263: ok 17621 263: ok 17622 263: ok 17623 263: ok 17624 263: ok 17625 263: ok 17626 263: ok 17627 263: ok 17628 263: ok 17629 263: ok 17630 263: ok 17631 263: ok 17632 263: ok 17633 263: ok 17634 263: ok 17635 263: ok 17636 263: ok 17637 263: ok 17638 263: ok 17639 263: ok 17640 263: ok 17641 263: ok 17642 263: ok 17643 263: ok 17644 263: ok 17645 263: ok 17646 263: ok 17647 263: ok 17648 263: ok 17649 263: ok 17650 263: ok 17651 263: ok 17652 263: ok 17653 263: ok 17654 263: ok 17655 263: ok 17656 263: ok 17657 263: ok 17658 263: ok 17659 263: ok 17660 263: ok 17661 263: ok 17662 263: ok 17663 263: ok 17664 263: ok 17665 263: ok 17666 263: ok 17667 263: ok 17668 263: ok 17669 263: ok 17670 263: ok 17671 263: ok 17672 263: ok 17673 263: ok 17674 263: ok 17675 263: ok 17676 263: ok 17677 263: ok 17678 263: ok 17679 263: ok 17680 263: ok 17681 263: ok 17682 263: ok 17683 263: ok 17684 263: ok 17685 263: ok 17686 263: ok 17687 263: ok 17688 263: ok 17689 263: ok 17690 263: ok 17691 263: ok 17692 263: ok 17693 263: ok 17694 263: ok 17695 263: ok 17696 263: ok 17697 263: ok 17698 263: ok 17699 263: ok 17700 263: ok 17701 263: ok 17702 263: ok 17703 263: ok 17704 263: ok 17705 263: ok 17706 263: ok 17707 263: ok 17708 263: ok 17709 263: ok 17710 263: ok 17711 263: ok 17712 263: ok 17713 263: ok 17714 263: ok 17715 263: ok 17716 263: ok 17717 263: ok 17718 263: ok 17719 263: ok 17720 263: ok 17721 263: ok 17722 263: ok 17723 263: ok 17724 263: ok 17725 263: ok 17726 263: ok 17727 263: ok 17728 263: ok 17729 263: ok 17730 263: ok 17731 263: ok 17732 263: ok 17733 263: ok 17734 263: ok 17735 263: ok 17736 263: ok 17737 263: ok 17738 263: ok 17739 263: ok 17740 263: ok 17741 263: ok 17742 263: ok 17743 263: ok 17744 263: ok 17745 263: ok 17746 263: ok 17747 263: ok 17748 263: ok 17749 263: ok 17750 263: ok 17751 263: ok 17752 263: ok 17753 263: ok 17754 263: ok 17755 263: ok 17756 263: ok 17757 263: ok 17758 263: ok 17759 263: ok 17760 263: ok 17761 263: ok 17762 263: ok 17763 263: ok 17764 263: ok 17765 263: ok 17766 263: ok 17767 263: ok 17768 263: ok 17769 263: ok 17770 263: ok 17771 263: ok 17772 263: ok 17773 263: ok 17774 263: ok 17775 263: ok 17776 263: ok 17777 263: ok 17778 263: ok 17779 263: ok 17780 263: ok 17781 263: ok 17782 263: ok 17783 263: ok 17784 263: ok 17785 263: ok 17786 263: ok 17787 263: ok 17788 263: ok 17789 263: ok 17790 263: ok 17791 263: ok 17792 263: ok 17793 263: ok 17794 263: ok 17795 263: ok 17796 263: ok 17797 263: ok 17798 263: ok 17799 263: ok 17800 263: ok 17801 263: ok 17802 263: ok 17803 263: ok 17804 263: ok 17805 263: ok 17806 263: ok 17807 263: ok 17808 263: ok 17809 263: ok 17810 263: ok 17811 263: ok 17812 263: ok 17813 263: ok 17814 263: ok 17815 263: ok 17816 263: ok 17817 263: ok 17818 263: ok 17819 263: ok 17820 263: ok 17821 263: ok 17822 263: ok 17823 263: ok 17824 263: ok 17825 263: ok 17826 263: ok 17827 263: ok 17828 263: ok 17829 263: ok 17830 263: ok 17831 263: ok 17832 263: ok 17833 263: ok 17834 263: ok 17835 263: ok 17836 263: ok 17837 263: ok 17838 263: ok 17839 263: ok 17840 263: ok 17841 263: ok 17842 263: ok 17843 263: ok 17844 263: ok 17845 263: ok 17846 263: ok 17847 263: ok 17848 263: ok 17849 263: ok 17850 263: ok 17851 263: ok 17852 263: ok 17853 263: ok 17854 263: ok 17855 263: ok 17856 263: ok 17857 263: ok 17858 263: ok 17859 263: ok 17860 263: ok 17861 263: ok 17862 263: ok 17863 263: ok 17864 263: ok 17865 263: ok 17866 263: ok 17867 263: ok 17868 263: ok 17869 263: ok 17870 263: ok 17871 263: ok 17872 263: ok 17873 263: ok 17874 263: ok 17875 263: ok 17876 263: ok 17877 263: ok 17878 263: ok 17879 263: ok 17880 263: ok 17881 263: ok 17882 263: ok 17883 263: ok 17884 263: ok 17885 263: ok 17886 263: ok 17887 263: ok 17888 263: ok 17889 263: ok 17890 263: ok 17891 263: ok 17892 263: ok 17893 263: ok 17894 263: ok 17895 263: ok 17896 263: ok 17897 263: ok 17898 263: ok 17899 263: ok 17900 263: ok 17901 263: ok 17902 263: ok 17903 263: ok 17904 263: ok 17905 263: ok 17906 263: ok 17907 263: ok 17908 263: ok 17909 263: ok 17910 263: ok 17911 263: ok 17912 263: ok 17913 263: ok 17914 263: ok 17915 263: ok 17916 263: ok 17917 263: ok 17918 263: ok 17919 263: ok 17920 263: ok 17921 263: ok 17922 263: ok 17923 263: ok 17924 263: ok 17925 263: ok 17926 263: ok 17927 263: ok 17928 263: ok 17929 263: ok 17930 263: ok 17931 263: ok 17932 263: ok 17933 263: ok 17934 263: ok 17935 263: ok 17936 263: ok 17937 263: ok 17938 263: ok 17939 263: ok 17940 263: ok 17941 263: ok 17942 263: ok 17943 263: ok 17944 263: ok 17945 263: ok 17946 263: ok 17947 263: ok 17948 263: ok 17949 263: ok 17950 263: ok 17951 263: ok 17952 263: ok 17953 263: ok 17954 263: ok 17955 263: ok 17956 263: ok 17957 263: ok 17958 263: ok 17959 263: ok 17960 263: ok 17961 263: ok 17962 263: ok 17963 263: ok 17964 263: ok 17965 263: ok 17966 263: ok 17967 263: ok 17968 263: ok 17969 263: ok 17970 263: ok 17971 263: ok 17972 263: ok 17973 263: ok 17974 263: ok 17975 263: ok 17976 263: ok 17977 263: ok 17978 263: ok 17979 263: ok 17980 263: ok 17981 263: ok 17982 263: ok 17983 263: ok 17984 263: ok 17985 263: ok 17986 263: ok 17987 263: ok 17988 263: ok 17989 263: ok 17990 263: ok 17991 263: ok 17992 263: ok 17993 263: ok 17994 263: ok 17995 263: ok 17996 263: ok 17997 263: ok 17998 263: ok 17999 263: ok 18000 263: ok 18001 263: ok 18002 263: ok 18003 263: ok 18004 263: ok 18005 263: ok 18006 263: ok 18007 263: ok 18008 263: ok 18009 263: ok 18010 263: ok 18011 263: ok 18012 263: ok 18013 263: ok 18014 263: ok 18015 263: ok 18016 263: ok 18017 263: ok 18018 263: ok 18019 263: ok 18020 263: ok 18021 263: ok 18022 263: ok 18023 263: ok 18024 263: ok 18025 263: ok 18026 263: ok 18027 263: ok 18028 263: ok 18029 263: ok 18030 263: ok 18031 263: ok 18032 263: ok 18033 263: ok 18034 263: ok 18035 263: ok 18036 263: ok 18037 263: ok 18038 263: ok 18039 263: ok 18040 263: ok 18041 263: ok 18042 263: ok 18043 263: ok 18044 263: ok 18045 263: ok 18046 263: ok 18047 263: ok 18048 263: ok 18049 263: ok 18050 263: ok 18051 263: ok 18052 263: ok 18053 263: ok 18054 263: ok 18055 263: ok 18056 263: ok 18057 263: ok 18058 263: ok 18059 263: ok 18060 263: ok 18061 263: ok 18062 263: ok 18063 263: ok 18064 263: ok 18065 263: ok 18066 263: ok 18067 263: ok 18068 263: ok 18069 263: ok 18070 263: ok 18071 263: ok 18072 263: ok 18073 263: ok 18074 263: ok 18075 263: ok 18076 263: ok 18077 263: ok 18078 263: ok 18079 263: ok 18080 263: ok 18081 263: ok 18082 263: ok 18083 263: ok 18084 263: ok 18085 263: ok 18086 263: ok 18087 263: ok 18088 263: ok 18089 263: ok 18090 263: ok 18091 263: ok 18092 263: ok 18093 263: ok 18094 263: ok 18095 263: ok 18096 263: ok 18097 263: ok 18098 263: ok 18099 263: ok 18100 263: ok 18101 263: ok 18102 263: ok 18103 263: ok 18104 263: ok 18105 263: ok 18106 263: ok 18107 263: ok 18108 263: ok 18109 263: ok 18110 263: ok 18111 263: ok 18112 263: ok 18113 263: ok 18114 263: ok 18115 263: ok 18116 263: ok 18117 263: ok 18118 263: ok 18119 263: ok 18120 263: ok 18121 263: ok 18122 263: ok 18123 263: ok 18124 263: ok 18125 263: ok 18126 263: ok 18127 263: ok 18128 263: ok 18129 263: ok 18130 263: ok 18131 263: ok 18132 263: ok 18133 263: ok 18134 263: ok 18135 263: ok 18136 263: ok 18137 263: ok 18138 263: ok 18139 263: ok 18140 263: ok 18141 263: ok 18142 263: ok 18143 263: ok 18144 263: ok 18145 263: ok 18146 263: ok 18147 263: ok 18148 263: ok 18149 263: ok 18150 263: ok 18151 263: ok 18152 263: ok 18153 263: ok 18154 263: ok 18155 263: ok 18156 263: ok 18157 263: ok 18158 263: ok 18159 263: ok 18160 263: ok 18161 263: ok 18162 263: ok 18163 263: ok 18164 263: ok 18165 263: ok 18166 263: ok 18167 263: ok 18168 263: ok 18169 263: ok 18170 263: ok 18171 263: ok 18172 263: ok 18173 263: ok 18174 263: ok 18175 263: ok 18176 263: ok 18177 263: ok 18178 263: ok 18179 263: ok 18180 263: ok 18181 263: ok 18182 263: ok 18183 263: ok 18184 263: ok 18185 263: ok 18186 263: ok 18187 263: ok 18188 263: ok 18189 263: ok 18190 263: ok 18191 263: ok 18192 263: ok 18193 263: ok 18194 263: ok 18195 263: ok 18196 263: ok 18197 263: ok 18198 263: ok 18199 263: ok 18200 263: ok 18201 263: ok 18202 263: ok 18203 263: ok 18204 263: ok 18205 263: ok 18206 263: ok 18207 263: ok 18208 263: ok 18209 263: ok 18210 263: ok 18211 263: ok 18212 263: ok 18213 263: ok 18214 263: ok 18215 263: ok 18216 263: ok 18217 263: ok 18218 263: ok 18219 263: ok 18220 263: ok 18221 263: ok 18222 263: ok 18223 263: ok 18224 263: ok 18225 263: ok 18226 263: ok 18227 263: ok 18228 263: ok 18229 263: ok 18230 263: ok 18231 263: ok 18232 263: ok 18233 263: ok 18234 263: ok 18235 263: ok 18236 263: ok 18237 263: ok 18238 263: ok 18239 263: ok 18240 263: ok 18241 263: ok 18242 263: ok 18243 263: ok 18244 263: ok 18245 263: ok 18246 263: ok 18247 263: ok 18248 263: ok 18249 263: ok 18250 263: ok 18251 263: ok 18252 263: ok 18253 263: ok 18254 263: ok 18255 263: ok 18256 263: ok 18257 263: ok 18258 263: ok 18259 263: ok 18260 263: ok 18261 263: ok 18262 263: ok 18263 263: ok 18264 263: ok 18265 263: ok 18266 263: ok 18267 263: ok 18268 263: ok 18269 263: ok 18270 263: ok 18271 263: ok 18272 263: ok 18273 263: ok 18274 263: ok 18275 263: ok 18276 263: ok 18277 263: ok 18278 263: ok 18279 263: ok 18280 263: ok 18281 263: ok 18282 263: ok 18283 263: ok 18284 263: ok 18285 263: ok 18286 263: ok 18287 263: ok 18288 263: ok 18289 263: ok 18290 263: ok 18291 263: ok 18292 263: ok 18293 263: ok 18294 263: ok 18295 263: ok 18296 263: ok 18297 263: ok 18298 263: ok 18299 263: ok 18300 263: ok 18301 263: ok 18302 263: ok 18303 263: ok 18304 263: ok 18305 263: ok 18306 263: ok 18307 263: ok 18308 263: ok 18309 263: ok 18310 263: ok 18311 263: ok 18312 263: ok 18313 263: ok 18314 263: ok 18315 263: ok 18316 263: ok 18317 263: ok 18318 263: ok 18319 263: ok 18320 263: ok 18321 263: ok 18322 263: ok 18323 263: ok 18324 263: ok 18325 263: ok 18326 263: ok 18327 263: ok 18328 263: ok 18329 263: ok 18330 263: ok 18331 263: ok 18332 263: ok 18333 263: ok 18334 263: ok 18335 263: ok 18336 263: ok 18337 263: ok 18338 263: ok 18339 263: ok 18340 263: ok 18341 263: ok 18342 263: ok 18343 263: ok 18344 263: ok 18345 263: ok 18346 263: ok 18347 263: ok 18348 263: ok 18349 263: ok 18350 263: ok 18351 263: ok 18352 263: ok 18353 263: ok 18354 263: ok 18355 263: ok 18356 263: ok 18357 263: ok 18358 263: ok 18359 263: ok 18360 263: ok 18361 263: ok 18362 263: ok 18363 263: ok 18364 263: ok 18365 263: ok 18366 263: ok 18367 263: ok 18368 263: ok 18369 263: ok 18370 263: ok 18371 263: ok 18372 263: ok 18373 263: ok 18374 263: ok 18375 263: ok 18376 263: ok 18377 263: ok 18378 263: ok 18379 263: ok 18380 263: ok 18381 263: ok 18382 263: ok 18383 263: ok 18384 263: ok 18385 263: ok 18386 263: ok 18387 263: ok 18388 263: ok 18389 263: ok 18390 263: ok 18391 263: ok 18392 263: ok 18393 263: ok 18394 263: ok 18395 263: ok 18396 263: ok 18397 263: ok 18398 263: ok 18399 263: ok 18400 263: ok 18401 263: ok 18402 263: ok 18403 263: ok 18404 263: ok 18405 263: ok 18406 263: ok 18407 263: ok 18408 263: ok 18409 263: ok 18410 263: ok 18411 263: ok 18412 263: ok 18413 263: ok 18414 263: ok 18415 263: ok 18416 263: ok 18417 263: ok 18418 263: ok 18419 263: ok 18420 263: ok 18421 263: ok 18422 263: ok 18423 263: ok 18424 263: ok 18425 263: ok 18426 263: ok 18427 263: ok 18428 263: ok 18429 263: ok 18430 263: ok 18431 263: ok 18432 263: ok 18433 263: ok 18434 263: ok 18435 263: ok 18436 263: ok 18437 263: ok 18438 263: ok 18439 263: ok 18440 263: ok 18441 263: ok 18442 263: ok 18443 263: ok 18444 263: ok 18445 263: ok 18446 263: ok 18447 263: ok 18448 263: ok 18449 263: ok 18450 263: ok 18451 263: ok 18452 263: ok 18453 263: ok 18454 263: ok 18455 263: ok 18456 263: ok 18457 263: ok 18458 263: ok 18459 263: ok 18460 263: ok 18461 263: ok 18462 263: ok 18463 263: ok 18464 263: ok 18465 263: ok 18466 263: ok 18467 263: ok 18468 263: ok 18469 263: ok 18470 263: ok 18471 263: ok 18472 263: ok 18473 263: ok 18474 263: ok 18475 263: ok 18476 263: ok 18477 263: ok 18478 263: ok 18479 263: ok 18480 263: ok 18481 263: ok 18482 263: ok 18483 263: ok 18484 263: ok 18485 263: ok 18486 263: ok 18487 263: ok 18488 263: ok 18489 263: ok 18490 263: ok 18491 263: ok 18492 263: ok 18493 263: ok 18494 263: ok 18495 263: ok 18496 263: ok 18497 263: ok 18498 263: ok 18499 263: ok 18500 263: ok 18501 263: ok 18502 263: ok 18503 263: ok 18504 263: ok 18505 263: ok 18506 263: ok 18507 263: ok 18508 263: ok 18509 263: ok 18510 263: ok 18511 263: ok 18512 263: ok 18513 263: ok 18514 263: ok 18515 263: ok 18516 263: ok 18517 263: ok 18518 263: ok 18519 263: ok 18520 263: ok 18521 263: ok 18522 263: ok 18523 263: ok 18524 263: ok 18525 263: ok 18526 263: ok 18527 263: ok 18528 263: ok 18529 263: ok 18530 263: ok 18531 263: ok 18532 263: ok 18533 263: ok 18534 263: ok 18535 263: ok 18536 263: ok 18537 263: ok 18538 263: ok 18539 263: ok 18540 263: ok 18541 263: ok 18542 263: ok 18543 263: ok 18544 263: ok 18545 263: ok 18546 263: ok 18547 263: ok 18548 263: ok 18549 263: ok 18550 263: ok 18551 263: ok 18552 263: ok 18553 263: ok 18554 263: ok 18555 263: ok 18556 263: ok 18557 263: ok 18558 263: ok 18559 263: ok 18560 263: ok 18561 263: ok 18562 263: ok 18563 263: ok 18564 263: ok 18565 263: ok 18566 263: ok 18567 263: ok 18568 263: ok 18569 263: ok 18570 263: ok 18571 263: ok 18572 263: ok 18573 263: ok 18574 263: ok 18575 263: ok 18576 263: ok 18577 263: ok 18578 263: ok 18579 263: ok 18580 263: ok 18581 263: ok 18582 263: ok 18583 263: ok 18584 263: ok 18585 263: ok 18586 263: ok 18587 263: ok 18588 263: ok 18589 263: ok 18590 263: ok 18591 263: ok 18592 263: ok 18593 263: ok 18594 263: ok 18595 263: ok 18596 263: ok 18597 263: ok 18598 263: ok 18599 263: ok 18600 263: ok 18601 263: ok 18602 263: ok 18603 263: ok 18604 263: ok 18605 263: ok 18606 263: ok 18607 263: ok 18608 263: ok 18609 263: ok 18610 263: ok 18611 263: ok 18612 263: ok 18613 263: ok 18614 263: ok 18615 263: ok 18616 263: ok 18617 263: ok 18618 263: ok 18619 263: ok 18620 263: ok 18621 263: ok 18622 263: ok 18623 263: ok 18624 263: ok 18625 263: ok 18626 263: ok 18627 263: ok 18628 263: ok 18629 263: ok 18630 263: ok 18631 263: ok 18632 263: ok 18633 263: ok 18634 263: ok 18635 263: ok 18636 263: ok 18637 263: ok 18638 263: ok 18639 263: ok 18640 263: ok 18641 263: ok 18642 263: ok 18643 263: ok 18644 263: ok 18645 263: ok 18646 263: ok 18647 263: ok 18648 263: ok 18649 263: ok 18650 263: ok 18651 263: ok 18652 263: ok 18653 263: ok 18654 263: ok 18655 263: ok 18656 263: ok 18657 263: ok 18658 263: ok 18659 263: ok 18660 263: ok 18661 263: ok 18662 263: ok 18663 263: ok 18664 263: ok 18665 263: ok 18666 263: ok 18667 263: ok 18668 263: ok 18669 263: ok 18670 263: ok 18671 263: ok 18672 263: ok 18673 263: ok 18674 263: ok 18675 263: ok 18676 263: ok 18677 263: ok 18678 263: ok 18679 263: ok 18680 263: ok 18681 263: ok 18682 263: ok 18683 263: ok 18684 263: ok 18685 263: ok 18686 263: ok 18687 263: ok 18688 263: ok 18689 263: ok 18690 263: ok 18691 263: ok 18692 263: ok 18693 263: ok 18694 263: ok 18695 263: ok 18696 263: ok 18697 263: ok 18698 263: ok 18699 263: ok 18700 263: ok 18701 263: ok 18702 263: ok 18703 263: ok 18704 263: ok 18705 263: ok 18706 263: ok 18707 263: ok 18708 263: ok 18709 263: ok 18710 263: ok 18711 263: ok 18712 263: ok 18713 263: ok 18714 263: ok 18715 263: ok 18716 263: ok 18717 263: ok 18718 263: ok 18719 263: ok 18720 263: ok 18721 263: ok 18722 263: ok 18723 263: ok 18724 263: ok 18725 263: ok 18726 263: ok 18727 263: ok 18728 263: ok 18729 263: ok 18730 263: ok 18731 263: ok 18732 263: ok 18733 263: ok 18734 263: ok 18735 263: ok 18736 263: ok 18737 263: ok 18738 263: ok 18739 263: ok 18740 263: ok 18741 263: ok 18742 263: ok 18743 263: ok 18744 263: ok 18745 263: ok 18746 263: ok 18747 263: ok 18748 263: ok 18749 263: ok 18750 263: ok 18751 263: ok 18752 263: ok 18753 263: ok 18754 263: ok 18755 263: ok 18756 263: ok 18757 263: ok 18758 263: ok 18759 263: ok 18760 263: ok 18761 263: ok 18762 263: ok 18763 263: ok 18764 263: ok 18765 263: ok 18766 263: ok 18767 263: ok 18768 263: ok 18769 263: ok 18770 263: ok 18771 263: ok 18772 263: ok 18773 263: ok 18774 263: ok 18775 263: ok 18776 263: ok 18777 263: ok 18778 263: ok 18779 263: ok 18780 263: ok 18781 263: ok 18782 263: ok 18783 263: ok 18784 263: ok 18785 263: ok 18786 263: ok 18787 263: ok 18788 263: ok 18789 263: ok 18790 263: ok 18791 263: ok 18792 263: ok 18793 263: ok 18794 263: ok 18795 263: ok 18796 263: ok 18797 263: ok 18798 263: ok 18799 263: ok 18800 263: ok 18801 263: ok 18802 263: ok 18803 263: ok 18804 263: ok 18805 263: ok 18806 263: ok 18807 263: ok 18808 263: ok 18809 263: ok 18810 263: ok 18811 263: ok 18812 263: ok 18813 263: ok 18814 263: ok 18815 263: ok 18816 263: ok 18817 263: ok 18818 263: ok 18819 263: ok 18820 263: ok 18821 263: ok 18822 263: ok 18823 263: ok 18824 263: ok 18825 263: ok 18826 263: ok 18827 263: ok 18828 263: ok 18829 263: ok 18830 263: ok 18831 263: ok 18832 263: ok 18833 263: ok 18834 263: ok 18835 263: ok 18836 263: ok 18837 263: ok 18838 263: ok 18839 263: ok 18840 263: ok 18841 263: ok 18842 263: ok 18843 263: ok 18844 263: ok 18845 263: ok 18846 263: ok 18847 263: ok 18848 263: ok 18849 263: ok 18850 263: ok 18851 263: ok 18852 263: ok 18853 263: ok 18854 263: ok 18855 263: ok 18856 263: ok 18857 263: ok 18858 263: ok 18859 263: ok 18860 263: ok 18861 263: ok 18862 263: ok 18863 263: ok 18864 263: ok 18865 263: ok 18866 263: ok 18867 263: ok 18868 263: ok 18869 263: ok 18870 263: ok 18871 263: ok 18872 263: ok 18873 263: ok 18874 263: ok 18875 263: ok 18876 263: ok 18877 263: ok 18878 263: ok 18879 263: ok 18880 263: ok 18881 263: ok 18882 263: ok 18883 263: ok 18884 263: ok 18885 263: ok 18886 263: ok 18887 263: ok 18888 263: ok 18889 263: ok 18890 263: ok 18891 263: ok 18892 263: ok 18893 263: ok 18894 263: ok 18895 263: ok 18896 263: ok 18897 263: ok 18898 263: ok 18899 263: ok 18900 263: ok 18901 263: ok 18902 263: ok 18903 263: ok 18904 263: ok 18905 263: ok 18906 263: ok 18907 263: ok 18908 263: ok 18909 263: ok 18910 263: ok 18911 263: ok 18912 263: ok 18913 263: ok 18914 263: ok 18915 263: ok 18916 263: ok 18917 263: ok 18918 263: ok 18919 263: ok 18920 263: ok 18921 263: ok 18922 263: ok 18923 263: ok 18924 263: ok 18925 263: ok 18926 263: ok 18927 263: ok 18928 263: ok 18929 263: ok 18930 263: ok 18931 263: ok 18932 263: ok 18933 263: ok 18934 263: ok 18935 263: ok 18936 263: ok 18937 263: ok 18938 263: ok 18939 263: ok 18940 263: ok 18941 263: ok 18942 263: ok 18943 263: ok 18944 263: ok 18945 263: ok 18946 263: ok 18947 263: ok 18948 263: ok 18949 263: ok 18950 263: ok 18951 263: ok 18952 263: ok 18953 263: ok 18954 263: ok 18955 263: ok 18956 263: ok 18957 263: ok 18958 263: ok 18959 263: ok 18960 263: ok 18961 263: ok 18962 263: ok 18963 263: ok 18964 263: ok 18965 263: ok 18966 263: ok 18967 263: ok 18968 263: ok 18969 263: ok 18970 263: ok 18971 263: ok 18972 263: ok 18973 263: ok 18974 263: ok 18975 263: ok 18976 263: ok 18977 263: ok 18978 263: ok 18979 263: ok 18980 263: ok 18981 263: ok 18982 263: ok 18983 263: ok 18984 263: ok 18985 263: ok 18986 263: ok 18987 263: ok 18988 263: ok 18989 263: ok 18990 263: ok 18991 263: ok 18992 263: ok 18993 263: ok 18994 263: ok 18995 263: ok 18996 263: ok 18997 263: ok 18998 263: ok 18999 263: ok 19000 263: ok 19001 263: ok 19002 263: ok 19003 263: ok 19004 263: ok 19005 263: ok 19006 263: ok 19007 263: ok 19008 263: ok 19009 263: ok 19010 263: ok 19011 263: ok 19012 263: ok 19013 263: ok 19014 263: ok 19015 263: ok 19016 263: ok 19017 263: ok 19018 263: ok 19019 263: ok 19020 263: ok 19021 263: ok 19022 263: ok 19023 263: ok 19024 263: ok 19025 263: ok 19026 263: ok 19027 263: ok 19028 263: ok 19029 263: ok 19030 263: ok 19031 263: ok 19032 263: ok 19033 263: ok 19034 263: ok 19035 263: ok 19036 263: ok 19037 263: ok 19038 263: ok 19039 263: ok 19040 263: ok 19041 263: ok 19042 263: ok 19043 263: ok 19044 263: ok 19045 263: ok 19046 263: ok 19047 263: ok 19048 263: ok 19049 263: ok 19050 263: ok 19051 263: ok 19052 263: ok 19053 263: ok 19054 263: ok 19055 263: ok 19056 263: ok 19057 263: ok 19058 263: ok 19059 263: ok 19060 263: ok 19061 263: ok 19062 263: ok 19063 263: ok 19064 263: ok 19065 263: ok 19066 263: ok 19067 263: ok 19068 263: ok 19069 263: ok 19070 263: ok 19071 263: ok 19072 263: ok 19073 263: ok 19074 263: ok 19075 263: ok 19076 263: ok 19077 263: ok 19078 263: ok 19079 263: ok 19080 263: ok 19081 263: ok 19082 263: ok 19083 263: ok 19084 263: ok 19085 263: ok 19086 263: ok 19087 263: ok 19088 263: ok 19089 263: ok 19090 263: ok 19091 263: ok 19092 263: ok 19093 263: ok 19094 263: ok 19095 263: ok 19096 263: ok 19097 263: ok 19098 263: ok 19099 263: ok 19100 263: ok 19101 263: ok 19102 263: ok 19103 263: ok 19104 263: ok 19105 263: ok 19106 263: ok 19107 263: ok 19108 263: ok 19109 263: ok 19110 263: ok 19111 263: ok 19112 263: ok 19113 263: ok 19114 263: ok 19115 263: ok 19116 263: ok 19117 263: ok 19118 263: ok 19119 263: ok 19120 263: ok 19121 263: ok 19122 263: ok 19123 263: ok 19124 263: ok 19125 263: ok 19126 263: ok 19127 263: ok 19128 263: ok 19129 263: ok 19130 263: ok 19131 263: ok 19132 263: ok 19133 263: ok 19134 263: ok 19135 263: ok 19136 263: ok 19137 263: ok 19138 263: ok 19139 263: ok 19140 263: ok 19141 263: ok 19142 263: ok 19143 263: ok 19144 263: ok 19145 263: ok 19146 263: ok 19147 263: ok 19148 263: ok 19149 263: ok 19150 263: ok 19151 263: ok 19152 263: ok 19153 263: ok 19154 263: ok 19155 263: ok 19156 263: ok 19157 263: ok 19158 263: ok 19159 263: ok 19160 263: ok 19161 263: ok 19162 263: ok 19163 263: ok 19164 263: ok 19165 263: ok 19166 263: ok 19167 263: ok 19168 263: ok 19169 263: ok 19170 263: ok 19171 263: ok 19172 263: ok 19173 263: ok 19174 263: ok 19175 263: ok 19176 263: ok 19177 263: ok 19178 263: ok 19179 263: ok 19180 263: ok 19181 263: ok 19182 263: ok 19183 263: ok 19184 263: ok 19185 263: ok 19186 263: ok 19187 263: ok 19188 263: ok 19189 263: ok 19190 263: ok 19191 263: ok 19192 263: ok 19193 263: ok 19194 263: ok 19195 263: ok 19196 263: ok 19197 263: ok 19198 263: ok 19199 263: ok 19200 263: ok 19201 263: ok 19202 263: ok 19203 263: ok 19204 263: ok 19205 263: ok 19206 263: ok 19207 263: ok 19208 263: ok 19209 263: ok 19210 263: ok 19211 263: ok 19212 263: ok 19213 263: ok 19214 263: ok 19215 263: ok 19216 263: ok 19217 263: ok 19218 263: ok 19219 263: ok 19220 263: ok 19221 263: ok 19222 263: ok 19223 263: ok 19224 263: ok 19225 263: ok 19226 263: ok 19227 263: ok 19228 263: ok 19229 263: ok 19230 263: ok 19231 263: ok 19232 263: ok 19233 263: ok 19234 263: ok 19235 263: ok 19236 263: ok 19237 263: ok 19238 263: ok 19239 263: ok 19240 263: ok 19241 263: ok 19242 263: ok 19243 263: ok 19244 263: ok 19245 263: ok 19246 263: ok 19247 263: ok 19248 263: ok 19249 263: ok 19250 263: ok 19251 263: ok 19252 263: ok 19253 263: ok 19254 263: ok 19255 263: ok 19256 263: ok 19257 263: ok 19258 263: ok 19259 263: ok 19260 263: ok 19261 263: ok 19262 263: ok 19263 263: ok 19264 263: ok 19265 263: ok 19266 263: ok 19267 263: ok 19268 263: ok 19269 263: ok 19270 263: ok 19271 263: ok 19272 263: ok 19273 263: ok 19274 263: ok 19275 263: ok 19276 263: ok 19277 263: ok 19278 263: ok 19279 263: ok 19280 263: ok 19281 263: ok 19282 263: ok 19283 263: ok 19284 263: ok 19285 263: ok 19286 263: ok 19287 263: ok 19288 263: ok 19289 263: ok 19290 263: ok 19291 263: ok 19292 263: ok 19293 263: ok 19294 263: ok 19295 263: ok 19296 263: ok 19297 263: ok 19298 263: ok 19299 263: ok 19300 263: ok 19301 263: ok 19302 263: ok 19303 263: ok 19304 263: ok 19305 263: ok 19306 263: ok 19307 263: ok 19308 263: ok 19309 263: ok 19310 263: ok 19311 263: ok 19312 263: ok 19313 263: ok 19314 263: ok 19315 263: ok 19316 263: ok 19317 263: ok 19318 263: ok 19319 263: ok 19320 263: ok 19321 263: ok 19322 263: ok 19323 263: ok 19324 263: ok 19325 263: ok 19326 263: ok 19327 263: ok 19328 263: ok 19329 263: ok 19330 263: ok 19331 263: ok 19332 263: ok 19333 263: ok 19334 263: ok 19335 263: ok 19336 263: ok 19337 263: ok 19338 263: ok 19339 263: ok 19340 263: ok 19341 263: ok 19342 263: ok 19343 263: ok 19344 263: ok 19345 263: ok 19346 263: ok 19347 263: ok 19348 263: ok 19349 263: ok 19350 263: ok 19351 263: ok 19352 263: ok 19353 263: ok 19354 263: ok 19355 263: ok 19356 263: ok 19357 263: ok 19358 263: ok 19359 263: ok 19360 263: ok 19361 263: ok 19362 263: ok 19363 263: ok 19364 263: ok 19365 263: ok 19366 263: ok 19367 263: ok 19368 263: ok 19369 263: ok 19370 263: ok 19371 263: ok 19372 263: ok 19373 263: ok 19374 263: ok 19375 263: ok 19376 263: ok 19377 263: ok 19378 263: ok 19379 263: ok 19380 263: ok 19381 263: ok 19382 263: ok 19383 263: ok 19384 263: ok 19385 263: ok 19386 263: ok 19387 263: ok 19388 263: ok 19389 263: ok 19390 263: ok 19391 263: ok 19392 263: ok 19393 263: ok 19394 263: ok 19395 263: ok 19396 263: ok 19397 263: ok 19398 263: ok 19399 263: ok 19400 263: ok 19401 263: ok 19402 263: ok 19403 263: ok 19404 263: ok 19405 263: ok 19406 263: ok 19407 263: ok 19408 263: ok 19409 263: ok 19410 263: ok 19411 263: ok 19412 263: ok 19413 263: ok 19414 263: ok 19415 263: ok 19416 263: ok 19417 263: ok 19418 263: ok 19419 263: ok 19420 263: ok 19421 263: ok 19422 263: ok 19423 263: ok 19424 263: ok 19425 263: ok 19426 263: ok 19427 263: ok 19428 263: ok 19429 263: ok 19430 263: ok 19431 263: ok 19432 263: ok 19433 263: ok 19434 263: ok 19435 263: ok 19436 263: ok 19437 263: ok 19438 263: ok 19439 263: ok 19440 263: ok 19441 263: ok 19442 263: ok 19443 263: ok 19444 263: ok 19445 263: ok 19446 263: ok 19447 263: ok 19448 263: ok 19449 263: ok 19450 263: ok 19451 263: ok 19452 263: ok 19453 263: ok 19454 263: ok 19455 263: ok 19456 263: ok 19457 263: ok 19458 263: ok 19459 263: ok 19460 263: ok 19461 263: ok 19462 263: ok 19463 263: ok 19464 263: ok 19465 263: ok 19466 263: ok 19467 263: ok 19468 263: ok 19469 263: ok 19470 263: ok 19471 263: ok 19472 263: ok 19473 263: ok 19474 263: ok 19475 263: ok 19476 263: ok 19477 263: ok 19478 263: ok 19479 263: ok 19480 263: ok 19481 263: ok 19482 263: ok 19483 263: ok 19484 263: ok 19485 263: ok 19486 263: ok 19487 263: ok 19488 263: ok 19489 263: ok 19490 263: ok 19491 263: ok 19492 263: ok 19493 263: ok 19494 263: ok 19495 263: ok 19496 263: ok 19497 263: ok 19498 263: ok 19499 263: ok 19500 263: ok 19501 263: ok 19502 263: ok 19503 263: ok 19504 263: ok 19505 263: ok 19506 263: ok 19507 263: ok 19508 263: ok 19509 263: ok 19510 263: ok 19511 263: ok 19512 263: ok 19513 263: ok 19514 263: ok 19515 263: ok 19516 263: ok 19517 263: ok 19518 263: ok 19519 263: ok 19520 263: ok 19521 263: ok 19522 263: ok 19523 263: ok 19524 263: ok 19525 263: ok 19526 263: ok 19527 263: ok 19528 263: ok 19529 263: ok 19530 263: ok 19531 263: ok 19532 263: ok 19533 263: ok 19534 263: ok 19535 263: ok 19536 263: ok 19537 263: ok 19538 263: ok 19539 263: ok 19540 263: ok 19541 263: ok 19542 263: ok 19543 263: ok 19544 263: ok 19545 263: ok 19546 263: ok 19547 263: ok 19548 263: ok 19549 263: ok 19550 263: ok 19551 263: ok 19552 263: ok 19553 263: ok 19554 263: ok 19555 263: ok 19556 263: ok 19557 263: ok 19558 263: ok 19559 263: ok 19560 263: ok 19561 263: ok 19562 263: ok 19563 263: ok 19564 263: ok 19565 263: ok 19566 263: ok 19567 263: ok 19568 263: ok 19569 263: ok 19570 263: ok 19571 263: ok 19572 263: ok 19573 263: ok 19574 263: ok 19575 263: ok 19576 263: ok 19577 263: ok 19578 263: ok 19579 263: ok 19580 263: ok 19581 263: ok 19582 263: ok 19583 263: ok 19584 263: ok 19585 263: ok 19586 263: ok 19587 263: ok 19588 263: ok 19589 263: ok 19590 263: ok 19591 263: ok 19592 263: ok 19593 263: ok 19594 263: ok 19595 263: ok 19596 263: ok 19597 263: ok 19598 263: ok 19599 263: ok 19600 263: ok 19601 263: ok 19602 263: ok 19603 263: ok 19604 263: ok 19605 263: ok 19606 263: ok 19607 263: ok 19608 263: ok 19609 263: ok 19610 263: ok 19611 263: ok 19612 263: ok 19613 263: ok 19614 263: ok 19615 263: ok 19616 263: ok 19617 263: ok 19618 263: ok 19619 263: ok 19620 263: ok 19621 263: ok 19622 263: ok 19623 263: ok 19624 263: ok 19625 263: ok 19626 263: ok 19627 263: ok 19628 263: ok 19629 263: ok 19630 263: ok 19631 263: ok 19632 263: ok 19633 263: ok 19634 263: ok 19635 263: ok 19636 263: ok 19637 263: ok 19638 263: ok 19639 263: ok 19640 263: ok 19641 263: ok 19642 263: ok 19643 263: ok 19644 263: ok 19645 263: ok 19646 263: ok 19647 263: ok 19648 263: ok 19649 263: ok 19650 263: ok 19651 263: ok 19652 263: ok 19653 263: ok 19654 263: ok 19655 263: ok 19656 263: ok 19657 263: ok 19658 263: ok 19659 263: ok 19660 263: ok 19661 263: ok 19662 263: ok 19663 263: ok 19664 263: ok 19665 263: ok 19666 263: ok 19667 263: ok 19668 263: ok 19669 263: ok 19670 263: ok 19671 263: ok 19672 263: ok 19673 263: ok 19674 263: ok 19675 263: ok 19676 263: ok 19677 263: ok 19678 263: ok 19679 263: ok 19680 263: ok 19681 263: ok 19682 263: ok 19683 263: ok 19684 263: ok 19685 263: ok 19686 263: ok 19687 263: ok 19688 263: ok 19689 263: ok 19690 263: ok 19691 263: ok 19692 263: ok 19693 263: ok 19694 263: ok 19695 263: ok 19696 263: ok 19697 263: ok 19698 263: ok 19699 263: ok 19700 263: ok 19701 263: ok 19702 263: ok 19703 263: ok 19704 263: ok 19705 263: ok 19706 263: ok 19707 263: ok 19708 263: ok 19709 263: ok 19710 263: ok 19711 263: ok 19712 263: ok 19713 263: ok 19714 263: ok 19715 263: ok 19716 263: ok 19717 263: ok 19718 263: ok 19719 263: ok 19720 263: ok 19721 263: ok 19722 263: ok 19723 263: ok 19724 263: ok 19725 263: ok 19726 263: ok 19727 263: ok 19728 263: ok 19729 263: ok 19730 263: ok 19731 263: ok 19732 263: ok 19733 263: ok 19734 263: ok 19735 263: ok 19736 263: ok 19737 263: ok 19738 263: ok 19739 263: ok 19740 263: ok 19741 263: ok 19742 263: ok 19743 263: ok 19744 263: ok 19745 263: ok 19746 263: ok 19747 263: ok 19748 263: ok 19749 263: ok 19750 263: ok 19751 263: ok 19752 263: ok 19753 263: ok 19754 263: ok 19755 263: ok 19756 263: ok 19757 263: ok 19758 263: ok 19759 263: ok 19760 263: ok 19761 263: ok 19762 263: ok 19763 263: ok 19764 263: ok 19765 263: ok 19766 263: ok 19767 263: ok 19768 263: ok 19769 263: ok 19770 263: ok 19771 263: ok 19772 263: ok 19773 263: ok 19774 263: ok 19775 263: ok 19776 263: ok 19777 263: ok 19778 263: ok 19779 263: ok 19780 263: ok 19781 263: ok 19782 263: ok 19783 263: ok 19784 263: ok 19785 263: ok 19786 263: ok 19787 263: ok 19788 263: ok 19789 263: ok 19790 263: ok 19791 263: ok 19792 263: ok 19793 263: ok 19794 263: ok 19795 263: ok 19796 263: ok 19797 263: ok 19798 263: ok 19799 263: ok 19800 263: ok 19801 263: ok 19802 263: ok 19803 263: ok 19804 263: ok 19805 263: ok 19806 263: ok 19807 263: ok 19808 263: ok 19809 263: ok 19810 263: ok 19811 263: ok 19812 263: ok 19813 263: ok 19814 263: ok 19815 263: ok 19816 263: ok 19817 263: ok 19818 263: ok 19819 263: ok 19820 263: ok 19821 263: ok 19822 263: ok 19823 263: ok 19824 263: ok 19825 263: ok 19826 263: ok 19827 263: ok 19828 263: ok 19829 263: ok 19830 263: ok 19831 263: ok 19832 263: ok 19833 263: ok 19834 263: ok 19835 263: ok 19836 263: ok 19837 263: ok 19838 263: ok 19839 263: ok 19840 263: ok 19841 263: ok 19842 263: ok 19843 263: ok 19844 263: ok 19845 263: ok 19846 263: ok 19847 263: ok 19848 263: ok 19849 263: ok 19850 263: ok 19851 263: ok 19852 263: ok 19853 263: ok 19854 263: ok 19855 263: ok 19856 263: ok 19857 263: ok 19858 263: ok 19859 263: ok 19860 263: ok 19861 263: ok 19862 263: ok 19863 263: ok 19864 263: ok 19865 263: ok 19866 263: ok 19867 263: ok 19868 263: ok 19869 263: ok 19870 263: ok 19871 263: ok 19872 263: ok 19873 263: ok 19874 263: ok 19875 263: ok 19876 263: ok 19877 263: ok 19878 263: ok 19879 263: ok 19880 263: ok 19881 263: ok 19882 263: ok 19883 263: ok 19884 263: ok 19885 263: ok 19886 263: ok 19887 263: ok 19888 263: ok 19889 263: ok 19890 263: ok 19891 263: ok 19892 263: ok 19893 263: ok 19894 263: ok 19895 263: ok 19896 263: ok 19897 263: ok 19898 263: ok 19899 263: ok 19900 263: ok 19901 263: ok 19902 263: ok 19903 263: ok 19904 263: ok 19905 263: ok 19906 263: ok 19907 263: ok 19908 263: ok 19909 263: ok 19910 263: ok 19911 263: ok 19912 263: ok 19913 263: ok 19914 263: ok 19915 263: ok 19916 263: ok 19917 263: ok 19918 263: ok 19919 263: ok 19920 263: ok 19921 263: ok 19922 263: ok 19923 263: ok 19924 263: ok 19925 263: ok 19926 263: ok 19927 263: ok 19928 263: ok 19929 263: ok 19930 263: ok 19931 263: ok 19932 263: ok 19933 263: ok 19934 263: ok 19935 263: ok 19936 263: ok 19937 263: ok 19938 263: ok 19939 263: ok 19940 263: ok 19941 263: ok 19942 263: ok 19943 263: ok 19944 263: ok 19945 263: ok 19946 263: ok 19947 263: ok 19948 263: ok 19949 263: ok 19950 263: ok 19951 263: ok 19952 263: ok 19953 263: ok 19954 263: ok 19955 263: ok 19956 263: ok 19957 263: ok 19958 263: ok 19959 263: ok 19960 263: ok 19961 263: ok 19962 263: ok 19963 263: ok 19964 263: ok 19965 263: ok 19966 263: ok 19967 263: ok 19968 263: ok 19969 263: ok 19970 263: ok 19971 263: ok 19972 263: ok 19973 263: ok 19974 263: ok 19975 263: ok 19976 263: ok 19977 263: ok 19978 263: ok 19979 263: ok 19980 263: ok 19981 263: ok 19982 263: ok 19983 263: ok 19984 263: ok 19985 263: ok 19986 263: ok 19987 263: ok 19988 263: ok 19989 263: ok 19990 263: ok 19991 263: ok 19992 263: ok 19993 263: ok 19994 263: ok 19995 263: ok 19996 263: ok 19997 263: ok 19998 263: ok 19999 263: ok 20000 263: ok 20001 263: ok 20002 263: ok 20003 263: ok 20004 263: ok 20005 263: ok 20006 263: ok 20007 263: ok 20008 263: ok 20009 263: ok 20010 263: ok 20011 263: ok 20012 263: ok 20013 263: ok 20014 263: ok 20015 263: ok 20016 263: ok 20017 263: ok 20018 263: ok 20019 263: ok 20020 263: ok 20021 263: ok 20022 263: ok 20023 263: ok 20024 263: ok 20025 263: ok 20026 263: ok 20027 263: ok 20028 263: ok 20029 263: ok 20030 263: ok 20031 263: ok 20032 263: ok 20033 263: ok 20034 263: ok 20035 263: ok 20036 263: ok 20037 263: ok 20038 263: ok 20039 263: ok 20040 263: ok 20041 263: ok 20042 263: ok 20043 263: ok 20044 263: ok 20045 263: ok 20046 263: ok 20047 263: ok 20048 263: ok 20049 263: ok 20050 263: ok 20051 263: ok 20052 263: ok 20053 263: ok 20054 263: ok 20055 263: ok 20056 263: ok 20057 263: ok 20058 263: ok 20059 263: ok 20060 263: ok 20061 263: ok 20062 263: ok 20063 263: ok 20064 263: ok 20065 263: ok 20066 263: ok 20067 263: ok 20068 263: ok 20069 263: ok 20070 263: ok 20071 263: ok 20072 263: ok 20073 263: ok 20074 263: ok 20075 263: ok 20076 263: ok 20077 263: ok 20078 263: ok 20079 263: ok 20080 263: ok 20081 263: ok 20082 263: ok 20083 263: ok 20084 263: ok 20085 263: ok 20086 263: ok 20087 263: ok 20088 263: ok 20089 263: ok 20090 263: ok 20091 263: ok 20092 263: ok 20093 263: ok 20094 263: ok 20095 263: ok 20096 263: ok 20097 263: ok 20098 263: ok 20099 263: ok 20100 263: ok 20101 263: ok 20102 263: ok 20103 263: ok 20104 263: ok 20105 263: ok 20106 263: ok 20107 263: ok 20108 263: ok 20109 263: ok 20110 263: ok 20111 263: ok 20112 263: ok 20113 263: ok 20114 263: ok 20115 263: ok 20116 263: ok 20117 263: ok 20118 263: ok 20119 263: ok 20120 263: ok 20121 263: ok 20122 263: ok 20123 263: ok 20124 263: ok 20125 263: ok 20126 263: ok 20127 263: ok 20128 263: ok 20129 263: ok 20130 263: ok 20131 263: ok 20132 263: ok 20133 263: ok 20134 263: ok 20135 263: ok 20136 263: ok 20137 263: ok 20138 263: ok 20139 263: ok 20140 263: ok 20141 263: ok 20142 263: ok 20143 263: ok 20144 263: ok 20145 263: ok 20146 263: ok 20147 263: ok 20148 263: ok 20149 263: ok 20150 263: ok 20151 263: ok 20152 263: ok 20153 263: ok 20154 263: ok 20155 263: ok 20156 263: ok 20157 263: ok 20158 263: ok 20159 263: ok 20160 263: ok 20161 263: ok 20162 263: ok 20163 263: ok 20164 263: ok 20165 263: ok 20166 263: ok 20167 263: ok 20168 263: ok 20169 263: ok 20170 263: ok 20171 263: ok 20172 263: ok 20173 263: ok 20174 263: ok 20175 263: ok 20176 263: ok 20177 263: ok 20178 263: ok 20179 263: ok 20180 263: ok 20181 263: ok 20182 263: ok 20183 263: ok 20184 263: ok 20185 263: ok 20186 263: ok 20187 263: ok 20188 263: ok 20189 263: ok 20190 263: ok 20191 263: ok 20192 263: ok 20193 263: ok 20194 263: ok 20195 263: ok 20196 263: ok 20197 263: ok 20198 263: ok 20199 263: ok 20200 263: ok 20201 263: ok 20202 263: ok 20203 263: ok 20204 263: ok 20205 263: ok 20206 263: ok 20207 263: ok 20208 263: ok 20209 263: ok 20210 263: ok 20211 263: ok 20212 263: ok 20213 263: ok 20214 263: ok 20215 263: ok 20216 263: ok 20217 263: ok 20218 263: ok 20219 263: ok 20220 263: ok 20221 263: ok 20222 263: ok 20223 263: ok 20224 263: ok 20225 263: ok 20226 263: ok 20227 263: ok 20228 263: ok 20229 263: ok 20230 263: ok 20231 263: ok 20232 263: ok 20233 263: ok 20234 263: ok 20235 263: ok 20236 263: ok 20237 263: ok 20238 263: ok 20239 263: ok 20240 263: ok 20241 263: ok 20242 263: ok 20243 263: ok 20244 263: ok 20245 263: ok 20246 263: ok 20247 263: ok 20248 263: ok 20249 263: ok 20250 263: ok 20251 263: ok 20252 263: ok 20253 263: ok 20254 263: ok 20255 263: ok 20256 263: ok 20257 263: ok 20258 263: ok 20259 263: ok 20260 263: ok 20261 263: ok 20262 263: ok 20263 263: ok 20264 263: ok 20265 263: ok 20266 263: ok 20267 263: ok 20268 263: ok 20269 263: ok 20270 263: ok 20271 263: ok 20272 263: ok 20273 263: ok 20274 263: ok 20275 263: ok 20276 263: ok 20277 263: ok 20278 263: ok 20279 263: ok 20280 263: ok 20281 263: ok 20282 263: ok 20283 263: ok 20284 263: ok 20285 263: ok 20286 263: ok 20287 263: ok 20288 263: ok 20289 263: ok 20290 263: ok 20291 263: ok 20292 263: ok 20293 263: ok 20294 263: ok 20295 263: ok 20296 263: ok 20297 263: ok 20298 263: ok 20299 263: ok 20300 263: ok 20301 263: ok 20302 263: ok 20303 263: ok 20304 263: ok 20305 263: ok 20306 263: ok 20307 263: ok 20308 263: ok 20309 263: ok 20310 263: ok 20311 263: ok 20312 263: ok 20313 263: ok 20314 263: ok 20315 263: ok 20316 263: ok 20317 263: ok 20318 263: ok 20319 263: ok 20320 263: ok 20321 263: ok 20322 263: ok 20323 263: ok 20324 263: ok 20325 263: ok 20326 263: ok 20327 263: ok 20328 263: ok 20329 263: ok 20330 263: ok 20331 263: ok 20332 263: ok 20333 263: ok 20334 263: ok 20335 263: ok 20336 263: ok 20337 263: ok 20338 263: ok 20339 263: ok 20340 263: ok 20341 263: ok 20342 263: ok 20343 263: ok 20344 263: ok 20345 263: ok 20346 263: ok 20347 263: ok 20348 263: ok 20349 263: ok 20350 263: ok 20351 263: ok 20352 263: ok 20353 263: ok 20354 263: ok 20355 263: ok 20356 263: ok 20357 263: ok 20358 263: ok 20359 263: ok 20360 263: ok 20361 263: ok 20362 263: ok 20363 263: ok 20364 263: ok 20365 263: ok 20366 263: ok 20367 263: ok 20368 263: ok 20369 263: ok 20370 263: ok 20371 263: ok 20372 263: ok 20373 263: ok 20374 263: ok 20375 263: ok 20376 263: ok 20377 263: ok 20378 263: ok 20379 263: ok 20380 263: ok 20381 263: ok 20382 263: ok 20383 263: ok 20384 263: ok 20385 263: ok 20386 263: ok 20387 263: ok 20388 263: ok 20389 263: ok 20390 263: ok 20391 263: ok 20392 263: ok 20393 263: ok 20394 263: ok 20395 263: ok 20396 263: ok 20397 263: ok 20398 263: ok 20399 263: ok 20400 263: ok 20401 263: ok 20402 263: ok 20403 263: ok 20404 263: ok 20405 263: ok 20406 263: ok 20407 263: ok 20408 263: ok 20409 263: ok 20410 263: ok 20411 263: ok 20412 263: ok 20413 263: ok 20414 263: ok 20415 263: ok 20416 263: ok 20417 263: ok 20418 263: ok 20419 263: ok 20420 263: ok 20421 263: ok 20422 263: ok 20423 263: ok 20424 263: ok 20425 263: ok 20426 263: ok 20427 263: ok 20428 263: ok 20429 263: ok 20430 263: ok 20431 263: ok 20432 263: ok 20433 263: ok 20434 263: ok 20435 263: ok 20436 263: ok 20437 263: ok 20438 263: ok 20439 263: ok 20440 263: ok 20441 263: ok 20442 263: ok 20443 263: ok 20444 263: ok 20445 263: ok 20446 263: ok 20447 263: ok 20448 263: ok 20449 263: ok 20450 263: ok 20451 263: ok 20452 263: ok 20453 263: ok 20454 263: ok 20455 263: ok 20456 263: ok 20457 263: ok 20458 263: ok 20459 263: ok 20460 263: ok 20461 263: ok 20462 263: ok 20463 263: ok 20464 263: ok 20465 263: ok 20466 263: ok 20467 263: ok 20468 263: ok 20469 263: ok 20470 263: ok 20471 263: ok 20472 263: ok 20473 263: ok 20474 263: ok 20475 263: ok 20476 263: ok 20477 263: ok 20478 263: ok 20479 263: ok 20480 263: ok 20481 263: ok 20482 263: ok 20483 263: ok 20484 263: ok 20485 263: ok 20486 263: ok 20487 263: ok 20488 263: ok 20489 263: ok 20490 263: ok 20491 263: ok 20492 263: ok 20493 263: ok 20494 263: ok 20495 263: ok 20496 263: ok 20497 263: ok 20498 263: ok 20499 263: ok 20500 263: ok 20501 263: ok 20502 263: ok 20503 263: ok 20504 263: ok 20505 263: ok 20506 263: ok 20507 263: ok 20508 263: ok 20509 263: ok 20510 263: ok 20511 263: ok 20512 263: ok 20513 263: ok 20514 263: ok 20515 263: ok 20516 263: ok 20517 263: ok 20518 263: ok 20519 263: ok 20520 263: ok 20521 263: ok 20522 263: ok 20523 263: ok 20524 263: ok 20525 263: ok 20526 263: ok 20527 263: ok 20528 263: ok 20529 263: ok 20530 263: ok 20531 263: ok 20532 263: ok 20533 263: ok 20534 263: ok 20535 263: ok 20536 263: ok 20537 263: ok 20538 263: ok 20539 263: ok 20540 263: ok 20541 263: ok 20542 263: ok 20543 263: ok 20544 263: ok 20545 263: ok 20546 263: ok 20547 263: ok 20548 263: ok 20549 263: ok 20550 263: ok 20551 263: ok 20552 263: ok 20553 263: ok 20554 263: ok 20555 263: ok 20556 263: ok 20557 263: ok 20558 263: ok 20559 263: ok 20560 263: ok 20561 263: ok 20562 263: ok 20563 263: ok 20564 263: ok 20565 263: ok 20566 263: ok 20567 263: ok 20568 263: ok 20569 263: ok 20570 263: ok 20571 263: ok 20572 263: ok 20573 263: ok 20574 263: ok 20575 263: ok 20576 263: ok 20577 263: ok 20578 263: ok 20579 263: ok 20580 263: ok 20581 263: ok 20582 263: ok 20583 263: ok 20584 263: ok 20585 263: ok 20586 263: ok 20587 263: ok 20588 263: ok 20589 263: ok 20590 263: ok 20591 263: ok 20592 263: ok 20593 263: ok 20594 263: ok 20595 263: ok 20596 263: ok 20597 263: ok 20598 263: ok 20599 263: ok 20600 263: ok 20601 263: ok 20602 263: ok 20603 263: ok 20604 263: ok 20605 263: ok 20606 263: ok 20607 263: ok 20608 263: ok 20609 263: ok 20610 263: ok 20611 263: ok 20612 263: ok 20613 263: ok 20614 263: ok 20615 263: ok 20616 263: ok 20617 263: ok 20618 263: ok 20619 263: ok 20620 263: ok 20621 263: ok 20622 263: ok 20623 263: ok 20624 263: ok 20625 263: ok 20626 263: ok 20627 263: ok 20628 263: ok 20629 263: ok 20630 263: ok 20631 263: ok 20632 263: ok 20633 263: ok 20634 263: ok 20635 263: ok 20636 263: ok 20637 263: ok 20638 263: ok 20639 263: ok 20640 263: ok 20641 263: ok 20642 263: ok 20643 263: ok 20644 263: ok 20645 263: ok 20646 263: ok 20647 263: ok 20648 263: ok 20649 263: ok 20650 263: ok 20651 263: ok 20652 263: ok 20653 263: ok 20654 263: ok 20655 263: ok 20656 263: ok 20657 263: ok 20658 263: ok 20659 263: ok 20660 263: ok 20661 263: ok 20662 263: ok 20663 263: ok 20664 263: ok 20665 263: ok 20666 263: ok 20667 263: ok 20668 263: ok 20669 263: ok 20670 263: ok 20671 263: ok 20672 263: ok 20673 263: ok 20674 263: ok 20675 263: ok 20676 263: ok 20677 263: ok 20678 263: ok 20679 263: ok 20680 263: ok 20681 263: ok 20682 263: ok 20683 263: ok 20684 263: ok 20685 263: ok 20686 263: ok 20687 263: ok 20688 263: ok 20689 263: ok 20690 263: ok 20691 263: ok 20692 263: ok 20693 263: ok 20694 263: ok 20695 263: ok 20696 263: ok 20697 263: ok 20698 263: ok 20699 263: ok 20700 263: ok 20701 263: ok 20702 263: ok 20703 263: ok 20704 263: ok 20705 263: ok 20706 263: ok 20707 263: ok 20708 263: ok 20709 263: ok 20710 263: ok 20711 263: ok 20712 263: ok 20713 263: ok 20714 263: ok 20715 263: ok 20716 263: ok 20717 263: ok 20718 263: ok 20719 263: ok 20720 263: ok 20721 263: ok 20722 263: ok 20723 263: ok 20724 263: ok 20725 263: ok 20726 263: ok 20727 263: ok 20728 263: ok 20729 263: ok 20730 263: ok 20731 263: ok 20732 263: ok 20733 263: ok 20734 263: ok 20735 263: ok 20736 263: ok 20737 263: ok 20738 263: ok 20739 263: ok 20740 263: ok 20741 263: ok 20742 263: ok 20743 263: ok 20744 263: ok 20745 263: ok 20746 263: ok 20747 263: ok 20748 263: ok 20749 263: ok 20750 263: ok 20751 263: ok 20752 263: ok 20753 263: ok 20754 263: ok 20755 263: ok 20756 263: ok 20757 263: ok 20758 263: ok 20759 263: ok 20760 263: ok 20761 263: ok 20762 263: ok 20763 263: ok 20764 263: ok 20765 263: ok 20766 263: ok 20767 263: ok 20768 263: ok 20769 263: ok 20770 263: ok 20771 263: ok 20772 263: ok 20773 263: ok 20774 263: ok 20775 263: ok 20776 263: ok 20777 263: ok 20778 263: ok 20779 263: ok 20780 263: ok 20781 263: ok 20782 263: ok 20783 263: ok 20784 263: ok 20785 263: ok 20786 263: ok 20787 263: ok 20788 263: ok 20789 263: ok 20790 263: ok 20791 263: ok 20792 263: ok 20793 263: ok 20794 263: ok 20795 263: ok 20796 263: ok 20797 263: ok 20798 263: ok 20799 263: ok 20800 263: ok 20801 263: ok 20802 263: ok 20803 263: ok 20804 263: ok 20805 263: ok 20806 263: ok 20807 263: ok 20808 263: ok 20809 263: ok 20810 263: ok 20811 263: ok 20812 263: ok 20813 263: ok 20814 263: ok 20815 263: ok 20816 263: ok 20817 263: ok 20818 263: ok 20819 263: ok 20820 263: ok 20821 263: ok 20822 263: ok 20823 263: ok 20824 263: ok 20825 263: ok 20826 263: ok 20827 263: ok 20828 263: ok 20829 263: ok 20830 263: ok 20831 263: ok 20832 263: ok 20833 263: ok 20834 263: ok 20835 263: ok 20836 263: ok 20837 263: ok 20838 263: ok 20839 263: ok 20840 263: ok 20841 263: ok 20842 263: ok 20843 263: ok 20844 263: ok 20845 263: ok 20846 263: ok 20847 263: ok 20848 263: ok 20849 263: ok 20850 263: ok 20851 263: ok 20852 263: ok 20853 263: ok 20854 263: ok 20855 263: ok 20856 263: ok 20857 263: ok 20858 263: ok 20859 263: ok 20860 263: ok 20861 263: ok 20862 263: ok 20863 263: ok 20864 263: ok 20865 263: ok 20866 263: ok 20867 263: ok 20868 263: ok 20869 263: ok 20870 263: ok 20871 263: ok 20872 263: ok 20873 263: ok 20874 263: ok 20875 263: ok 20876 263: ok 20877 263: ok 20878 263: ok 20879 263: ok 20880 263: ok 20881 263: ok 20882 263: ok 20883 263: ok 20884 263: ok 20885 263: ok 20886 263: ok 20887 263: ok 20888 263: ok 20889 263: ok 20890 263: ok 20891 263: ok 20892 263: ok 20893 263: ok 20894 263: ok 20895 263: ok 20896 263: ok 20897 263: ok 20898 263: ok 20899 263: ok 20900 263: ok 20901 263: ok 20902 263: ok 20903 263: ok 20904 263: ok 20905 263: ok 20906 263: ok 20907 263: ok 20908 263: ok 20909 263: ok 20910 263: ok 20911 263: ok 20912 263: ok 20913 263: ok 20914 263: ok 20915 263: ok 20916 263: ok 20917 263: ok 20918 263: ok 20919 263: ok 20920 263: ok 20921 263: ok 20922 263: ok 20923 263: ok 20924 263: ok 20925 263: ok 20926 263: ok 20927 263: ok 20928 263: ok 20929 263: ok 20930 263: ok 20931 263: ok 20932 263: ok 20933 263: ok 20934 263: ok 20935 263: ok 20936 263: ok 20937 263: ok 20938 263: ok 20939 263: ok 20940 263: ok 20941 263: ok 20942 263: ok 20943 263: ok 20944 263: ok 20945 263: ok 20946 263: ok 20947 263: ok 20948 263: ok 20949 263: ok 20950 263: ok 20951 263: ok 20952 263: ok 20953 263: ok 20954 263: ok 20955 263: ok 20956 263: ok 20957 263: ok 20958 263: ok 20959 263: ok 20960 263: ok 20961 263: ok 20962 263: ok 20963 263: ok 20964 263: ok 20965 263: ok 20966 263: ok 20967 263: ok 20968 263: ok 20969 263: ok 20970 263: ok 20971 263: ok 20972 263: ok 20973 263: ok 20974 263: ok 20975 263: ok 20976 263: ok 20977 263: ok 20978 263: ok 20979 263: ok 20980 263: ok 20981 263: ok 20982 263: ok 20983 263: ok 20984 263: ok 20985 263: ok 20986 263: ok 20987 263: ok 20988 263: ok 20989 263: ok 20990 263: ok 20991 263: ok 20992 263: ok 20993 263: ok 20994 263: ok 20995 263: ok 20996 263: ok 20997 263: ok 20998 263: ok 20999 263: ok 21000 263: ok 21001 263: ok 21002 263: ok 21003 263: ok 21004 263: ok 21005 263: ok 21006 263: ok 21007 263: ok 21008 263: ok 21009 263: ok 21010 263: ok 21011 263: ok 21012 263: ok 21013 263: ok 21014 263: ok 21015 263: ok 21016 263: ok 21017 263: ok 21018 263: ok 21019 263: ok 21020 263: ok 21021 263: ok 21022 263: ok 21023 263: ok 21024 263: ok 21025 263: ok 21026 263: ok 21027 263: ok 21028 263: ok 21029 263: ok 21030 263: ok 21031 263: ok 21032 263: ok 21033 263: ok 21034 263: ok 21035 263: ok 21036 263: ok 21037 263: ok 21038 263: ok 21039 263: ok 21040 263: ok 21041 263: ok 21042 263: ok 21043 263: ok 21044 263: ok 21045 263: ok 21046 263: ok 21047 263: ok 21048 263: ok 21049 263: ok 21050 263: ok 21051 263: ok 21052 263: ok 21053 263: ok 21054 263: ok 21055 263: ok 21056 263: ok 21057 263: ok 21058 263: ok 21059 263: ok 21060 263: ok 21061 263: ok 21062 263: ok 21063 263: ok 21064 263: ok 21065 263: ok 21066 263: ok 21067 263: ok 21068 263: ok 21069 263: ok 21070 263: ok 21071 263: ok 21072 263: ok 21073 263: ok 21074 263: ok 21075 263: ok 21076 263: ok 21077 263: ok 21078 263: ok 21079 263: ok 21080 263: ok 21081 263: ok 21082 263: ok 21083 263: ok 21084 263: ok 21085 263: ok 21086 263: ok 21087 263: ok 21088 263: ok 21089 263: ok 21090 263: ok 21091 263: ok 21092 263: ok 21093 263: ok 21094 263: ok 21095 263: ok 21096 263: ok 21097 263: ok 21098 263: ok 21099 263: ok 21100 263: ok 21101 263: ok 21102 263: ok 21103 263: ok 21104 263: ok 21105 263: ok 21106 263: ok 21107 263: ok 21108 263: ok 21109 263: ok 21110 263: ok 21111 263: ok 21112 263: ok 21113 263: ok 21114 263: ok 21115 263: ok 21116 263: ok 21117 263: ok 21118 263: ok 21119 263: ok 21120 263: ok 21121 263: ok 21122 263: ok 21123 263: ok 21124 263: ok 21125 263: ok 21126 263: ok 21127 263: ok 21128 263: ok 21129 263: ok 21130 263: ok 21131 263: ok 21132 263: ok 21133 263: ok 21134 263: ok 21135 263: ok 21136 263: ok 21137 263: ok 21138 263: ok 21139 263: ok 21140 263: ok 21141 263: ok 21142 263: ok 21143 263: ok 21144 263: ok 21145 263: ok 21146 263: ok 21147 263: ok 21148 263: ok 21149 263: ok 21150 263: ok 21151 263: ok 21152 263: ok 21153 263: ok 21154 263: ok 21155 263: ok 21156 263: ok 21157 263: ok 21158 263: ok 21159 263: ok 21160 263: ok 21161 263: ok 21162 263: ok 21163 263: ok 21164 263: ok 21165 263: ok 21166 263: ok 21167 263: ok 21168 263: ok 21169 263: ok 21170 263: ok 21171 263: ok 21172 263: ok 21173 263: ok 21174 263: ok 21175 263: ok 21176 263: ok 21177 263: ok 21178 263: ok 21179 263: ok 21180 263: ok 21181 263: ok 21182 263: ok 21183 263: ok 21184 263: ok 21185 263: ok 21186 263: ok 21187 263: ok 21188 263: ok 21189 263: ok 21190 263: ok 21191 263: ok 21192 263: ok 21193 263: ok 21194 263: ok 21195 263: ok 21196 263: ok 21197 263: ok 21198 263: ok 21199 263: ok 21200 263: ok 21201 263: ok 21202 263: ok 21203 263: ok 21204 263: ok 21205 263: ok 21206 263: ok 21207 263: ok 21208 263: ok 21209 263: ok 21210 263: ok 21211 263: ok 21212 263: ok 21213 263: ok 21214 263: ok 21215 263: ok 21216 263: ok 21217 263: ok 21218 263: ok 21219 263: ok 21220 263: ok 21221 263: ok 21222 263: ok 21223 263: ok 21224 263: ok 21225 263: ok 21226 263: ok 21227 263: ok 21228 263: ok 21229 263: ok 21230 263: ok 21231 263: ok 21232 263: ok 21233 263: ok 21234 263: ok 21235 263: ok 21236 263: ok 21237 263: ok 21238 263: ok 21239 263: ok 21240 263: ok 21241 263: ok 21242 263: ok 21243 263: ok 21244 263: ok 21245 263: ok 21246 263: ok 21247 263: ok 21248 263: ok 21249 263: ok 21250 263: ok 21251 263: ok 21252 263: ok 21253 263: ok 21254 263: ok 21255 263: ok 21256 263: ok 21257 263: ok 21258 263: ok 21259 263: ok 21260 263: ok 21261 263: ok 21262 263: ok 21263 263: ok 21264 263: ok 21265 263: ok 21266 263: ok 21267 263: ok 21268 263: ok 21269 263: ok 21270 263: ok 21271 263: ok 21272 263: ok 21273 263: ok 21274 263: ok 21275 263: ok 21276 263: ok 21277 263: ok 21278 263: ok 21279 263: ok 21280 263: ok 21281 263: ok 21282 263: ok 21283 263: ok 21284 263: ok 21285 263: ok 21286 263: ok 21287 263: ok 21288 263: ok 21289 263: ok 21290 263: ok 21291 263: ok 21292 263: ok 21293 263: ok 21294 263: ok 21295 263: ok 21296 263: ok 21297 263: ok 21298 263: ok 21299 263: ok 21300 263: ok 21301 263: ok 21302 263: ok 21303 263: ok 21304 263: ok 21305 263: ok 21306 263: ok 21307 263: ok 21308 263: ok 21309 263: ok 21310 263: ok 21311 263: ok 21312 263: ok 21313 263: ok 21314 263: ok 21315 263: ok 21316 263: ok 21317 263: ok 21318 263: ok 21319 263: ok 21320 263: ok 21321 263: ok 21322 263: ok 21323 263: ok 21324 263: ok 21325 263: ok 21326 263: ok 21327 263: ok 21328 263: ok 21329 263: ok 21330 263: ok 21331 263: ok 21332 263: ok 21333 263: ok 21334 263: ok 21335 263: ok 21336 263: ok 21337 263: ok 21338 263: ok 21339 263: ok 21340 263: ok 21341 263: ok 21342 263: ok 21343 263: ok 21344 263: ok 21345 263: ok 21346 263: ok 21347 263: ok 21348 263: ok 21349 263: ok 21350 263: ok 21351 263: ok 21352 263: ok 21353 263: ok 21354 263: ok 21355 263: ok 21356 263: ok 21357 263: ok 21358 263: ok 21359 263: ok 21360 263: ok 21361 263: ok 21362 263: ok 21363 263: ok 21364 263: ok 21365 263: ok 21366 263: ok 21367 263: ok 21368 263: ok 21369 263: ok 21370 263: ok 21371 263: ok 21372 263: ok 21373 263: ok 21374 263: ok 21375 263: ok 21376 263: ok 21377 263: ok 21378 263: ok 21379 263: ok 21380 263: ok 21381 263: ok 21382 263: ok 21383 263: ok 21384 263: ok 21385 263: ok 21386 263: ok 21387 263: ok 21388 263: ok 21389 263: ok 21390 263: ok 21391 263: ok 21392 263: ok 21393 263: ok 21394 263: ok 21395 263: ok 21396 263: ok 21397 263: ok 21398 263: ok 21399 263: ok 21400 263: ok 21401 263: ok 21402 263: ok 21403 263: ok 21404 263: ok 21405 263: ok 21406 263: ok 21407 263: ok 21408 263: ok 21409 263: ok 21410 263: ok 21411 263: ok 21412 263: ok 21413 263: ok 21414 263: ok 21415 263: ok 21416 263: ok 21417 263: ok 21418 263: ok 21419 263: ok 21420 263: ok 21421 263: ok 21422 263: ok 21423 263: ok 21424 263: ok 21425 263: ok 21426 263: ok 21427 263: ok 21428 263: ok 21429 263: ok 21430 263: ok 21431 263: ok 21432 263: ok 21433 263: ok 21434 263: ok 21435 263: ok 21436 263: ok 21437 263: ok 21438 263: ok 21439 263: ok 21440 263: ok 21441 263: ok 21442 263: ok 21443 263: ok 21444 263: ok 21445 263: ok 21446 263: ok 21447 263: ok 21448 263: ok 21449 263: ok 21450 263: ok 21451 263: ok 21452 263: ok 21453 263: ok 21454 263: ok 21455 263: ok 21456 263: ok 21457 263: ok 21458 263: ok 21459 263: ok 21460 263: ok 21461 263: ok 21462 263: ok 21463 263: ok 21464 263: ok 21465 263: ok 21466 263: ok 21467 263: ok 21468 263: ok 21469 263: ok 21470 263: ok 21471 263: ok 21472 263: ok 21473 263: ok 21474 263: ok 21475 263: ok 21476 263: ok 21477 263: ok 21478 263: ok 21479 263: ok 21480 263: ok 21481 263: ok 21482 263: ok 21483 263: ok 21484 263: ok 21485 263: ok 21486 263: ok 21487 263: ok 21488 263: ok 21489 263: ok 21490 263: ok 21491 263: ok 21492 263: ok 21493 263: ok 21494 263: ok 21495 263: ok 21496 263: ok 21497 263: ok 21498 263: ok 21499 263: ok 21500 263: ok 21501 263: ok 21502 263: ok 21503 263: ok 21504 263: ok 21505 263: ok 21506 263: ok 21507 263: ok 21508 263: ok 21509 263: ok 21510 263: ok 21511 263: ok 21512 263: ok 21513 263: ok 21514 263: ok 21515 263: ok 21516 263: ok 21517 263: ok 21518 263: ok 21519 263: ok 21520 263: ok 21521 263: ok 21522 263: ok 21523 263: ok 21524 263: ok 21525 263: ok 21526 263: ok 21527 263: ok 21528 263: ok 21529 263: ok 21530 263: ok 21531 263: ok 21532 263: ok 21533 263: ok 21534 263: ok 21535 263: ok 21536 263: ok 21537 263: ok 21538 263: ok 21539 263: ok 21540 263: ok 21541 263: ok 21542 263: ok 21543 263: ok 21544 263: ok 21545 263: ok 21546 263: ok 21547 263: ok 21548 263: ok 21549 263: ok 21550 263: ok 21551 263: ok 21552 263: ok 21553 263: ok 21554 263: ok 21555 263: ok 21556 263: ok 21557 263: ok 21558 263: ok 21559 263: ok 21560 263: ok 21561 263: ok 21562 263: ok 21563 263: ok 21564 263: ok 21565 263: ok 21566 263: ok 21567 263: ok 21568 263: ok 21569 263: ok 21570 263: ok 21571 263: ok 21572 263: ok 21573 263: ok 21574 263: ok 21575 263: ok 21576 263: ok 21577 263: ok 21578 263: ok 21579 263: ok 21580 263: ok 21581 263: ok 21582 263: ok 21583 263: ok 21584 263: ok 21585 263: ok 21586 263: ok 21587 263: ok 21588 263: ok 21589 263: ok 21590 263: ok 21591 263: ok 21592 263: ok 21593 263: ok 21594 263: ok 21595 263: ok 21596 263: ok 21597 263: ok 21598 263: ok 21599 263: ok 21600 263: ok 21601 263: ok 21602 263: ok 21603 263: ok 21604 263: ok 21605 263: ok 21606 263: ok 21607 263: ok 21608 263: ok 21609 263: ok 21610 263: ok 21611 263: ok 21612 263: ok 21613 263: ok 21614 263: ok 21615 263: ok 21616 263: ok 21617 263: ok 21618 263: ok 21619 263: ok 21620 263: ok 21621 263: ok 21622 263: ok 21623 263: ok 21624 263: ok 21625 263: ok 21626 263: ok 21627 263: ok 21628 263: ok 21629 263: ok 21630 263: ok 21631 263: ok 21632 263: ok 21633 263: ok 21634 263: ok 21635 263: ok 21636 263: ok 21637 263: ok 21638 263: ok 21639 263: ok 21640 263: ok 21641 263: ok 21642 263: ok 21643 263: ok 21644 263: ok 21645 263: ok 21646 263: ok 21647 263: ok 21648 263: ok 21649 263: ok 21650 263: ok 21651 263: ok 21652 263: ok 21653 263: ok 21654 263: ok 21655 263: ok 21656 263: ok 21657 263: ok 21658 263: ok 21659 263: ok 21660 263: ok 21661 263: ok 21662 263: ok 21663 263: ok 21664 263: ok 21665 263: ok 21666 263: ok 21667 263: ok 21668 263: ok 21669 263: ok 21670 263: ok 21671 263: ok 21672 263: ok 21673 263: ok 21674 263: ok 21675 263: ok 21676 263: ok 21677 263: ok 21678 263: ok 21679 263: ok 21680 263: ok 21681 263: ok 21682 263: ok 21683 263: ok 21684 263: ok 21685 263: ok 21686 263: ok 21687 263: ok 21688 263: ok 21689 263: ok 21690 263: ok 21691 263: ok 21692 263: ok 21693 263: ok 21694 263: ok 21695 263: ok 21696 263: ok 21697 263: ok 21698 263: ok 21699 263: ok 21700 263: ok 21701 263: ok 21702 263: ok 21703 263: ok 21704 263: ok 21705 263: ok 21706 263: ok 21707 263: ok 21708 263: ok 21709 263: ok 21710 263: ok 21711 263: ok 21712 263: ok 21713 263: ok 21714 263: ok 21715 263: ok 21716 263: ok 21717 263: ok 21718 263: ok 21719 263: ok 21720 263: ok 21721 263: ok 21722 263: ok 21723 263: ok 21724 263: ok 21725 263: ok 21726 263: ok 21727 263: ok 21728 263: ok 21729 263: ok 21730 263: ok 21731 263: ok 21732 263: ok 21733 263: ok 21734 263: ok 21735 263: ok 21736 263: ok 21737 263: ok 21738 263: ok 21739 263: ok 21740 263: ok 21741 263: ok 21742 263: ok 21743 263: ok 21744 263: ok 21745 263: ok 21746 263: ok 21747 263: ok 21748 263: ok 21749 263: ok 21750 263: ok 21751 263: ok 21752 263: ok 21753 263: ok 21754 263: ok 21755 263: ok 21756 263: ok 21757 263: ok 21758 263: ok 21759 263: ok 21760 263: ok 21761 263: ok 21762 263: ok 21763 263: ok 21764 263: ok 21765 263: ok 21766 263: ok 21767 263: ok 21768 263: ok 21769 263: ok 21770 263: ok 21771 263: ok 21772 263: ok 21773 263: ok 21774 263: ok 21775 263: ok 21776 263: ok 21777 263: ok 21778 263: ok 21779 263: ok 21780 263: ok 21781 263: ok 21782 263: ok 21783 263: ok 21784 263: ok 21785 263: ok 21786 263: ok 21787 263: ok 21788 263: ok 21789 263: ok 21790 263: ok 21791 263: ok 21792 263: ok 21793 263: ok 21794 263: ok 21795 263: ok 21796 263: ok 21797 263: ok 21798 263: ok 21799 263: ok 21800 263: ok 21801 263: ok 21802 263: ok 21803 263: ok 21804 263: ok 21805 263: ok 21806 263: ok 21807 263: ok 21808 263: ok 21809 263: ok 21810 263: ok 21811 263: ok 21812 263: ok 21813 263: ok 21814 263: ok 21815 263: ok 21816 263: ok 21817 263: ok 21818 263: ok 21819 263: ok 21820 263: ok 21821 263: ok 21822 263: ok 21823 263: ok 21824 263: ok 21825 263: ok 21826 263: ok 21827 263: ok 21828 263: ok 21829 263: ok 21830 263: ok 21831 263: ok 21832 263: ok 21833 263: ok 21834 263: ok 21835 263: ok 21836 263: ok 21837 263: ok 21838 263: ok 21839 263: ok 21840 263: ok 21841 263: ok 21842 263: ok 21843 263: ok 21844 263: ok 21845 263: ok 21846 263: ok 21847 263: ok 21848 263: ok 21849 263: ok 21850 263: ok 21851 263: ok 21852 263: ok 21853 263: ok 21854 263: ok 21855 263: ok 21856 263: ok 21857 263: ok 21858 263: ok 21859 263: ok 21860 263: ok 21861 263: ok 21862 263: ok 21863 263: ok 21864 263: ok 21865 263: ok 21866 263: ok 21867 263: ok 21868 263: ok 21869 263: ok 21870 263: ok 21871 263: ok 21872 263: ok 21873 263: ok 21874 263: ok 21875 263: ok 21876 263: ok 21877 263: ok 21878 263: ok 21879 263: ok 21880 263: ok 21881 263: ok 21882 263: ok 21883 263: ok 21884 263: ok 21885 263: ok 21886 263: ok 21887 263: ok 21888 263: ok 21889 263: ok 21890 263: ok 21891 263: ok 21892 263: ok 21893 263: ok 21894 263: ok 21895 263: ok 21896 263: ok 21897 263: ok 21898 263: ok 21899 263: ok 21900 263: ok 21901 263: ok 21902 263: ok 21903 263: ok 21904 263: ok 21905 263: ok 21906 263: ok 21907 263: ok 21908 263: ok 21909 263: ok 21910 263: ok 21911 263: ok 21912 263: ok 21913 263: ok 21914 263: ok 21915 263: ok 21916 263: ok 21917 263: ok 21918 263: ok 21919 263: ok 21920 263: ok 21921 263: ok 21922 263: ok 21923 263: ok 21924 263: ok 21925 263: ok 21926 263: ok 21927 263: ok 21928 263: ok 21929 263: ok 21930 263: ok 21931 263: ok 21932 263: ok 21933 263: ok 21934 263: ok 21935 263: ok 21936 263: ok 21937 263: ok 21938 263: ok 21939 263: ok 21940 263: ok 21941 263: ok 21942 263: ok 21943 263: ok 21944 263: ok 21945 263: ok 21946 263: ok 21947 263: ok 21948 263: ok 21949 263: ok 21950 263: ok 21951 263: ok 21952 263: ok 21953 263: ok 21954 263: ok 21955 263: ok 21956 263: ok 21957 263: ok 21958 263: ok 21959 263: ok 21960 263: ok 21961 263: ok 21962 263: ok 21963 263: ok 21964 263: ok 21965 263: ok 21966 263: ok 21967 263: ok 21968 263: ok 21969 263: ok 21970 263: ok 21971 263: ok 21972 263: ok 21973 263: ok 21974 263: ok 21975 263: ok 21976 263: ok 21977 263: ok 21978 263: ok 21979 263: ok 21980 263: ok 21981 263: ok 21982 263: ok 21983 263: ok 21984 263: ok 21985 263: ok 21986 263: ok 21987 263: ok 21988 263: ok 21989 263: ok 21990 263: ok 21991 263: ok 21992 263: ok 21993 263: ok 21994 263: ok 21995 263: ok 21996 263: ok 21997 263: ok 21998 263: ok 21999 263: ok 22000 263: ok 22001 263: ok 22002 263: ok 22003 263: ok 22004 263: ok 22005 263: ok 22006 263: ok 22007 263: ok 22008 263: ok 22009 263: ok 22010 263: ok 22011 263: ok 22012 263: ok 22013 263: ok 22014 263: ok 22015 263: ok 22016 263: ok 22017 263: ok 22018 263: ok 22019 263: ok 22020 263: ok 22021 263: ok 22022 263: ok 22023 263: ok 22024 263: ok 22025 263: ok 22026 263: ok 22027 263: ok 22028 263: ok 22029 263: ok 22030 263: ok 22031 263: ok 22032 263: ok 22033 263: ok 22034 263: ok 22035 263: ok 22036 263: ok 22037 263: ok 22038 263: ok 22039 263: ok 22040 263: ok 22041 263: ok 22042 263: ok 22043 263: ok 22044 263: ok 22045 263: ok 22046 263: ok 22047 263: ok 22048 263: ok 22049 263: ok 22050 263: ok 22051 263: ok 22052 263: ok 22053 263: ok 22054 263: ok 22055 263: ok 22056 263: ok 22057 263: ok 22058 263: ok 22059 263: ok 22060 263: ok 22061 263: ok 22062 263: ok 22063 263: ok 22064 263: ok 22065 263: ok 22066 263: ok 22067 263: ok 22068 263: ok 22069 263: ok 22070 263: ok 22071 263: ok 22072 263: ok 22073 263: ok 22074 263: ok 22075 263: ok 22076 263: ok 22077 263: ok 22078 263: ok 22079 263: ok 22080 263: ok 22081 263: ok 22082 263: ok 22083 263: ok 22084 263: ok 22085 263: ok 22086 263: ok 22087 263: ok 22088 263: ok 22089 263: ok 22090 263: ok 22091 263: ok 22092 263: ok 22093 263: ok 22094 263: ok 22095 263: ok 22096 263: ok 22097 263: ok 22098 263: ok 22099 263: ok 22100 263: ok 22101 263: ok 22102 263: ok 22103 263: ok 22104 263: ok 22105 263: ok 22106 263: ok 22107 263: ok 22108 263: ok 22109 263: ok 22110 263: ok 22111 263: ok 22112 263: ok 22113 263: ok 22114 263: ok 22115 263: ok 22116 263: ok 22117 263: ok 22118 263: ok 22119 263: ok 22120 263: ok 22121 263: ok 22122 263: ok 22123 263: ok 22124 263: ok 22125 263: ok 22126 263: ok 22127 263: ok 22128 263: ok 22129 263: ok 22130 263: ok 22131 263: ok 22132 263: ok 22133 263: ok 22134 263: ok 22135 263: ok 22136 263: ok 22137 263: ok 22138 263: ok 22139 263: ok 22140 263: ok 22141 263: ok 22142 263: ok 22143 263: ok 22144 263: ok 22145 263: ok 22146 263: ok 22147 263: ok 22148 263: ok 22149 263: ok 22150 263: ok 22151 263: ok 22152 263: ok 22153 263: ok 22154 263: ok 22155 263: ok 22156 263: ok 22157 263: ok 22158 263: ok 22159 263: ok 22160 263: ok 22161 263: ok 22162 263: ok 22163 263: ok 22164 263: ok 22165 263: ok 22166 263: ok 22167 263: ok 22168 263: ok 22169 263: ok 22170 263: ok 22171 263: ok 22172 263: ok 22173 263: ok 22174 263: ok 22175 263: ok 22176 263: ok 22177 263: ok 22178 263: ok 22179 263: ok 22180 263: ok 22181 263: ok 22182 263: ok 22183 263: ok 22184 263: ok 22185 263: ok 22186 263: ok 22187 263: ok 22188 263: ok 22189 263: ok 22190 263: ok 22191 263: ok 22192 263: ok 22193 263: ok 22194 263: ok 22195 263: ok 22196 263: ok 22197 263: ok 22198 263: ok 22199 263: ok 22200 263: ok 22201 263: ok 22202 263: ok 22203 263: ok 22204 263: ok 22205 263: ok 22206 263: ok 22207 263: ok 22208 263: ok 22209 263: ok 22210 263: ok 22211 263: ok 22212 263: ok 22213 263: ok 22214 263: ok 22215 263: ok 22216 263: ok 22217 263: ok 22218 263: ok 22219 263: ok 22220 263: ok 22221 263: ok 22222 263: ok 22223 263: ok 22224 263: ok 22225 263: ok 22226 263: ok 22227 263: ok 22228 263: ok 22229 263: ok 22230 263: ok 22231 263: ok 22232 263: ok 22233 263: ok 22234 263: ok 22235 263: ok 22236 263: ok 22237 263: ok 22238 263: ok 22239 263: ok 22240 263: ok 22241 263: ok 22242 263: ok 22243 263: ok 22244 263: ok 22245 263: ok 22246 263: ok 22247 263: ok 22248 263: ok 22249 263: ok 22250 263: ok 22251 263: ok 22252 263: ok 22253 263: ok 22254 263: ok 22255 263: ok 22256 263: ok 22257 263: ok 22258 263: ok 22259 263: ok 22260 263: ok 22261 263: ok 22262 263: ok 22263 263: ok 22264 263: ok 22265 263: ok 22266 263: ok 22267 263: ok 22268 263: ok 22269 263: ok 22270 263: ok 22271 263: ok 22272 263: ok 22273 263: ok 22274 263: ok 22275 263: ok 22276 263: ok 22277 263: ok 22278 263: ok 22279 263: ok 22280 263: ok 22281 263: ok 22282 263: ok 22283 263: ok 22284 263: ok 22285 263: ok 22286 263: ok 22287 263: ok 22288 263: ok 22289 263: ok 22290 263: ok 22291 263: ok 22292 263: ok 22293 263: ok 22294 263: ok 22295 263: ok 22296 263: ok 22297 263: ok 22298 263: ok 22299 263: ok 22300 263: ok 22301 263: ok 22302 263: ok 22303 263: ok 22304 263: ok 22305 263: ok 22306 263: ok 22307 263: ok 22308 263: ok 22309 263: ok 22310 263: ok 22311 263: ok 22312 263: ok 22313 263: ok 22314 263: ok 22315 263: ok 22316 263: ok 22317 263: ok 22318 263: ok 22319 263: ok 22320 263: ok 22321 263: ok 22322 263: ok 22323 263: ok 22324 263: ok 22325 263: ok 22326 263: ok 22327 263: ok 22328 263: ok 22329 263: ok 22330 263: ok 22331 263: ok 22332 263: ok 22333 263: ok 22334 263: ok 22335 263: ok 22336 263: ok 22337 263: ok 22338 263: ok 22339 263: ok 22340 263: ok 22341 263: ok 22342 263: ok 22343 263: ok 22344 263: ok 22345 263: ok 22346 263: ok 22347 263: ok 22348 263: ok 22349 263: ok 22350 263: ok 22351 263: ok 22352 263: ok 22353 263: ok 22354 263: ok 22355 263: ok 22356 263: ok 22357 263: ok 22358 263: ok 22359 263: ok 22360 263: ok 22361 263: ok 22362 263: ok 22363 263: ok 22364 263: ok 22365 263: ok 22366 263: ok 22367 263: ok 22368 263: ok 22369 263: ok 22370 263: ok 22371 263: ok 22372 263: ok 22373 263: ok 22374 263: ok 22375 263: ok 22376 263: ok 22377 263: ok 22378 263: ok 22379 263: ok 22380 263: ok 22381 263: ok 22382 263: ok 22383 263: ok 22384 263: ok 22385 263: ok 22386 263: ok 22387 263: ok 22388 263: ok 22389 263: ok 22390 263: ok 22391 263: ok 22392 263: ok 22393 263: ok 22394 263: ok 22395 263: ok 22396 263: ok 22397 263: ok 22398 263: ok 22399 263: ok 22400 263: ok 22401 263: ok 22402 263: ok 22403 263: ok 22404 263: ok 22405 263: ok 22406 263: ok 22407 263: ok 22408 263: ok 22409 263: ok 22410 263: ok 22411 263: ok 22412 263: ok 22413 263: ok 22414 263: ok 22415 263: ok 22416 263: ok 22417 263: ok 22418 263: ok 22419 263: ok 22420 263: ok 22421 263: ok 22422 263: ok 22423 263: ok 22424 263: ok 22425 263: ok 22426 263: ok 22427 263: ok 22428 263: ok 22429 263: ok 22430 263: ok 22431 263: ok 22432 263: ok 22433 263: ok 22434 263: ok 22435 263: ok 22436 263: ok 22437 263: ok 22438 263: ok 22439 263: ok 22440 263: ok 22441 263: ok 22442 263: ok 22443 263: ok 22444 263: ok 22445 263: ok 22446 263: ok 22447 263: ok 22448 263: ok 22449 263: ok 22450 263: ok 22451 263: ok 22452 263: ok 22453 263: ok 22454 263: ok 22455 263: ok 22456 263: ok 22457 263: ok 22458 263: ok 22459 263: ok 22460 263: ok 22461 263: ok 22462 263: ok 22463 263: ok 22464 263: ok 22465 263: ok 22466 263: ok 22467 263: ok 22468 263: ok 22469 263: ok 22470 263: ok 22471 263: ok 22472 263: ok 22473 263: ok 22474 263: ok 22475 263: ok 22476 263: ok 22477 263: ok 22478 263: ok 22479 263: ok 22480 263: ok 22481 263: ok 22482 263: ok 22483 263: ok 22484 263: ok 22485 263: ok 22486 263: ok 22487 263: ok 22488 263: ok 22489 263: ok 22490 263: ok 22491 263: ok 22492 263: ok 22493 263: ok 22494 263: ok 22495 263: ok 22496 263: ok 22497 263: ok 22498 263: ok 22499 263: ok 22500 263: ok 22501 263: ok 22502 263: ok 22503 263: ok 22504 263: ok 22505 263: ok 22506 263: ok 22507 263: ok 22508 263: ok 22509 263: ok 22510 263: ok 22511 263: ok 22512 263: ok 22513 263: ok 22514 263: ok 22515 263: ok 22516 263: ok 22517 263: ok 22518 263: ok 22519 263: ok 22520 263: ok 22521 263: ok 22522 263: ok 22523 263: ok 22524 263: ok 22525 263: ok 22526 263: ok 22527 263: ok 22528 263: ok 22529 263: ok 22530 263: ok 22531 263: ok 22532 263: ok 22533 263: ok 22534 263: ok 22535 263: ok 22536 263: ok 22537 263: ok 22538 263: ok 22539 263: ok 22540 263: ok 22541 263: ok 22542 263: ok 22543 263: ok 22544 263: ok 22545 263: ok 22546 263: ok 22547 263: ok 22548 263: ok 22549 263: ok 22550 263: ok 22551 263: ok 22552 263: ok 22553 263: ok 22554 263: ok 22555 263: ok 22556 263: ok 22557 263: ok 22558 263: ok 22559 263: ok 22560 263: ok 22561 263: ok 22562 263: ok 22563 263: ok 22564 263: ok 22565 263: ok 22566 263: ok 22567 263: ok 22568 263: ok 22569 263: ok 22570 263: ok 22571 263: ok 22572 263: ok 22573 263: ok 22574 263: ok 22575 263: ok 22576 263: ok 22577 263: ok 22578 263: ok 22579 263: ok 22580 263: ok 22581 263: ok 22582 263: ok 22583 263: ok 22584 263: ok 22585 263: ok 22586 263: ok 22587 263: ok 22588 263: ok 22589 263: ok 22590 263: ok 22591 263: ok 22592 263: ok 22593 263: ok 22594 263: ok 22595 263: ok 22596 263: ok 22597 263: ok 22598 263: ok 22599 263: ok 22600 263: ok 22601 263: ok 22602 263: ok 22603 263: ok 22604 263: ok 22605 263: ok 22606 263: ok 22607 263: ok 22608 263: ok 22609 263: ok 22610 263: ok 22611 263: ok 22612 263: ok 22613 263: ok 22614 263: ok 22615 263: ok 22616 263: ok 22617 263: ok 22618 263: ok 22619 263: ok 22620 263: ok 22621 263: ok 22622 263: ok 22623 263: ok 22624 263: ok 22625 263: ok 22626 263: ok 22627 263: ok 22628 263: ok 22629 263: ok 22630 263: ok 22631 263: ok 22632 263: ok 22633 263: ok 22634 263: ok 22635 263: ok 22636 263: ok 22637 263: ok 22638 263: ok 22639 263: ok 22640 263: ok 22641 263: ok 22642 263: ok 22643 263: ok 22644 263: ok 22645 263: ok 22646 263: ok 22647 263: ok 22648 263: ok 22649 263: ok 22650 263: ok 22651 263: ok 22652 263: ok 22653 263: ok 22654 263: ok 22655 263: ok 22656 263: ok 22657 263: ok 22658 263: ok 22659 263: ok 22660 263: ok 22661 263: ok 22662 263: ok 22663 263: ok 22664 263: ok 22665 263: ok 22666 263: ok 22667 263: ok 22668 263: ok 22669 263: ok 22670 263: ok 22671 263: ok 22672 263: ok 22673 263: ok 22674 263: ok 22675 263: ok 22676 263: ok 22677 263: ok 22678 263: ok 22679 263: ok 22680 263: ok 22681 263: ok 22682 263: ok 22683 263: ok 22684 263: ok 22685 263: ok 22686 263: ok 22687 263: ok 22688 263: ok 22689 263: ok 22690 263: ok 22691 263: ok 22692 263: ok 22693 263: ok 22694 263: ok 22695 263: ok 22696 263: ok 22697 263: ok 22698 263: ok 22699 263: ok 22700 263: ok 22701 263: ok 22702 263: ok 22703 263: ok 22704 263: ok 22705 263: ok 22706 263: ok 22707 263: ok 22708 263: ok 22709 263: ok 22710 263: ok 22711 263: ok 22712 263: ok 22713 263: ok 22714 263: ok 22715 263: ok 22716 263: ok 22717 263: ok 22718 263: ok 22719 263: ok 22720 263: ok 22721 263: ok 22722 263: ok 22723 263: ok 22724 263: ok 22725 263: ok 22726 263: ok 22727 263: ok 22728 263: ok 22729 263: ok 22730 263: ok 22731 263: ok 22732 263: ok 22733 263: ok 22734 263: ok 22735 263: ok 22736 263: ok 22737 263: ok 22738 263: ok 22739 263: ok 22740 263: ok 22741 263: ok 22742 263: ok 22743 263: ok 22744 263: ok 22745 263: ok 22746 263: ok 22747 263: ok 22748 263: ok 22749 263: ok 22750 263: ok 22751 263: ok 22752 263: ok 22753 263: ok 22754 263: ok 22755 263: ok 22756 263: ok 22757 263: ok 22758 263: ok 22759 263: ok 22760 263: ok 22761 263: ok 22762 263: ok 22763 263: ok 22764 263: ok 22765 263: ok 22766 263: ok 22767 263: ok 22768 263: ok 22769 263: ok 22770 263: ok 22771 263: ok 22772 263: ok 22773 263: ok 22774 263: ok 22775 263: ok 22776 263: ok 22777 263: ok 22778 263: ok 22779 263: ok 22780 263: ok 22781 263: ok 22782 263: ok 22783 263: ok 22784 263: ok 22785 263: ok 22786 263: ok 22787 263: ok 22788 263: ok 22789 263: ok 22790 263: ok 22791 263: ok 22792 263: ok 22793 263: ok 22794 263: ok 22795 263: ok 22796 263: ok 22797 263: ok 22798 263: ok 22799 263: ok 22800 263: ok 22801 263: ok 22802 263: ok 22803 263: ok 22804 263: ok 22805 263: ok 22806 263: ok 22807 263: ok 22808 263: ok 22809 263: ok 22810 263: ok 22811 263: ok 22812 263: ok 22813 263: ok 22814 263: ok 22815 263: ok 22816 263: ok 22817 263: ok 22818 263: ok 22819 263: ok 22820 263: ok 22821 263: ok 22822 263: ok 22823 263: ok 22824 263: ok 22825 263: ok 22826 263: ok 22827 263: ok 22828 263: ok 22829 263: ok 22830 263: ok 22831 263: ok 22832 263: ok 22833 263: ok 22834 263: ok 22835 263: ok 22836 263: ok 22837 263: ok 22838 263: ok 22839 263: ok 22840 263: ok 22841 263: ok 22842 263: ok 22843 263: ok 22844 263: ok 22845 263: ok 22846 263: ok 22847 263: ok 22848 263: ok 22849 263: ok 22850 263: ok 22851 263: ok 22852 263: ok 22853 263: ok 22854 263: ok 22855 263: ok 22856 263: ok 22857 263: ok 22858 263: ok 22859 263: ok 22860 263: ok 22861 263: ok 22862 263: ok 22863 263: ok 22864 263: ok 22865 263: ok 22866 263: ok 22867 263: ok 22868 263: ok 22869 263: ok 22870 263: ok 22871 263: ok 22872 263: ok 22873 263: ok 22874 263: ok 22875 263: ok 22876 263: ok 22877 263: ok 22878 263: ok 22879 263: ok 22880 263: ok 22881 263: ok 22882 263: ok 22883 263: ok 22884 263: ok 22885 263: ok 22886 263: ok 22887 263: ok 22888 263: ok 22889 263: ok 22890 263: ok 22891 263: ok 22892 263: ok 22893 263: ok 22894 263: ok 22895 263: ok 22896 263: ok 22897 263: ok 22898 263: ok 22899 263: ok 22900 263: ok 22901 263: ok 22902 263: ok 22903 263: ok 22904 263: ok 22905 263: ok 22906 263: ok 22907 263: ok 22908 263: ok 22909 263: ok 22910 263: ok 22911 263: ok 22912 263: ok 22913 263: ok 22914 263: ok 22915 263: ok 22916 263: ok 22917 263: ok 22918 263: ok 22919 263: ok 22920 263: ok 22921 263: ok 22922 263: ok 22923 263: ok 22924 263: ok 22925 263: ok 22926 263: ok 22927 263: ok 22928 263: ok 22929 263: ok 22930 263: ok 22931 263: ok 22932 263: ok 22933 263: ok 22934 263: ok 22935 263: ok 22936 263: ok 22937 263: ok 22938 263: ok 22939 263: ok 22940 263: ok 22941 263: ok 22942 263: ok 22943 263: ok 22944 263: ok 22945 263: ok 22946 263: ok 22947 263: ok 22948 263: ok 22949 263: ok 22950 263: ok 22951 263: ok 22952 263: ok 22953 263: ok 22954 263: ok 22955 263: ok 22956 263: ok 22957 263: ok 22958 263: ok 22959 263: ok 22960 263: ok 22961 263: ok 22962 263: ok 22963 263: ok 22964 263: ok 22965 263: ok 22966 263: ok 22967 263: ok 22968 263: ok 22969 263: ok 22970 263: ok 22971 263: ok 22972 263: ok 22973 263: ok 22974 263: ok 22975 263: ok 22976 263: ok 22977 263: ok 22978 263: ok 22979 263: ok 22980 263: ok 22981 263: ok 22982 263: ok 22983 263: ok 22984 263: ok 22985 263: ok 22986 263: ok 22987 263: ok 22988 263: ok 22989 263: ok 22990 263: ok 22991 263: ok 22992 263: ok 22993 263: ok 22994 263: ok 22995 263: ok 22996 263: ok 22997 263: ok 22998 263: ok 22999 263: ok 23000 263: ok 23001 263: ok 23002 263: ok 23003 263: ok 23004 263: ok 23005 263: ok 23006 263: ok 23007 263: ok 23008 263: ok 23009 263: ok 23010 263: ok 23011 263: ok 23012 263: ok 23013 263: ok 23014 263: ok 23015 263: ok 23016 263: ok 23017 263: ok 23018 263: ok 23019 263: ok 23020 263: ok 23021 263: ok 23022 263: ok 23023 263: ok 23024 263: ok 23025 263: ok 23026 263: ok 23027 263: ok 23028 263: ok 23029 263: ok 23030 263: ok 23031 263: ok 23032 263: ok 23033 263: ok 23034 263: ok 23035 263: ok 23036 263: ok 23037 263: ok 23038 263: ok 23039 263: ok 23040 263: ok 23041 263: ok 23042 263: ok 23043 263: ok 23044 263: ok 23045 263: ok 23046 263: ok 23047 263: ok 23048 263: ok 23049 263: ok 23050 263: ok 23051 263: ok 23052 263: ok 23053 263: ok 23054 263: ok 23055 263: ok 23056 263: ok 23057 263: ok 23058 263: ok 23059 263: ok 23060 263: ok 23061 263: ok 23062 263: ok 23063 263: ok 23064 263: ok 23065 263: ok 23066 263: ok 23067 263: ok 23068 263: ok 23069 263: ok 23070 263: ok 23071 263: ok 23072 263: ok 23073 263: ok 23074 263: ok 23075 263: ok 23076 263: ok 23077 263: ok 23078 263: ok 23079 263: ok 23080 263: ok 23081 263: ok 23082 263: ok 23083 263: ok 23084 263: ok 23085 263: ok 23086 263: ok 23087 263: ok 23088 263: ok 23089 263: ok 23090 263: ok 23091 263: ok 23092 263: ok 23093 263: ok 23094 263: ok 23095 263: ok 23096 263: ok 23097 263: ok 23098 263: ok 23099 263: ok 23100 263: ok 23101 263: ok 23102 263: ok 23103 263: ok 23104 263: ok 23105 263: ok 23106 263: ok 23107 263: ok 23108 263: ok 23109 263: ok 23110 263: ok 23111 263: ok 23112 263: ok 23113 263: ok 23114 263: ok 23115 263: ok 23116 263: ok 23117 263: ok 23118 263: ok 23119 263: ok 23120 263: ok 23121 263: ok 23122 263: ok 23123 263: ok 23124 263: ok 23125 263: ok 23126 263: ok 23127 263: ok 23128 263: ok 23129 263: ok 23130 263: ok 23131 263: ok 23132 263: ok 23133 263: ok 23134 263: ok 23135 263: ok 23136 263: ok 23137 263: ok 23138 263: ok 23139 263: ok 23140 263: ok 23141 263: ok 23142 263: ok 23143 263: ok 23144 263: ok 23145 263: ok 23146 263: ok 23147 263: ok 23148 263: ok 23149 263: ok 23150 263: ok 23151 263: ok 23152 263: ok 23153 263: ok 23154 263: ok 23155 263: ok 23156 263: ok 23157 263: ok 23158 263: ok 23159 263: ok 23160 263: ok 23161 263: ok 23162 263: ok 23163 263: ok 23164 263: ok 23165 263: ok 23166 263: ok 23167 263: ok 23168 263: ok 23169 263: ok 23170 263: ok 23171 263: ok 23172 263: ok 23173 263: ok 23174 263: ok 23175 263: ok 23176 263: ok 23177 263: ok 23178 263: ok 23179 263: ok 23180 263: ok 23181 263: ok 23182 263: ok 23183 263: ok 23184 263: ok 23185 263: ok 23186 263: ok 23187 263: ok 23188 263: ok 23189 263: ok 23190 263: ok 23191 263: ok 23192 263: ok 23193 263: ok 23194 263: ok 23195 263: ok 23196 263: ok 23197 263: ok 23198 263: ok 23199 263: ok 23200 263: ok 23201 263: ok 23202 263: ok 23203 263: ok 23204 263: ok 23205 263: ok 23206 263: ok 23207 263: ok 23208 263: ok 23209 263: ok 23210 263: ok 23211 263: ok 23212 263: ok 23213 263: ok 23214 263: ok 23215 263: ok 23216 263: ok 23217 263: ok 23218 263: ok 23219 263: ok 23220 263: ok 23221 263: ok 23222 263: ok 23223 263: ok 23224 263: ok 23225 263: ok 23226 263: ok 23227 263: ok 23228 263: ok 23229 263: ok 23230 263: ok 23231 263: ok 23232 263: ok 23233 263: ok 23234 263: ok 23235 263: ok 23236 263: ok 23237 263: ok 23238 263: ok 23239 263: ok 23240 263: ok 23241 263: ok 23242 263: ok 23243 263: ok 23244 263: ok 23245 263: ok 23246 263: ok 23247 263: ok 23248 263: ok 23249 263: ok 23250 263: ok 23251 263: ok 23252 263: ok 23253 263: ok 23254 263: ok 23255 263: ok 23256 263: ok 23257 263: ok 23258 263: ok 23259 263: ok 23260 263: ok 23261 263: ok 23262 263: ok 23263 263: ok 23264 263: ok 23265 263: ok 23266 263: ok 23267 263: ok 23268 263: ok 23269 263: ok 23270 263: ok 23271 263: ok 23272 263: ok 23273 263: ok 23274 263: ok 23275 263: ok 23276 263: ok 23277 263: ok 23278 263: ok 23279 263: ok 23280 263: ok 23281 263: ok 23282 263: ok 23283 263: ok 23284 263: ok 23285 263: ok 23286 263: ok 23287 263: ok 23288 263: ok 23289 263: ok 23290 263: ok 23291 263: ok 23292 263: ok 23293 263: ok 23294 263: ok 23295 263: ok 23296 263: ok 23297 263: ok 23298 263: ok 23299 263: ok 23300 263: ok 23301 263: ok 23302 263: ok 23303 263: ok 23304 263: ok 23305 263: ok 23306 263: ok 23307 263: ok 23308 263: ok 23309 263: ok 23310 263: ok 23311 263: ok 23312 263: ok 23313 263: ok 23314 263: ok 23315 263: ok 23316 263: ok 23317 263: ok 23318 263: ok 23319 263: ok 23320 263: ok 23321 263: ok 23322 263: ok 23323 263: ok 23324 263: ok 23325 263: ok 23326 263: ok 23327 263: ok 23328 263: ok 23329 263: ok 23330 263: ok 23331 263: ok 23332 263: ok 23333 263: ok 23334 263: ok 23335 263: ok 23336 263: ok 23337 263: ok 23338 263: ok 23339 263: ok 23340 263: ok 23341 263: ok 23342 263: ok 23343 263: ok 23344 263: ok 23345 263: ok 23346 263: ok 23347 263: ok 23348 263: ok 23349 263: ok 23350 263: ok 23351 263: ok 23352 263: ok 23353 263: ok 23354 263: ok 23355 263: ok 23356 263: ok 23357 263: ok 23358 263: ok 23359 263: ok 23360 263: ok 23361 263: ok 23362 263: ok 23363 263: ok 23364 263: ok 23365 263: ok 23366 263: ok 23367 263: ok 23368 263: ok 23369 263: ok 23370 263: ok 23371 263: ok 23372 263: ok 23373 263: ok 23374 263: ok 23375 263: ok 23376 263: ok 23377 263: ok 23378 263: ok 23379 263: ok 23380 263: ok 23381 263: ok 23382 263: ok 23383 263: ok 23384 263: ok 23385 263: ok 23386 263: ok 23387 263: ok 23388 263: ok 23389 263: ok 23390 263: ok 23391 263: ok 23392 263: ok 23393 263: ok 23394 263: ok 23395 263: ok 23396 263: ok 23397 263: ok 23398 263: ok 23399 263: ok 23400 263: ok 23401 263: ok 23402 263: ok 23403 263: ok 23404 263: ok 23405 263: ok 23406 263: ok 23407 263: ok 23408 263: ok 23409 263: ok 23410 263: ok 23411 263: ok 23412 263: ok 23413 263: ok 23414 263: ok 23415 263: ok 23416 263: ok 23417 263: ok 23418 263: ok 23419 263: ok 23420 263: ok 23421 263: ok 23422 263: ok 23423 263: ok 23424 263: ok 23425 263: ok 23426 263: ok 23427 263: ok 23428 263: ok 23429 263: ok 23430 263: ok 23431 263: ok 23432 263: ok 23433 263: ok 23434 263: ok 23435 263: ok 23436 263: ok 23437 263: ok 23438 263: ok 23439 263: ok 23440 263: ok 23441 263: ok 23442 263: ok 23443 263: ok 23444 263: ok 23445 263: ok 23446 263: ok 23447 263: ok 23448 263: ok 23449 263: ok 23450 263: ok 23451 263: ok 23452 263: ok 23453 263: ok 23454 263: ok 23455 263: ok 23456 263: ok 23457 263: ok 23458 263: ok 23459 263: ok 23460 263: ok 23461 263: ok 23462 263: ok 23463 263: ok 23464 263: ok 23465 263: ok 23466 263: ok 23467 263: ok 23468 263: ok 23469 263: ok 23470 263: ok 23471 263: ok 23472 263: ok 23473 263: ok 23474 263: ok 23475 263: ok 23476 263: ok 23477 263: ok 23478 263: ok 23479 263: ok 23480 263: ok 23481 263: ok 23482 263: ok 23483 263: ok 23484 263: ok 23485 263: ok 23486 263: ok 23487 263: ok 23488 263: ok 23489 263: ok 23490 263: ok 23491 263: ok 23492 263: ok 23493 263: ok 23494 263: ok 23495 263: ok 23496 263: ok 23497 263: ok 23498 263: ok 23499 263: ok 23500 263: ok 23501 263: ok 23502 263: ok 23503 263: ok 23504 263: ok 23505 263: ok 23506 263: ok 23507 263: ok 23508 263: ok 23509 263: ok 23510 263: ok 23511 263: ok 23512 263: ok 23513 263: ok 23514 263: ok 23515 263: ok 23516 263: ok 23517 263: ok 23518 263: ok 23519 263: ok 23520 263: ok 23521 263: ok 23522 263: ok 23523 263: ok 23524 263: ok 23525 263: ok 23526 263: ok 23527 263: ok 23528 263: ok 23529 263: ok 23530 263: ok 23531 263: ok 23532 263: ok 23533 263: ok 23534 263: ok 23535 263: ok 23536 263: ok 23537 263: ok 23538 263: ok 23539 263: ok 23540 263: ok 23541 263: ok 23542 263: ok 23543 263: ok 23544 263: ok 23545 263: ok 23546 263: ok 23547 263: ok 23548 263: ok 23549 263: ok 23550 263: ok 23551 263: ok 23552 263: ok 23553 263: ok 23554 263: ok 23555 263: ok 23556 263: ok 23557 263: ok 23558 263: ok 23559 263: ok 23560 263: ok 23561 263: ok 23562 263: ok 23563 263: ok 23564 263: ok 23565 263: ok 23566 263: ok 23567 263: ok 23568 263: ok 23569 263: ok 23570 263: ok 23571 263: ok 23572 263: ok 23573 263: ok 23574 263: ok 23575 263: ok 23576 263: ok 23577 263: ok 23578 263: ok 23579 263: ok 23580 263: ok 23581 263: ok 23582 263: ok 23583 263: ok 23584 263: ok 23585 263: ok 23586 263: ok 23587 263: ok 23588 263: ok 23589 263: ok 23590 263: ok 23591 263: ok 23592 263: ok 23593 263: ok 23594 263: ok 23595 263: ok 23596 263: ok 23597 263: ok 23598 263: ok 23599 263: ok 23600 263: ok 23601 263: ok 23602 263: ok 23603 263: ok 23604 263: ok 23605 263: ok 23606 263: ok 23607 263: ok 23608 263: ok 23609 263: ok 23610 263: ok 23611 263: ok 23612 263: ok 23613 263: ok 23614 263: ok 23615 263: ok 23616 263: ok 23617 263: ok 23618 263: ok 23619 263: ok 23620 263: ok 23621 263: ok 23622 263: ok 23623 263: ok 23624 263: ok 23625 263: ok 23626 263: ok 23627 263: ok 23628 263: ok 23629 263: ok 23630 263: ok 23631 263: ok 23632 263: ok 23633 263: ok 23634 263: ok 23635 263: ok 23636 263: ok 23637 263: ok 23638 263: ok 23639 263: ok 23640 263: ok 23641 263: ok 23642 263: ok 23643 263: ok 23644 263: ok 23645 263: ok 23646 263: ok 23647 263: ok 23648 263: ok 23649 263: ok 23650 263: ok 23651 263: ok 23652 263: ok 23653 263: ok 23654 263: ok 23655 263: ok 23656 263: ok 23657 263: ok 23658 263: ok 23659 263: ok 23660 263: ok 23661 263: ok 23662 263: ok 23663 263: ok 23664 263: ok 23665 263: ok 23666 263: ok 23667 263: ok 23668 263: ok 23669 263: ok 23670 263: ok 23671 263: ok 23672 263: ok 23673 263: ok 23674 263: ok 23675 263: ok 23676 263: ok 23677 263: ok 23678 263: ok 23679 263: ok 23680 263: ok 23681 263: ok 23682 263: ok 23683 263: ok 23684 263: ok 23685 263: ok 23686 263: ok 23687 263: ok 23688 263: ok 23689 263: ok 23690 263: ok 23691 263: ok 23692 263: ok 23693 263: ok 23694 263: ok 23695 263: ok 23696 263: ok 23697 263: ok 23698 263: ok 23699 263: ok 23700 263: ok 23701 263: ok 23702 263: ok 23703 263: ok 23704 263: ok 23705 263: ok 23706 263: ok 23707 263: ok 23708 263: ok 23709 263: ok 23710 263: ok 23711 263: ok 23712 263: ok 23713 263: ok 23714 263: ok 23715 263: ok 23716 263: ok 23717 263: ok 23718 263: ok 23719 263: ok 23720 263: ok 23721 263: ok 23722 263: ok 23723 263: ok 23724 263: ok 23725 263: ok 23726 263: ok 23727 263: ok 23728 263: ok 23729 263: ok 23730 263: ok 23731 263: ok 23732 263: ok 23733 263: ok 23734 263: ok 23735 263: ok 23736 263: ok 23737 263: ok 23738 263: ok 23739 263: ok 23740 263: ok 23741 263: ok 23742 263: ok 23743 263: ok 23744 263: ok 23745 263: ok 23746 263: ok 23747 263: ok 23748 263: ok 23749 263: ok 23750 263: ok 23751 263: ok 23752 263: ok 23753 263: ok 23754 263: ok 23755 263: ok 23756 263: ok 23757 263: ok 23758 263: ok 23759 263: ok 23760 263: ok 23761 263: ok 23762 263: ok 23763 263: ok 23764 263: ok 23765 263: ok 23766 263: ok 23767 263: ok 23768 263: ok 23769 263: ok 23770 263: ok 23771 263: ok 23772 263: ok 23773 263: ok 23774 263: ok 23775 263: ok 23776 263: ok 23777 263: ok 23778 263: ok 23779 263: ok 23780 263: ok 23781 263: ok 23782 263: ok 23783 263: ok 23784 263: ok 23785 263: ok 23786 263: ok 23787 263: ok 23788 263: ok 23789 263: ok 23790 263: ok 23791 263: ok 23792 263: ok 23793 263: ok 23794 263: ok 23795 263: ok 23796 263: ok 23797 263: ok 23798 263: ok 23799 263: ok 23800 263: ok 23801 263: ok 23802 263: ok 23803 263: ok 23804 263: ok 23805 263: ok 23806 263: ok 23807 263: ok 23808 263: ok 23809 263: ok 23810 263: ok 23811 263: ok 23812 263: ok 23813 263: ok 23814 263: ok 23815 263: ok 23816 263: ok 23817 263: ok 23818 263: ok 23819 263: ok 23820 263: ok 23821 263: ok 23822 263: ok 23823 263: ok 23824 263: ok 23825 263: ok 23826 263: ok 23827 263: ok 23828 263: ok 23829 263: ok 23830 263: ok 23831 263: ok 23832 263: ok 23833 263: ok 23834 263: ok 23835 263: ok 23836 263: ok 23837 263: ok 23838 263: ok 23839 263: ok 23840 263: ok 23841 263: ok 23842 263: ok 23843 263: ok 23844 263: ok 23845 263: ok 23846 263: ok 23847 263: ok 23848 263: ok 23849 263: ok 23850 263: ok 23851 263: ok 23852 263: ok 23853 263: ok 23854 263: ok 23855 263: ok 23856 263: ok 23857 263: ok 23858 263: ok 23859 263: ok 23860 263: ok 23861 263: ok 23862 263: ok 23863 263: ok 23864 263: ok 23865 263: ok 23866 263: ok 23867 263: ok 23868 263: ok 23869 263: ok 23870 263: ok 23871 263: ok 23872 263: ok 23873 263: ok 23874 263: ok 23875 263: ok 23876 263: ok 23877 263: ok 23878 263: ok 23879 263: ok 23880 263: ok 23881 263: ok 23882 263: ok 23883 263: ok 23884 263: ok 23885 263: ok 23886 263: ok 23887 263: ok 23888 263: ok 23889 263: ok 23890 263: ok 23891 263: ok 23892 263: ok 23893 263: ok 23894 263: ok 23895 263: ok 23896 263: ok 23897 263: ok 23898 263: ok 23899 263: ok 23900 263: ok 23901 263: ok 23902 263: ok 23903 263: ok 23904 263: ok 23905 263: ok 23906 263: ok 23907 263: ok 23908 263: ok 23909 263: ok 23910 263: ok 23911 263: ok 23912 263: ok 23913 263: ok 23914 263: ok 23915 263: ok 23916 263: ok 23917 263: ok 23918 263: ok 23919 263: ok 23920 263: ok 23921 263: ok 23922 263: ok 23923 263: ok 23924 263: ok 23925 263: ok 23926 263: ok 23927 263: ok 23928 263: ok 23929 263: ok 23930 263: ok 23931 263: ok 23932 263: ok 23933 263: ok 23934 263: ok 23935 263: ok 23936 263: ok 23937 263: ok 23938 263: ok 23939 263: ok 23940 263: ok 23941 263: ok 23942 263: ok 23943 263: ok 23944 263: ok 23945 263: ok 23946 263: ok 23947 263: ok 23948 263: ok 23949 263: ok 23950 263: ok 23951 263: ok 23952 263: ok 23953 263: ok 23954 263: ok 23955 263: ok 23956 263: ok 23957 263: ok 23958 263: ok 23959 263: ok 23960 263: ok 23961 263: ok 23962 263: ok 23963 263: ok 23964 263: ok 23965 263: ok 23966 263: ok 23967 263: ok 23968 263: ok 23969 263: ok 23970 263: ok 23971 263: ok 23972 263: ok 23973 263: ok 23974 263: ok 23975 263: ok 23976 263: ok 23977 263: ok 23978 263: ok 23979 263: ok 23980 263: ok 23981 263: ok 23982 263: ok 23983 263: ok 23984 263: ok 23985 263: ok 23986 263: ok 23987 263: ok 23988 263: ok 23989 263: ok 23990 263: ok 23991 263: ok 23992 263: ok 23993 263: ok 23994 263: ok 23995 263: ok 23996 263: ok 23997 263: ok 23998 263: ok 23999 263: ok 24000 263: ok 24001 263: ok 24002 263: ok 24003 263: ok 24004 263: ok 24005 263: ok 24006 263: ok 24007 263: ok 24008 263: ok 24009 263: ok 24010 263: ok 24011 263: ok 24012 263: ok 24013 263: ok 24014 263: ok 24015 263: ok 24016 263: ok 24017 263: ok 24018 263: ok 24019 263: ok 24020 263: ok 24021 263: ok 24022 263: ok 24023 263: ok 24024 263: ok 24025 263: ok 24026 263: ok 24027 263: ok 24028 263: ok 24029 263: ok 24030 263: ok 24031 263: ok 24032 263: ok 24033 263: ok 24034 263: ok 24035 263: ok 24036 263: ok 24037 263: ok 24038 263: ok 24039 263: ok 24040 263: ok 24041 263: ok 24042 263: ok 24043 263: ok 24044 263: ok 24045 263: ok 24046 263: ok 24047 263: ok 24048 263: ok 24049 263: ok 24050 263: ok 24051 263: ok 24052 263: ok 24053 263: ok 24054 263: ok 24055 263: ok 24056 263: ok 24057 263: ok 24058 263: ok 24059 263: ok 24060 263: ok 24061 263: ok 24062 263: ok 24063 263: ok 24064 263: ok 24065 263: ok 24066 263: ok 24067 263: ok 24068 263: ok 24069 263: ok 24070 263: ok 24071 263: ok 24072 263: ok 24073 263: ok 24074 263: ok 24075 263: ok 24076 263: ok 24077 263: ok 24078 263: ok 24079 263: ok 24080 263: ok 24081 263: ok 24082 263: ok 24083 263: ok 24084 263: ok 24085 263: ok 24086 263: ok 24087 263: ok 24088 263: ok 24089 263: ok 24090 263: ok 24091 263: ok 24092 263: ok 24093 263: ok 24094 263: ok 24095 263: ok 24096 263: ok 24097 263: ok 24098 263: ok 24099 263: ok 24100 263: ok 24101 263: ok 24102 263: ok 24103 263: ok 24104 263: ok 24105 263: ok 24106 263: ok 24107 263: ok 24108 263: ok 24109 263: ok 24110 263: ok 24111 263: ok 24112 263: ok 24113 263: ok 24114 263: ok 24115 263: ok 24116 263: ok 24117 263: ok 24118 263: ok 24119 263: ok 24120 263: ok 24121 263: ok 24122 263: ok 24123 263: ok 24124 263: ok 24125 263: ok 24126 263: ok 24127 263: ok 24128 263: ok 24129 263: ok 24130 263: ok 24131 263: ok 24132 263: ok 24133 263: ok 24134 263: ok 24135 263: ok 24136 263: ok 24137 263: ok 24138 263: ok 24139 263: ok 24140 263: ok 24141 263: ok 24142 263: ok 24143 263: ok 24144 263: ok 24145 263: ok 24146 263: ok 24147 263: ok 24148 263: ok 24149 263: ok 24150 263: ok 24151 263: ok 24152 263: ok 24153 263: ok 24154 263: ok 24155 263: ok 24156 263: ok 24157 263: ok 24158 263: ok 24159 263: ok 24160 263: ok 24161 263: ok 24162 263: ok 24163 263: ok 24164 263: ok 24165 263: ok 24166 263: ok 24167 263: ok 24168 263: ok 24169 263: ok 24170 263: ok 24171 263: ok 24172 263: ok 24173 263: ok 24174 263: ok 24175 263: ok 24176 263: ok 24177 263: ok 24178 263: ok 24179 263: ok 24180 263: ok 24181 263: ok 24182 263: ok 24183 263: ok 24184 263: ok 24185 263: ok 24186 263: ok 24187 263: ok 24188 263: ok 24189 263: ok 24190 263: ok 24191 263: ok 24192 263: ok 24193 263: ok 24194 263: ok 24195 263: ok 24196 263: ok 24197 263: ok 24198 263: ok 24199 263: ok 24200 263: ok 24201 263: ok 24202 263: ok 24203 263: ok 24204 263: ok 24205 263: ok 24206 263: ok 24207 263: ok 24208 263: ok 24209 263: ok 24210 263: ok 24211 263: ok 24212 263: ok 24213 263: ok 24214 263: ok 24215 263: ok 24216 263: ok 24217 263: ok 24218 263: ok 24219 263: ok 24220 263: ok 24221 263: ok 24222 263: ok 24223 263: ok 24224 263: ok 24225 263: ok 24226 263: ok 24227 263: ok 24228 263: ok 24229 263: ok 24230 263: ok 24231 263: ok 24232 263: ok 24233 263: ok 24234 263: ok 24235 263: ok 24236 263: ok 24237 263: ok 24238 263: ok 24239 263: ok 24240 263: ok 24241 263: ok 24242 263: ok 24243 263: ok 24244 263: ok 24245 263: ok 24246 263: ok 24247 263: ok 24248 263: ok 24249 263: ok 24250 263: ok 24251 263: ok 24252 263: ok 24253 263: ok 24254 263: ok 24255 263: ok 24256 263: ok 24257 263: ok 24258 263: ok 24259 263: ok 24260 263: ok 24261 263: ok 24262 263: ok 24263 263: ok 24264 263: ok 24265 263: ok 24266 263: ok 24267 263: ok 24268 263: ok 24269 263: ok 24270 263: ok 24271 263: ok 24272 263: ok 24273 263: ok 24274 263: ok 24275 263: ok 24276 263: ok 24277 263: ok 24278 263: ok 24279 263: ok 24280 263: ok 24281 263: ok 24282 263: ok 24283 263: ok 24284 263: ok 24285 263: ok 24286 263: ok 24287 263: ok 24288 263: ok 24289 263: ok 24290 263: ok 24291 263: ok 24292 263: ok 24293 263: ok 24294 263: ok 24295 263: ok 24296 263: ok 24297 263: ok 24298 263: ok 24299 263: ok 24300 263: ok 24301 263: ok 24302 263: ok 24303 263: ok 24304 263: ok 24305 263: ok 24306 263: ok 24307 263: ok 24308 263: ok 24309 263: ok 24310 263: ok 24311 263: ok 24312 263: ok 24313 263: ok 24314 263: ok 24315 263: ok 24316 263: ok 24317 263: ok 24318 263: ok 24319 263: ok 24320 263: ok 24321 263: ok 24322 263: ok 24323 263: ok 24324 263: ok 24325 263: ok 24326 263: ok 24327 263: ok 24328 263: ok 24329 263: ok 24330 263: ok 24331 263: ok 24332 263: ok 24333 263: ok 24334 263: ok 24335 263: ok 24336 263: ok 24337 263: ok 24338 263: ok 24339 263: ok 24340 263: ok 24341 263: ok 24342 263: ok 24343 263: ok 24344 263: ok 24345 263: ok 24346 263: ok 24347 263: ok 24348 263: ok 24349 263: ok 24350 263: ok 24351 263: ok 24352 263: ok 24353 263: ok 24354 263: ok 24355 263: ok 24356 263: ok 24357 263: ok 24358 263: ok 24359 263: ok 24360 263: ok 24361 263: ok 24362 263: ok 24363 263: ok 24364 263: ok 24365 263: ok 24366 263: ok 24367 263: ok 24368 263: ok 24369 263: ok 24370 263: ok 24371 263: ok 24372 263: ok 24373 263: ok 24374 263: ok 24375 263: ok 24376 263: ok 24377 263: ok 24378 263: ok 24379 263: ok 24380 263: ok 24381 263: ok 24382 263: ok 24383 263: ok 24384 263: ok 24385 263: ok 24386 263: ok 24387 263: ok 24388 263: ok 24389 263: ok 24390 263: ok 24391 263: ok 24392 263: ok 24393 263: ok 24394 263: ok 24395 263: ok 24396 263: ok 24397 263: ok 24398 263: ok 24399 263: ok 24400 263: ok 24401 263: ok 24402 263: ok 24403 263: ok 24404 263: ok 24405 263: ok 24406 263: ok 24407 263: ok 24408 263: ok 24409 263: ok 24410 263: ok 24411 263: ok 24412 263: ok 24413 263: ok 24414 263: ok 24415 263: ok 24416 263: ok 24417 263: ok 24418 263: ok 24419 263: ok 24420 263: ok 24421 263: ok 24422 263: ok 24423 263: ok 24424 263: ok 24425 263: ok 24426 263: ok 24427 263: ok 24428 263: ok 24429 263: ok 24430 263: ok 24431 263: ok 24432 263: ok 24433 263: ok 24434 263: ok 24435 263: ok 24436 263: ok 24437 263: ok 24438 263: ok 24439 263: ok 24440 263: ok 24441 263: ok 24442 263: ok 24443 263: ok 24444 263: ok 24445 263: ok 24446 263: ok 24447 263: ok 24448 263: ok 24449 263: ok 24450 263: ok 24451 263: ok 24452 263: ok 24453 263: ok 24454 263: ok 24455 263: ok 24456 263: ok 24457 263: ok 24458 263: ok 24459 263: ok 24460 263: ok 24461 263: ok 24462 263: ok 24463 263: ok 24464 263: ok 24465 263: ok 24466 263: ok 24467 263: ok 24468 263: ok 24469 263: ok 24470 263: ok 24471 263: ok 24472 263: ok 24473 263: ok 24474 263: ok 24475 263: ok 24476 263: ok 24477 263: ok 24478 263: ok 24479 263: ok 24480 263: ok 24481 263: ok 24482 263: ok 24483 263: ok 24484 263: ok 24485 263: ok 24486 263: ok 24487 263: ok 24488 263: ok 24489 263: ok 24490 263: ok 24491 263: ok 24492 263: ok 24493 263: ok 24494 263: ok 24495 263: ok 24496 263: ok 24497 263: ok 24498 263: ok 24499 263: ok 24500 263: ok 24501 263: ok 24502 263: ok 24503 263: ok 24504 263: ok 24505 263: ok 24506 263: ok 24507 263: ok 24508 263: ok 24509 263: ok 24510 263: ok 24511 263: ok 24512 263: ok 24513 263: ok 24514 263: ok 24515 263: ok 24516 263: ok 24517 263: ok 24518 263: ok 24519 263: ok 24520 263: ok 24521 263: ok 24522 263: ok 24523 263: ok 24524 263: ok 24525 263: ok 24526 263: ok 24527 263: ok 24528 263: ok 24529 263: ok 24530 263: ok 24531 263: ok 24532 263: ok 24533 263: ok 24534 263: ok 24535 263: ok 24536 263: ok 24537 263: ok 24538 263: ok 24539 263: ok 24540 263: ok 24541 263: ok 24542 263: ok 24543 263: ok 24544 263: ok 24545 263: ok 24546 263: ok 24547 263: ok 24548 263: ok 24549 263: ok 24550 263: ok 24551 263: ok 24552 263: ok 24553 263: ok 24554 263: ok 24555 263: ok 24556 263: ok 24557 263: ok 24558 263: ok 24559 263: ok 24560 263: ok 24561 263: ok 24562 263: ok 24563 263: ok 24564 263: ok 24565 263: ok 24566 263: ok 24567 263: ok 24568 263: ok 24569 263: ok 24570 263: ok 24571 263: ok 24572 263: ok 24573 263: ok 24574 263: ok 24575 263: ok 24576 263: ok 24577 263: ok 24578 263: ok 24579 263: ok 24580 263: ok 24581 263: ok 24582 263: ok 24583 263: ok 24584 263: ok 24585 263: ok 24586 263: ok 24587 263: ok 24588 263: ok 24589 263: ok 24590 263: ok 24591 263: ok 24592 263: ok 24593 263: ok 24594 263: ok 24595 263: ok 24596 263: ok 24597 263: ok 24598 263: ok 24599 263: ok 24600 263: ok 24601 263: ok 24602 263: ok 24603 263: ok 24604 263: ok 24605 263: ok 24606 263: ok 24607 263: ok 24608 263: ok 24609 263: ok 24610 263: ok 24611 263: ok 24612 263: ok 24613 263: ok 24614 263: ok 24615 263: ok 24616 263: ok 24617 263: ok 24618 263: ok 24619 263: ok 24620 263: ok 24621 263: ok 24622 263: ok 24623 263: ok 24624 263: ok 24625 263: ok 24626 263: ok 24627 263: ok 24628 263: ok 24629 263: ok 24630 263: ok 24631 263: ok 24632 263: ok 24633 263: ok 24634 263: ok 24635 263: ok 24636 263: ok 24637 263: ok 24638 263: ok 24639 263: ok 24640 263: ok 24641 263: ok 24642 263: ok 24643 263: ok 24644 263: ok 24645 263: ok 24646 263: ok 24647 263: ok 24648 263: ok 24649 263: ok 24650 263: ok 24651 263: ok 24652 263: ok 24653 263: ok 24654 263: ok 24655 263: ok 24656 263: ok 24657 263: ok 24658 263: ok 24659 263: ok 24660 263: ok 24661 263: ok 24662 263: ok 24663 263: ok 24664 263: ok 24665 263: ok 24666 263: ok 24667 263: ok 24668 263: ok 24669 263: ok 24670 263: ok 24671 263: ok 24672 263: ok 24673 263: ok 24674 263: ok 24675 263: ok 24676 263: ok 24677 263: ok 24678 263: ok 24679 263: ok 24680 263: ok 24681 263: ok 24682 263: ok 24683 263: ok 24684 263: ok 24685 263: ok 24686 263: ok 24687 263: ok 24688 263: ok 24689 263: ok 24690 263: ok 24691 263: ok 24692 263: ok 24693 263: ok 24694 263: ok 24695 263: ok 24696 263: ok 24697 263: ok 24698 263: ok 24699 263: ok 24700 263: ok 24701 263: ok 24702 263: ok 24703 263: ok 24704 263: ok 24705 263: ok 24706 263: ok 24707 263: ok 24708 263: ok 24709 263: ok 24710 263: ok 24711 263: ok 24712 263: ok 24713 263: ok 24714 263: ok 24715 263: ok 24716 263: ok 24717 263: ok 24718 263: ok 24719 263: ok 24720 263: ok 24721 263: ok 24722 263: ok 24723 263: ok 24724 263: ok 24725 263: ok 24726 263: ok 24727 263: ok 24728 263: ok 24729 263: ok 24730 263: ok 24731 263: ok 24732 263: ok 24733 263: ok 24734 263: ok 24735 263: ok 24736 263: ok 24737 263: ok 24738 263: ok 24739 263: ok 24740 263: ok 24741 263: ok 24742 263: ok 24743 263: ok 24744 263: ok 24745 263: ok 24746 263: ok 24747 263: ok 24748 263: ok 24749 263: ok 24750 263: ok 24751 263: ok 24752 263: ok 24753 263: ok 24754 263: ok 24755 263: ok 24756 263: ok 24757 263: ok 24758 263: ok 24759 263: ok 24760 263: ok 24761 263: ok 24762 263: ok 24763 263: ok 24764 263: ok 24765 263: ok 24766 263: ok 24767 263: ok 24768 263: ok 24769 263: ok 24770 263: ok 24771 263: ok 24772 263: ok 24773 263: ok 24774 263: ok 24775 263: ok 24776 263: ok 24777 263: ok 24778 263: ok 24779 263: ok 24780 263: ok 24781 263: ok 24782 263: ok 24783 263: ok 24784 263: ok 24785 263: ok 24786 263: ok 24787 263: ok 24788 263: ok 24789 263: ok 24790 263: ok 24791 263: ok 24792 263: ok 24793 263: ok 24794 263: ok 24795 263: ok 24796 263: ok 24797 263: ok 24798 263: ok 24799 263: ok 24800 263: ok 24801 263: ok 24802 263: ok 24803 263: ok 24804 263: ok 24805 263: ok 24806 263: ok 24807 263: ok 24808 263: ok 24809 263: ok 24810 263: ok 24811 263: ok 24812 263: ok 24813 263: ok 24814 263: ok 24815 263: ok 24816 263: ok 24817 263: ok 24818 263: ok 24819 263: ok 24820 263: ok 24821 263: ok 24822 263: ok 24823 263: ok 24824 263: ok 24825 263: ok 24826 263: ok 24827 263: ok 24828 263: ok 24829 263: ok 24830 263: ok 24831 263: ok 24832 263: ok 24833 263: ok 24834 263: ok 24835 263: ok 24836 263: ok 24837 263: ok 24838 263: ok 24839 263: ok 24840 263: ok 24841 263: ok 24842 263: ok 24843 263: ok 24844 263: ok 24845 263: ok 24846 263: ok 24847 263: ok 24848 263: ok 24849 263: ok 24850 263: ok 24851 263: ok 24852 263: ok 24853 263: ok 24854 263: ok 24855 263: ok 24856 263: ok 24857 263: ok 24858 263: ok 24859 263: ok 24860 263: ok 24861 263: ok 24862 263: ok 24863 263: ok 24864 263: ok 24865 263: ok 24866 263: ok 24867 263: ok 24868 263: ok 24869 263: ok 24870 263: ok 24871 263: ok 24872 263: ok 24873 263: ok 24874 263: ok 24875 263: ok 24876 263: ok 24877 263: ok 24878 263: ok 24879 263: ok 24880 263: ok 24881 263: ok 24882 263: ok 24883 263: ok 24884 263: ok 24885 263: ok 24886 263: ok 24887 263: ok 24888 263: ok 24889 263: ok 24890 263: ok 24891 263: ok 24892 263: ok 24893 263: ok 24894 263: ok 24895 263: ok 24896 263: ok 24897 263: ok 24898 263: ok 24899 263: ok 24900 263: ok 24901 263: ok 24902 263: ok 24903 263: ok 24904 263: ok 24905 263: ok 24906 263: ok 24907 263: ok 24908 263: ok 24909 263: ok 24910 263: ok 24911 263: ok 24912 263: ok 24913 263: ok 24914 263: ok 24915 263: ok 24916 263: ok 24917 263: ok 24918 263: ok 24919 263: ok 24920 263: ok 24921 263: ok 24922 263: ok 24923 263: ok 24924 263: ok 24925 263: ok 24926 263: ok 24927 263: ok 24928 263: ok 24929 263: ok 24930 263: ok 24931 263: ok 24932 263: ok 24933 263: ok 24934 263: ok 24935 263: ok 24936 263: ok 24937 263: ok 24938 263: ok 24939 263: ok 24940 263: ok 24941 263: ok 24942 263: ok 24943 263: ok 24944 263: ok 24945 263: ok 24946 263: ok 24947 263: ok 24948 263: ok 24949 263: ok 24950 263: ok 24951 263: ok 24952 263: ok 24953 263: ok 24954 263: ok 24955 263: ok 24956 263: ok 24957 263: ok 24958 263: ok 24959 263: ok 24960 263: ok 24961 263: ok 24962 263: ok 24963 263: ok 24964 263: ok 24965 263: ok 24966 263: ok 24967 263: ok 24968 263: ok 24969 263: ok 24970 263: ok 24971 263: ok 24972 263: ok 24973 263: ok 24974 263: ok 24975 263: ok 24976 263: ok 24977 263: ok 24978 263: ok 24979 263: ok 24980 263: ok 24981 263: ok 24982 263: ok 24983 263: ok 24984 263: ok 24985 263: ok 24986 263: ok 24987 263: ok 24988 263: ok 24989 263: ok 24990 263: ok 24991 263: ok 24992 263: ok 24993 263: ok 24994 263: ok 24995 263: ok 24996 263: ok 24997 263: ok 24998 263: ok 24999 263: ok 25000 263: ok 25001 263: ok 25002 263: ok 25003 263: ok 25004 263: ok 25005 263: ok 25006 263: ok 25007 263: ok 25008 263: ok 25009 263: ok 25010 263: ok 25011 263: ok 25012 263: ok 25013 263: ok 25014 263: ok 25015 263: ok 25016 263: ok 25017 263: ok 25018 263: ok 25019 263: ok 25020 263: ok 25021 263: ok 25022 263: ok 25023 263: ok 25024 263: ok 25025 263: ok 25026 263: ok 25027 263: ok 25028 263: ok 25029 263: ok 25030 263: ok 25031 263: ok 25032 263: ok 25033 263: ok 25034 263: ok 25035 263: ok 25036 263: ok 25037 263: ok 25038 263: ok 25039 263: ok 25040 263: ok 25041 263: ok 25042 263: ok 25043 263: ok 25044 263: ok 25045 263: ok 25046 263: ok 25047 263: ok 25048 263: ok 25049 263: ok 25050 263: ok 25051 263: ok 25052 263: ok 25053 263: ok 25054 263: ok 25055 263: ok 25056 263: ok 25057 263: ok 25058 263: ok 25059 263: ok 25060 263: ok 25061 263: ok 25062 263: ok 25063 263: ok 25064 263: ok 25065 263: ok 25066 263: ok 25067 263: ok 25068 263: ok 25069 263: ok 25070 263: ok 25071 263: ok 25072 263: ok 25073 263: ok 25074 263: ok 25075 263: ok 25076 263: ok 25077 263: ok 25078 263: ok 25079 263: ok 25080 263: ok 25081 263: ok 25082 263: ok 25083 263: ok 25084 263: ok 25085 263: ok 25086 263: ok 25087 263: ok 25088 263: ok 25089 263: ok 25090 263: ok 25091 263: ok 25092 263: ok 25093 263: ok 25094 263: ok 25095 263: ok 25096 263: ok 25097 263: ok 25098 263: ok 25099 263: ok 25100 263: ok 25101 263: ok 25102 263: ok 25103 263: ok 25104 263: ok 25105 263: ok 25106 263: ok 25107 263: ok 25108 263: ok 25109 263: ok 25110 263: ok 25111 263: ok 25112 263: ok 25113 263: ok 25114 263: ok 25115 263: ok 25116 263: ok 25117 263: ok 25118 263: ok 25119 263: ok 25120 263: ok 25121 263: ok 25122 263: ok 25123 263: ok 25124 263: ok 25125 263: ok 25126 263: ok 25127 263: ok 25128 263: ok 25129 263: ok 25130 263: ok 25131 263: ok 25132 263: ok 25133 263: ok 25134 263: ok 25135 263: ok 25136 263: ok 25137 263: ok 25138 263: ok 25139 263: ok 25140 263: ok 25141 263: ok 25142 263: ok 25143 263: ok 25144 263: ok 25145 263: ok 25146 263: ok 25147 263: ok 25148 263: ok 25149 263: ok 25150 263: ok 25151 263: ok 25152 263: ok 25153 263: ok 25154 263: ok 25155 263: ok 25156 263: ok 25157 263: ok 25158 263: ok 25159 263: ok 25160 263: ok 25161 263: ok 25162 263: ok 25163 263: ok 25164 263: ok 25165 263: ok 25166 263: ok 25167 263: ok 25168 263: ok 25169 263: ok 25170 263: ok 25171 263: ok 25172 263: ok 25173 263: ok 25174 263: ok 25175 263: ok 25176 263: ok 25177 263: ok 25178 263: ok 25179 263: ok 25180 263: ok 25181 263: ok 25182 263: ok 25183 263: ok 25184 263: ok 25185 263: ok 25186 263: ok 25187 263: ok 25188 263: ok 25189 263: ok 25190 263: ok 25191 263: ok 25192 263: ok 25193 263: ok 25194 263: ok 25195 263: ok 25196 263: ok 25197 263: ok 25198 263: ok 25199 263: ok 25200 263: ok 25201 263: ok 25202 263: ok 25203 263: ok 25204 263: ok 25205 263: ok 25206 263: ok 25207 263: ok 25208 263: ok 25209 263: ok 25210 263: ok 25211 263: ok 25212 263: ok 25213 263: ok 25214 263: ok 25215 263: ok 25216 263: ok 25217 263: ok 25218 263: ok 25219 263: ok 25220 263: ok 25221 263: ok 25222 263: ok 25223 263: ok 25224 263: ok 25225 263: ok 25226 263: ok 25227 263: ok 25228 263: ok 25229 263: ok 25230 263: ok 25231 263: ok 25232 263: ok 25233 263: ok 25234 263: ok 25235 263: ok 25236 263: ok 25237 263: ok 25238 263: ok 25239 263: ok 25240 263: ok 25241 263: ok 25242 263: ok 25243 263: ok 25244 263: ok 25245 263: ok 25246 263: ok 25247 263: ok 25248 263: ok 25249 263: ok 25250 263: ok 25251 263: ok 25252 263: ok 25253 263: ok 25254 263: ok 25255 263: ok 25256 263: ok 25257 263: ok 25258 263: ok 25259 263: ok 25260 263: ok 25261 263: ok 25262 263: ok 25263 263: ok 25264 263: ok 25265 263: ok 25266 263: ok 25267 263: ok 25268 263: ok 25269 263: ok 25270 263: ok 25271 263: ok 25272 263: ok 25273 263: ok 25274 263: ok 25275 263: ok 25276 263: ok 25277 263: ok 25278 263: ok 25279 263: ok 25280 263: ok 25281 263: ok 25282 263: ok 25283 263: ok 25284 263: ok 25285 263: ok 25286 263: ok 25287 263: ok 25288 263: ok 25289 263: ok 25290 263: ok 25291 263: ok 25292 263: ok 25293 263: ok 25294 263: ok 25295 263: ok 25296 263: ok 25297 263: ok 25298 263: ok 25299 263: ok 25300 263: ok 25301 263: ok 25302 263: ok 25303 263: ok 25304 263: ok 25305 263: ok 25306 263: ok 25307 263: ok 25308 263: ok 25309 263: ok 25310 263: ok 25311 263: ok 25312 263: ok 25313 263: ok 25314 263: ok 25315 263: ok 25316 263: ok 25317 263: ok 25318 263: ok 25319 263: ok 25320 263: ok 25321 263: ok 25322 263: ok 25323 263: ok 25324 263: ok 25325 263: ok 25326 263: ok 25327 263: ok 25328 263: ok 25329 263: ok 25330 263: ok 25331 263: ok 25332 263: ok 25333 263: ok 25334 263: ok 25335 263: ok 25336 263: ok 25337 263: ok 25338 263: ok 25339 263: ok 25340 263: ok 25341 263: ok 25342 263: ok 25343 263: ok 25344 263: ok 25345 263: ok 25346 263: ok 25347 263: ok 25348 263: ok 25349 263: ok 25350 263: ok 25351 263: ok 25352 263: ok 25353 263: ok 25354 263: ok 25355 263: ok 25356 263: ok 25357 263: ok 25358 263: ok 25359 263: ok 25360 263: ok 25361 263: ok 25362 263: ok 25363 263: ok 25364 263: ok 25365 263: ok 25366 263: ok 25367 263: ok 25368 263: ok 25369 263: ok 25370 263: ok 25371 263: ok 25372 263: ok 25373 263: ok 25374 263: ok 25375 263: ok 25376 263: ok 25377 263: ok 25378 263: ok 25379 263: ok 25380 263: ok 25381 263: ok 25382 263: ok 25383 263: ok 25384 263: ok 25385 263: ok 25386 263: ok 25387 263: ok 25388 263: ok 25389 263: ok 25390 263: ok 25391 263: ok 25392 263: ok 25393 263: ok 25394 263: ok 25395 263: ok 25396 263: ok 25397 263: ok 25398 263: ok 25399 263: ok 25400 263: ok 25401 263: ok 25402 263: ok 25403 263: ok 25404 263: ok 25405 263: ok 25406 263: ok 25407 263: ok 25408 263: ok 25409 263: ok 25410 263: ok 25411 263: ok 25412 263: ok 25413 263: ok 25414 263: ok 25415 263: ok 25416 263: ok 25417 263: ok 25418 263: ok 25419 263: ok 25420 263: ok 25421 263: ok 25422 263: ok 25423 263: ok 25424 263: ok 25425 263: ok 25426 263: ok 25427 263: ok 25428 263: ok 25429 263: ok 25430 263: ok 25431 263: ok 25432 263: ok 25433 263: ok 25434 263: ok 25435 263: ok 25436 263: ok 25437 263: ok 25438 263: ok 25439 263: ok 25440 263: ok 25441 263: ok 25442 263: ok 25443 263: ok 25444 263: ok 25445 263: ok 25446 263: ok 25447 263: ok 25448 263: ok 25449 263: ok 25450 263: ok 25451 263: ok 25452 263: ok 25453 263: ok 25454 263: ok 25455 263: ok 25456 263: ok 25457 263: ok 25458 263: ok 25459 263: ok 25460 263: ok 25461 263: ok 25462 263: ok 25463 263: ok 25464 263: ok 25465 263: ok 25466 263: ok 25467 263: ok 25468 263: ok 25469 263: ok 25470 263: ok 25471 263: ok 25472 263: ok 25473 263: ok 25474 263: ok 25475 263: ok 25476 263: ok 25477 263: ok 25478 263: ok 25479 263: ok 25480 263: ok 25481 263: ok 25482 263: ok 25483 263: ok 25484 263: ok 25485 263: ok 25486 263: ok 25487 263: ok 25488 263: ok 25489 263: ok 25490 263: ok 25491 263: ok 25492 263: ok 25493 263: ok 25494 263: ok 25495 263: ok 25496 263: ok 25497 263: ok 25498 263: ok 25499 263: ok 25500 263: ok 25501 263: ok 25502 263: ok 25503 263: ok 25504 263: ok 25505 263: ok 25506 263: ok 25507 263: ok 25508 263: ok 25509 263: ok 25510 263: ok 25511 263: ok 25512 263: ok 25513 263: ok 25514 263: ok 25515 263: ok 25516 263: ok 25517 263: ok 25518 263: ok 25519 263: ok 25520 263: ok 25521 263: ok 25522 263: ok 25523 263: ok 25524 263: ok 25525 263: ok 25526 263: ok 25527 263: ok 25528 263: ok 25529 263: ok 25530 263: ok 25531 263: ok 25532 263: ok 25533 263: ok 25534 263: ok 25535 263: ok 25536 263: ok 25537 263: ok 25538 263: ok 25539 263: ok 25540 263: ok 25541 263: ok 25542 263: ok 25543 263: ok 25544 263: ok 25545 263: ok 25546 263: ok 25547 263: ok 25548 263: ok 25549 263: ok 25550 263: ok 25551 263: ok 25552 263: ok 25553 263: ok 25554 263: ok 25555 263: ok 25556 263: ok 25557 263: ok 25558 263: ok 25559 263: ok 25560 263: ok 25561 263: ok 25562 263: ok 25563 263: ok 25564 263: ok 25565 263: ok 25566 263: ok 25567 263: ok 25568 263: ok 25569 263: ok 25570 263: ok 25571 263: ok 25572 263: ok 25573 263: ok 25574 263: ok 25575 263: ok 25576 263: ok 25577 263: ok 25578 263: ok 25579 263: ok 25580 263: ok 25581 263: ok 25582 263: ok 25583 263: ok 25584 263: ok 25585 263: ok 25586 263: ok 25587 263: ok 25588 263: ok 25589 263: ok 25590 263: ok 25591 263: ok 25592 263: ok 25593 263: ok 25594 263: ok 25595 263: ok 25596 263: ok 25597 263: ok 25598 263: ok 25599 263: ok 25600 263: ok 25601 263: ok 25602 263: ok 25603 263: ok 25604 263: ok 25605 263: ok 25606 263: ok 25607 263: ok 25608 263: ok 25609 263: ok 25610 263: ok 25611 263: ok 25612 263: ok 25613 263: ok 25614 263: ok 25615 263: ok 25616 263: ok 25617 263: ok 25618 263: ok 25619 263: ok 25620 263: ok 25621 263: ok 25622 263: ok 25623 263: ok 25624 263: ok 25625 263: ok 25626 263: ok 25627 263: ok 25628 263: ok 25629 263: ok 25630 263: ok 25631 263: ok 25632 263: ok 25633 263: ok 25634 263: ok 25635 263: ok 25636 263: ok 25637 263: ok 25638 263: ok 25639 263: ok 25640 263: ok 25641 263: ok 25642 263: ok 25643 263: ok 25644 263: ok 25645 263: ok 25646 263: ok 25647 263: ok 25648 263: ok 25649 263: ok 25650 263: ok 25651 263: ok 25652 263: ok 25653 263: ok 25654 263: ok 25655 263: ok 25656 263: ok 25657 263: ok 25658 263: ok 25659 263: ok 25660 263: ok 25661 263: ok 25662 263: ok 25663 263: ok 25664 263: ok 25665 263: ok 25666 263: ok 25667 263: ok 25668 263: ok 25669 263: ok 25670 263: ok 25671 263: ok 25672 263: ok 25673 263: ok 25674 263: ok 25675 263: ok 25676 263: ok 25677 263: ok 25678 263: ok 25679 263: ok 25680 263: ok 25681 263: ok 25682 263: ok 25683 263: ok 25684 263: ok 25685 263: ok 25686 263: ok 25687 263: ok 25688 263: ok 25689 263: ok 25690 263: ok 25691 263: ok 25692 263: ok 25693 263: ok 25694 263: ok 25695 263: ok 25696 263: ok 25697 263: ok 25698 263: ok 25699 263: ok 25700 263: ok 25701 263: ok 25702 263: ok 25703 263: ok 25704 263: ok 25705 263: ok 25706 263: ok 25707 263: ok 25708 263: ok 25709 263: ok 25710 263: ok 25711 263: ok 25712 263: ok 25713 263: ok 25714 263: ok 25715 263: ok 25716 263: ok 25717 263: ok 25718 263: ok 25719 263: ok 25720 263: ok 25721 263: ok 25722 263: ok 25723 263: ok 25724 263: ok 25725 263: ok 25726 263: ok 25727 263: ok 25728 263: ok 25729 263: ok 25730 263: ok 25731 263: ok 25732 263: ok 25733 263: ok 25734 263: ok 25735 263: ok 25736 263: ok 25737 263: ok 25738 263: ok 25739 263: ok 25740 263: ok 25741 263: ok 25742 263: ok 25743 263: ok 25744 263: ok 25745 263: ok 25746 263: ok 25747 263: ok 25748 263: ok 25749 263: ok 25750 263: ok 25751 263: ok 25752 263: ok 25753 263: ok 25754 263: ok 25755 263: ok 25756 263: ok 25757 263: ok 25758 263: ok 25759 263: ok 25760 263: ok 25761 263: ok 25762 263: ok 25763 263: ok 25764 263: ok 25765 263: ok 25766 263: ok 25767 263: ok 25768 263: ok 25769 263: ok 25770 263: ok 25771 263: ok 25772 263: ok 25773 263: ok 25774 263: ok 25775 263: ok 25776 263: ok 25777 263: ok 25778 263: ok 25779 263: ok 25780 263: ok 25781 263: ok 25782 263: ok 25783 263: ok 25784 263: ok 25785 263: ok 25786 263: ok 25787 263: ok 25788 263: ok 25789 263: ok 25790 263: ok 25791 263: ok 25792 263: ok 25793 263: ok 25794 263: ok 25795 263: ok 25796 263: ok 25797 263: ok 25798 263: ok 25799 263: ok 25800 263: ok 25801 263: ok 25802 263: ok 25803 263: ok 25804 263: ok 25805 263: ok 25806 263: ok 25807 263: ok 25808 263: ok 25809 263: ok 25810 263: ok 25811 263: ok 25812 263: ok 25813 263: ok 25814 263: ok 25815 263: ok 25816 263: ok 25817 263: ok 25818 263: ok 25819 263: ok 25820 263: ok 25821 263: ok 25822 263: ok 25823 263: ok 25824 263: ok 25825 263: ok 25826 263: ok 25827 263: ok 25828 263: ok 25829 263: ok 25830 263: ok 25831 263: ok 25832 263: ok 25833 263: ok 25834 263: ok 25835 263: ok 25836 263: ok 25837 263: ok 25838 263: ok 25839 263: ok 25840 263: ok 25841 263: ok 25842 263: ok 25843 263: ok 25844 263: ok 25845 263: ok 25846 263: ok 25847 263: ok 25848 263: ok 25849 263: ok 25850 263: ok 25851 263: ok 25852 263: ok 25853 263: ok 25854 263: ok 25855 263: ok 25856 263: ok 25857 263: ok 25858 263: ok 25859 263: ok 25860 263: ok 25861 263: ok 25862 263: ok 25863 263: ok 25864 263: ok 25865 263: ok 25866 263: ok 25867 263: ok 25868 263: ok 25869 263: ok 25870 263: ok 25871 263: ok 25872 263: ok 25873 263: ok 25874 263: ok 25875 263: ok 25876 263: ok 25877 263: ok 25878 263: ok 25879 263: ok 25880 263: ok 25881 263: ok 25882 263: ok 25883 263: ok 25884 263: ok 25885 263: ok 25886 263: ok 25887 263: ok 25888 263: ok 25889 263: ok 25890 263: ok 25891 263: ok 25892 263: ok 25893 263: ok 25894 263: ok 25895 263: ok 25896 263: ok 25897 263: ok 25898 263: ok 25899 263: ok 25900 263: ok 25901 263: ok 25902 263: ok 25903 263: ok 25904 263: ok 25905 263: ok 25906 263: ok 25907 263: ok 25908 263: ok 25909 263: ok 25910 263: ok 25911 263: ok 25912 263: ok 25913 263: ok 25914 263: ok 25915 263: ok 25916 263: ok 25917 263: ok 25918 263: ok 25919 263: ok 25920 263: ok 25921 263: ok 25922 263: ok 25923 263: ok 25924 263: ok 25925 263: ok 25926 263: ok 25927 263: ok 25928 263: ok 25929 263: ok 25930 263: ok 25931 263: ok 25932 263: ok 25933 263: ok 25934 263: ok 25935 263: ok 25936 263: ok 25937 263: ok 25938 263: ok 25939 263: ok 25940 263: ok 25941 263: ok 25942 263: ok 25943 263: ok 25944 263: ok 25945 263: ok 25946 263: ok 25947 263: ok 25948 263: ok 25949 263: ok 25950 263: ok 25951 263: ok 25952 263: ok 25953 263: ok 25954 263: ok 25955 263: ok 25956 263: ok 25957 263: ok 25958 263: ok 25959 263: ok 25960 263: ok 25961 263: ok 25962 263: ok 25963 263: ok 25964 263: ok 25965 263: ok 25966 263: ok 25967 263: ok 25968 263: ok 25969 263: ok 25970 263: ok 25971 263: ok 25972 263: ok 25973 263: ok 25974 263: ok 25975 263: ok 25976 263: ok 25977 263: ok 25978 263: ok 25979 263: ok 25980 263: ok 25981 263: ok 25982 263: ok 25983 263: ok 25984 263: ok 25985 263: ok 25986 263: ok 25987 263: ok 25988 263: ok 25989 263: ok 25990 263: ok 25991 263: ok 25992 263: ok 25993 263: ok 25994 263: ok 25995 263: ok 25996 263: ok 25997 263: ok 25998 263: ok 25999 263: ok 26000 263: ok 26001 263: ok 26002 263: ok 26003 263: ok 26004 263: ok 26005 263: ok 26006 263: ok 26007 263: ok 26008 263: ok 26009 263: ok 26010 263: ok 26011 263: ok 26012 263: ok 26013 263: ok 26014 263: ok 26015 263: ok 26016 263: ok 26017 263: ok 26018 263: ok 26019 263: ok 26020 263: ok 26021 263: ok 26022 263: ok 26023 263: ok 26024 263: ok 26025 263: ok 26026 263: ok 26027 263: ok 26028 263: ok 26029 263: ok 26030 263: ok 26031 263: ok 26032 263: ok 26033 263: ok 26034 263: ok 26035 263: ok 26036 263: ok 26037 263: ok 26038 263: ok 26039 263: ok 26040 263: ok 26041 263: ok 26042 263: ok 26043 263: ok 26044 263: ok 26045 263: ok 26046 263: ok 26047 263: ok 26048 263: ok 26049 263: ok 26050 263: ok 26051 263: ok 26052 263: ok 26053 263: ok 26054 263: ok 26055 263: ok 26056 263: ok 26057 263: ok 26058 263: ok 26059 263: ok 26060 263: ok 26061 263: ok 26062 263: ok 26063 263: ok 26064 263: ok 26065 263: ok 26066 263: ok 26067 263: ok 26068 263: ok 26069 263: ok 26070 263: ok 26071 263: ok 26072 263: ok 26073 263: ok 26074 263: ok 26075 263: ok 26076 263: ok 26077 263: ok 26078 263: ok 26079 263: ok 26080 263: ok 26081 263: ok 26082 263: ok 26083 263: ok 26084 263: ok 26085 263: ok 26086 263: ok 26087 263: ok 26088 263: ok 26089 263: ok 26090 263: ok 26091 263: ok 26092 263: ok 26093 263: ok 26094 263: ok 26095 263: ok 26096 263: ok 26097 263: ok 26098 263: ok 26099 263: ok 26100 263: ok 26101 263: ok 26102 263: ok 26103 263: ok 26104 263: ok 26105 263: ok 26106 263: ok 26107 263: ok 26108 263: ok 26109 263: ok 26110 263: ok 26111 263: ok 26112 263: ok 26113 263: ok 26114 263: ok 26115 263: ok 26116 263: ok 26117 263: ok 26118 263: ok 26119 263: ok 26120 263: ok 26121 263: ok 26122 263: ok 26123 263: ok 26124 263: ok 26125 263: ok 26126 263: ok 26127 263: ok 26128 263: ok 26129 263: ok 26130 263: ok 26131 263: ok 26132 263: ok 26133 263: ok 26134 263: ok 26135 263: ok 26136 263: ok 26137 263: ok 26138 263: ok 26139 263: ok 26140 263: ok 26141 263: ok 26142 263: ok 26143 263: ok 26144 263: ok 26145 263: ok 26146 263: ok 26147 263: ok 26148 263: ok 26149 263: ok 26150 263: ok 26151 263: ok 26152 263: ok 26153 263: ok 26154 263: ok 26155 263: ok 26156 263: ok 26157 263: ok 26158 263: ok 26159 263: ok 26160 263: ok 26161 263: ok 26162 263: ok 26163 263: ok 26164 263: ok 26165 263: ok 26166 263: ok 26167 263: ok 26168 263: ok 26169 263: ok 26170 263: ok 26171 263: ok 26172 263: ok 26173 263: ok 26174 263: ok 26175 263: ok 26176 263: ok 26177 263: ok 26178 263: ok 26179 263: ok 26180 263: ok 26181 263: ok 26182 263: ok 26183 263: ok 26184 263: ok 26185 263: ok 26186 263: ok 26187 263: ok 26188 263: ok 26189 263: ok 26190 263: ok 26191 263: ok 26192 263: ok 26193 263: ok 26194 263: ok 26195 263: ok 26196 263: ok 26197 263: ok 26198 263: ok 26199 263: ok 26200 263: ok 26201 263: ok 26202 263: ok 26203 263: ok 26204 263: ok 26205 263: ok 26206 263: ok 26207 263: ok 26208 263: ok 26209 263: ok 26210 263: ok 26211 263: ok 26212 263: ok 26213 263: ok 26214 263: ok 26215 263: ok 26216 263: ok 26217 263: ok 26218 263: ok 26219 263: ok 26220 263: ok 26221 263: ok 26222 263: ok 26223 263: ok 26224 263: ok 26225 263: ok 26226 263: ok 26227 263: ok 26228 263: ok 26229 263: ok 26230 263: ok 26231 263: ok 26232 263: ok 26233 263: ok 26234 263: ok 26235 263: ok 26236 263: ok 26237 263: ok 26238 263: ok 26239 263: ok 26240 263: ok 26241 263: ok 26242 263: ok 26243 263: ok 26244 263: ok 26245 263: ok 26246 263: ok 26247 263: ok 26248 263: ok 26249 263: ok 26250 263: ok 26251 263: ok 26252 263: ok 26253 263: ok 26254 263: ok 26255 263: ok 26256 263: ok 26257 263: ok 26258 263: ok 26259 263: ok 26260 263: ok 26261 263: ok 26262 263: ok 26263 263: ok 26264 263: ok 26265 263: ok 26266 263: ok 26267 263: ok 26268 263: ok 26269 263: ok 26270 263: ok 26271 263: ok 26272 263: ok 26273 263: ok 26274 263: ok 26275 263: ok 26276 263: ok 26277 263: ok 26278 263: ok 26279 263: ok 26280 263: ok 26281 263: ok 26282 263: ok 26283 263: ok 26284 263: ok 26285 263: ok 26286 263: ok 26287 263: ok 26288 263: ok 26289 263: ok 26290 263: ok 26291 263: ok 26292 263: ok 26293 263: ok 26294 263: ok 26295 263: ok 26296 263: ok 26297 263: ok 26298 263: ok 26299 263: ok 26300 263: ok 26301 263: ok 26302 263: ok 26303 263: ok 26304 263: ok 26305 263: ok 26306 263: ok 26307 263: ok 26308 263: ok 26309 263: ok 26310 263: ok 26311 263: ok 26312 263: ok 26313 263: ok 26314 263: ok 26315 263: ok 26316 263: ok 26317 263: ok 26318 263: ok 26319 263: ok 26320 263: ok 26321 263: ok 26322 263: ok 26323 263: ok 26324 263: ok 26325 263: ok 26326 263: ok 26327 263: ok 26328 263: ok 26329 263: ok 26330 263: ok 26331 263: ok 26332 263: ok 26333 263: ok 26334 263: ok 26335 263: ok 26336 263: ok 26337 263: ok 26338 263: ok 26339 263: ok 26340 263: ok 26341 263: ok 26342 263: ok 26343 263: ok 26344 263: ok 26345 263: ok 26346 263: ok 26347 263: ok 26348 263: ok 26349 263: ok 26350 263: ok 26351 263: ok 26352 263: ok 26353 263: ok 26354 263: ok 26355 263: ok 26356 263: ok 26357 263: ok 26358 263: ok 26359 263: ok 26360 263: ok 26361 263: ok 26362 263: ok 26363 263: ok 26364 263: ok 26365 263: ok 26366 263: ok 26367 263: ok 26368 263: ok 26369 263: ok 26370 263: ok 26371 263: ok 26372 263: ok 26373 263: ok 26374 263: ok 26375 263: ok 26376 263: ok 26377 263: ok 26378 263: ok 26379 263: ok 26380 263: ok 26381 263: ok 26382 263: ok 26383 263: ok 26384 263: ok 26385 263: ok 26386 263: ok 26387 263: ok 26388 263: ok 26389 263: ok 26390 263: ok 26391 263: ok 26392 263: ok 26393 263: ok 26394 263: ok 26395 263: ok 26396 263: ok 26397 263: ok 26398 263: ok 26399 263: ok 26400 263: ok 26401 263: ok 26402 263: ok 26403 263: ok 26404 263: ok 26405 263: ok 26406 263: ok 26407 263: ok 26408 263: ok 26409 263: ok 26410 263: ok 26411 263: ok 26412 263: ok 26413 263: ok 26414 263: ok 26415 263: ok 26416 263: ok 26417 263: ok 26418 263: ok 26419 263: ok 26420 263: ok 26421 263: ok 26422 263: ok 26423 263: ok 26424 263: ok 26425 263: ok 26426 263: ok 26427 263: ok 26428 263: ok 26429 263: ok 26430 263: ok 26431 263: ok 26432 263: ok 26433 263: ok 26434 263: ok 26435 263: ok 26436 263: ok 26437 263: ok 26438 263: ok 26439 263: ok 26440 263: ok 26441 263: ok 26442 263: ok 26443 263: ok 26444 263: ok 26445 263: ok 26446 263: ok 26447 263: ok 26448 263: ok 26449 263: ok 26450 263: ok 26451 263: ok 26452 263: ok 26453 263: ok 26454 263: ok 26455 263: ok 26456 263: ok 26457 263: ok 26458 263: ok 26459 263: ok 26460 263: ok 26461 263: ok 26462 263: ok 26463 263: ok 26464 263: ok 26465 263: ok 26466 263: ok 26467 263: ok 26468 263: ok 26469 263: ok 26470 263: ok 26471 263: ok 26472 263: ok 26473 263: ok 26474 263: ok 26475 263: ok 26476 263: ok 26477 263: ok 26478 263: ok 26479 263: ok 26480 263: ok 26481 263: ok 26482 263: ok 26483 263: ok 26484 263: ok 26485 263: ok 26486 263: ok 26487 263: ok 26488 263: ok 26489 263: ok 26490 263: ok 26491 263: ok 26492 263: ok 26493 263: ok 26494 263: ok 26495 263: ok 26496 263: ok 26497 263: ok 26498 263: ok 26499 263: ok 26500 263: ok 26501 263: ok 26502 263: ok 26503 263: ok 26504 263: ok 26505 263: ok 26506 263: ok 26507 263: ok 26508 263: ok 26509 263: ok 26510 263: ok 26511 263: ok 26512 263: ok 26513 263: ok 26514 263: ok 26515 263: ok 26516 263: ok 26517 263: ok 26518 263: ok 26519 263: ok 26520 263: ok 26521 263: ok 26522 263: ok 26523 263: ok 26524 263: ok 26525 263: ok 26526 263: ok 26527 263: ok 26528 263: ok 26529 263: ok 26530 263: ok 26531 263: ok 26532 263: ok 26533 263: ok 26534 263: ok 26535 263: ok 26536 263: ok 26537 263: ok 26538 263: ok 26539 263: ok 26540 263: ok 26541 263: ok 26542 263: ok 26543 263: ok 26544 263: ok 26545 263: ok 26546 263: ok 26547 263: ok 26548 263: ok 26549 263: ok 26550 263: ok 26551 263: ok 26552 263: ok 26553 263: ok 26554 263: ok 26555 263: ok 26556 263: ok 26557 263: ok 26558 263: ok 26559 263: ok 26560 263: ok 26561 263: ok 26562 263: ok 26563 263: ok 26564 263: ok 26565 263: ok 26566 263: ok 26567 263: ok 26568 263: ok 26569 263: ok 26570 263: ok 26571 263: ok 26572 263: ok 26573 263: ok 26574 263: ok 26575 263: ok 26576 263: ok 26577 263: ok 26578 263: ok 26579 263: ok 26580 263: ok 26581 263: ok 26582 263: ok 26583 263: ok 26584 263: ok 26585 263: ok 26586 263: ok 26587 263: ok 26588 263: ok 26589 263: ok 26590 263: ok 26591 263: ok 26592 263: ok 26593 263: ok 26594 263: ok 26595 263: ok 26596 263: ok 26597 263: ok 26598 263: ok 26599 263: ok 26600 263: ok 26601 263: ok 26602 263: ok 26603 263: ok 26604 263: ok 26605 263: ok 26606 263: ok 26607 263: ok 26608 263: ok 26609 263: ok 26610 263: ok 26611 263: ok 26612 263: ok 26613 263: ok 26614 263: ok 26615 263: ok 26616 263: ok 26617 263: ok 26618 263: ok 26619 263: ok 26620 263: ok 26621 263: ok 26622 263: ok 26623 263: ok 26624 263: ok 26625 263: ok 26626 263: ok 26627 263: ok 26628 263: ok 26629 263: ok 26630 263: ok 26631 263: ok 26632 263: ok 26633 263: ok 26634 263: ok 26635 263: ok 26636 263: ok 26637 263: ok 26638 263: ok 26639 263: ok 26640 263: ok 26641 263: ok 26642 263: ok 26643 263: ok 26644 263: ok 26645 263: ok 26646 263: ok 26647 263: ok 26648 263: ok 26649 263: ok 26650 263: ok 26651 263: ok 26652 263: ok 26653 263: ok 26654 263: ok 26655 263: ok 26656 263: ok 26657 263: ok 26658 263: ok 26659 263: ok 26660 263: ok 26661 263: ok 26662 263: ok 26663 263: ok 26664 263: ok 26665 263: ok 26666 263: ok 26667 263: ok 26668 263: ok 26669 263: ok 26670 263: ok 26671 263: ok 26672 263: ok 26673 263: ok 26674 263: ok 26675 263: ok 26676 263: ok 26677 263: ok 26678 263: ok 26679 263: ok 26680 263: ok 26681 263: ok 26682 263: ok 26683 263: ok 26684 263: ok 26685 263: ok 26686 263: ok 26687 263: ok 26688 263: ok 26689 263: ok 26690 263: ok 26691 263: ok 26692 263: ok 26693 263: ok 26694 263: ok 26695 263: ok 26696 263: ok 26697 263: ok 26698 263: ok 26699 263: ok 26700 263: ok 26701 263: ok 26702 263: ok 26703 263: ok 26704 263: ok 26705 263: ok 26706 263: ok 26707 263: ok 26708 263: ok 26709 263: ok 26710 263: ok 26711 263: ok 26712 263: ok 26713 263: ok 26714 263: ok 26715 263: ok 26716 263: ok 26717 263: ok 26718 263: ok 26719 263: ok 26720 263: ok 26721 263: ok 26722 263: ok 26723 263: ok 26724 263: ok 26725 263: ok 26726 263: ok 26727 263: ok 26728 263: ok 26729 263: ok 26730 263: ok 26731 263: ok 26732 263: ok 26733 263: ok 26734 263: ok 26735 263: ok 26736 263: ok 26737 263: ok 26738 263: ok 26739 263: ok 26740 263: ok 26741 263: ok 26742 263: ok 26743 263: ok 26744 263: ok 26745 263: ok 26746 263: ok 26747 263: ok 26748 263: ok 26749 263: ok 26750 263: ok 26751 263: ok 26752 263: ok 26753 263: ok 26754 263: ok 26755 263: ok 26756 263: ok 26757 263: ok 26758 263: ok 26759 263: ok 26760 263: ok 26761 263: ok 26762 263: ok 26763 263: ok 26764 263: ok 26765 263: ok 26766 263: ok 26767 263: ok 26768 263: ok 26769 263: ok 26770 263: ok 26771 263: ok 26772 263: ok 26773 263: ok 26774 263: ok 26775 263: ok 26776 263: ok 26777 263: ok 26778 263: ok 26779 263: ok 26780 263: ok 26781 263: ok 26782 263: ok 26783 263: ok 26784 263: ok 26785 263: ok 26786 263: ok 26787 263: ok 26788 263: ok 26789 263: ok 26790 263: ok 26791 263: ok 26792 263: ok 26793 263: ok 26794 263: ok 26795 263: ok 26796 263: ok 26797 263: ok 26798 263: ok 26799 263: ok 26800 263: ok 26801 263: ok 26802 263: ok 26803 263: ok 26804 263: ok 26805 263: ok 26806 263: ok 26807 263: ok 26808 263: ok 26809 263: ok 26810 263: ok 26811 263: ok 26812 263: ok 26813 263: ok 26814 263: ok 26815 263: ok 26816 263: ok 26817 263: ok 26818 263: ok 26819 263: ok 26820 263: ok 26821 263: ok 26822 263: ok 26823 263: ok 26824 263: ok 26825 263: ok 26826 263: ok 26827 263: ok 26828 263: ok 26829 263: ok 26830 263: ok 26831 263: ok 26832 263: ok 26833 263: ok 26834 263: ok 26835 263: ok 26836 263: ok 26837 263: ok 26838 263: ok 26839 263: ok 26840 263: ok 26841 263: ok 26842 263: ok 26843 263: ok 26844 263: ok 26845 263: ok 26846 263: ok 26847 263: ok 26848 263: ok 26849 263: ok 26850 263: ok 26851 263: ok 26852 263: ok 26853 263: ok 26854 263: ok 26855 263: ok 26856 263: ok 26857 263: ok 26858 263: ok 26859 263: ok 26860 263: ok 26861 263: ok 26862 263: ok 26863 263: ok 26864 263: ok 26865 263: ok 26866 263: ok 26867 263: ok 26868 263: ok 26869 263: ok 26870 263: ok 26871 263: ok 26872 263: ok 26873 263: ok 26874 263: ok 26875 263: ok 26876 263: ok 26877 263: ok 26878 263: ok 26879 263: ok 26880 263: ok 26881 263: ok 26882 263: ok 26883 263: ok 26884 263: ok 26885 263: ok 26886 263: ok 26887 263: ok 26888 263: ok 26889 263: ok 26890 263: ok 26891 263: ok 26892 263: ok 26893 263: ok 26894 263: ok 26895 263: ok 26896 263: ok 26897 263: ok 26898 263: ok 26899 263: ok 26900 263: ok 26901 263: ok 26902 263: ok 26903 263: ok 26904 263: ok 26905 263: ok 26906 263: ok 26907 263: ok 26908 263: ok 26909 263: ok 26910 263: ok 26911 263: ok 26912 263: ok 26913 263: ok 26914 263: ok 26915 263: ok 26916 263: ok 26917 263: ok 26918 263: ok 26919 263: ok 26920 263: ok 26921 263: ok 26922 263: ok 26923 263: ok 26924 263: ok 26925 263: ok 26926 263: ok 26927 263: ok 26928 263: ok 26929 263: ok 26930 263: ok 26931 263: ok 26932 263: ok 26933 263: ok 26934 263: ok 26935 263: ok 26936 263: ok 26937 263: ok 26938 263: ok 26939 263: ok 26940 263: ok 26941 263: ok 26942 263: ok 26943 263: ok 26944 263: ok 26945 263: ok 26946 263: ok 26947 263: ok 26948 263: ok 26949 263: ok 26950 263: ok 26951 263: ok 26952 263: ok 26953 263: ok 26954 263: ok 26955 263: ok 26956 263: ok 26957 263: ok 26958 263: ok 26959 263: ok 26960 263: ok 26961 263: ok 26962 263: ok 26963 263: ok 26964 263: ok 26965 263: ok 26966 263: ok 26967 263: ok 26968 263: ok 26969 263: ok 26970 263: ok 26971 263: ok 26972 263: ok 26973 263: ok 26974 263: ok 26975 263: ok 26976 263: ok 26977 263: ok 26978 263: ok 26979 263: ok 26980 263: ok 26981 263: ok 26982 263: ok 26983 263: ok 26984 263: ok 26985 263: ok 26986 263: ok 26987 263: ok 26988 263: ok 26989 263: ok 26990 263: ok 26991 263: ok 26992 263: ok 26993 263: ok 26994 263: ok 26995 263: ok 26996 263: ok 26997 263: ok 26998 263: ok 26999 263: ok 27000 263: ok 27001 263: ok 27002 263: ok 27003 263: ok 27004 263: ok 27005 263: ok 27006 263: ok 27007 263: ok 27008 263: ok 27009 263: ok 27010 263: ok 27011 263: ok 27012 263: ok 27013 263: ok 27014 263: ok 27015 263: ok 27016 263: ok 27017 263: ok 27018 263: ok 27019 263: ok 27020 263: ok 27021 263: ok 27022 263: ok 27023 263: ok 27024 263: ok 27025 263: ok 27026 263: ok 27027 263: ok 27028 263: ok 27029 263: ok 27030 263: ok 27031 263: ok 27032 263: ok 27033 263: ok 27034 263: ok 27035 263: ok 27036 263: ok 27037 263: ok 27038 263: ok 27039 263: ok 27040 263: ok 27041 263: ok 27042 263: ok 27043 263: ok 27044 263: ok 27045 263: ok 27046 263: ok 27047 263: ok 27048 263: ok 27049 263: ok 27050 263: ok 27051 263: ok 27052 263: ok 27053 263: ok 27054 263: ok 27055 263: ok 27056 263: ok 27057 263: ok 27058 263: ok 27059 263: ok 27060 263: ok 27061 263: ok 27062 263: ok 27063 263: ok 27064 263: ok 27065 263: ok 27066 263: ok 27067 263: ok 27068 263: ok 27069 263: ok 27070 263: ok 27071 263: ok 27072 263: ok 27073 263: ok 27074 263: ok 27075 263: ok 27076 263: ok 27077 263: ok 27078 263: ok 27079 263: ok 27080 263: ok 27081 263: ok 27082 263: ok 27083 263: ok 27084 263: ok 27085 263: ok 27086 263: ok 27087 263: ok 27088 263: ok 27089 263: ok 27090 263: ok 27091 263: ok 27092 263: ok 27093 263: ok 27094 263: ok 27095 263: ok 27096 263: ok 27097 263: ok 27098 263: ok 27099 263: ok 27100 263: ok 27101 263: ok 27102 263: ok 27103 263: ok 27104 263: ok 27105 263: ok 27106 263: ok 27107 263: ok 27108 263: ok 27109 263: ok 27110 263: ok 27111 263: ok 27112 263: ok 27113 263: ok 27114 263: ok 27115 263: ok 27116 263: ok 27117 263: ok 27118 263: ok 27119 263: ok 27120 263: ok 27121 263: ok 27122 263: ok 27123 263: ok 27124 263: ok 27125 263: ok 27126 263: ok 27127 263: ok 27128 263: ok 27129 263: ok 27130 263: ok 27131 263: ok 27132 263: ok 27133 263: ok 27134 263: ok 27135 263: ok 27136 263: ok 27137 263: ok 27138 263: ok 27139 263: ok 27140 263: ok 27141 263: ok 27142 263: ok 27143 263: ok 27144 263: ok 27145 263: ok 27146 263: ok 27147 263: ok 27148 263: ok 27149 263: ok 27150 263: ok 27151 263: ok 27152 263: ok 27153 263: ok 27154 263: ok 27155 263: ok 27156 263: ok 27157 263: ok 27158 263: ok 27159 263: ok 27160 263: ok 27161 263: ok 27162 263: ok 27163 263: ok 27164 263: ok 27165 263: ok 27166 263: ok 27167 263: ok 27168 263: ok 27169 263: ok 27170 263: ok 27171 263: ok 27172 263: ok 27173 263: ok 27174 263: ok 27175 263: ok 27176 263: ok 27177 263: ok 27178 263: ok 27179 263: ok 27180 263: ok 27181 263: ok 27182 263: ok 27183 263: ok 27184 263: ok 27185 263: ok 27186 263: ok 27187 263: ok 27188 263: ok 27189 263: ok 27190 263: ok 27191 263: ok 27192 263: ok 27193 263: ok 27194 263: ok 27195 263: ok 27196 263: ok 27197 263: ok 27198 263: ok 27199 263: ok 27200 263: ok 27201 263: ok 27202 263: ok 27203 263: ok 27204 263: ok 27205 263: ok 27206 263: ok 27207 263: ok 27208 263: ok 27209 263: ok 27210 263: ok 27211 263: ok 27212 263: ok 27213 263: ok 27214 263: ok 27215 263: ok 27216 263: ok 27217 263: ok 27218 263: ok 27219 263: ok 27220 263: ok 27221 263: ok 27222 263: ok 27223 263: ok 27224 263: ok 27225 263: ok 27226 263: ok 27227 263: ok 27228 263: ok 27229 263: ok 27230 263: ok 27231 263: ok 27232 263: ok 27233 263: ok 27234 263: ok 27235 263: ok 27236 263: ok 27237 263: ok 27238 263: ok 27239 263: ok 27240 263: ok 27241 263: ok 27242 263: ok 27243 263: ok 27244 263: ok 27245 263: ok 27246 263: ok 27247 263: ok 27248 263: ok 27249 263: ok 27250 263: ok 27251 263: ok 27252 263: ok 27253 263: ok 27254 263: ok 27255 263: ok 27256 263: ok 27257 263: ok 27258 263: ok 27259 263: ok 27260 263: ok 27261 263: ok 27262 263: ok 27263 263: ok 27264 263: ok 27265 263: ok 27266 263: ok 27267 263: ok 27268 263: ok 27269 263: ok 27270 263: ok 27271 263: ok 27272 263: ok 27273 263: ok 27274 263: ok 27275 263: ok 27276 263: ok 27277 263: ok 27278 263: ok 27279 263: ok 27280 263: ok 27281 263: ok 27282 263: ok 27283 263: ok 27284 263: ok 27285 263: ok 27286 263: ok 27287 263: ok 27288 263: ok 27289 263: ok 27290 263: ok 27291 263: ok 27292 263: ok 27293 263: ok 27294 263: ok 27295 263: ok 27296 263: ok 27297 263: ok 27298 263: ok 27299 263: ok 27300 263: ok 27301 263: ok 27302 263: ok 27303 263: ok 27304 263: ok 27305 263: ok 27306 263: ok 27307 263: ok 27308 263: ok 27309 263: ok 27310 263: ok 27311 263: ok 27312 263: ok 27313 263: ok 27314 263: ok 27315 263: ok 27316 263: ok 27317 263: ok 27318 263: ok 27319 263: ok 27320 263: ok 27321 263: ok 27322 263: ok 27323 263: ok 27324 263: ok 27325 263: ok 27326 263: ok 27327 263: ok 27328 263: ok 27329 263: ok 27330 263: ok 27331 263: ok 27332 263: ok 27333 263: ok 27334 263: ok 27335 263: ok 27336 263: ok 27337 263: ok 27338 263: ok 27339 263: ok 27340 263: ok 27341 263: ok 27342 263: ok 27343 263: ok 27344 263: ok 27345 263: ok 27346 263: ok 27347 263: ok 27348 263: ok 27349 263: ok 27350 263: ok 27351 263: ok 27352 263: ok 27353 263: ok 27354 263: ok 27355 263: ok 27356 263: ok 27357 263: ok 27358 263: ok 27359 263: ok 27360 263: ok 27361 263: ok 27362 263: ok 27363 263: ok 27364 263: ok 27365 263: ok 27366 263: ok 27367 263: ok 27368 263: ok 27369 263: ok 27370 263: ok 27371 263: ok 27372 263: ok 27373 263: ok 27374 263: ok 27375 263: ok 27376 263: ok 27377 263: ok 27378 263: ok 27379 263: ok 27380 263: ok 27381 263: ok 27382 263: ok 27383 263: ok 27384 263: ok 27385 263: ok 27386 263: ok 27387 263: ok 27388 263: ok 27389 263: ok 27390 263: ok 27391 263: ok 27392 263: ok 27393 263: ok 27394 263: ok 27395 263: ok 27396 263: ok 27397 263: ok 27398 263: ok 27399 263: ok 27400 263: ok 27401 263: ok 27402 263: ok 27403 263: ok 27404 263: ok 27405 263: ok 27406 263: ok 27407 263: ok 27408 263: ok 27409 263: ok 27410 263: ok 27411 263: ok 27412 263: ok 27413 263: ok 27414 263: ok 27415 263: ok 27416 263: ok 27417 263: ok 27418 263: ok 27419 263: ok 27420 263: ok 27421 263: ok 27422 263: ok 27423 263: ok 27424 263: ok 27425 263: ok 27426 263: ok 27427 263: ok 27428 263: ok 27429 263: ok 27430 263: ok 27431 263: ok 27432 263: ok 27433 263: ok 27434 263: ok 27435 263: ok 27436 263: ok 27437 263: ok 27438 263: ok 27439 263: ok 27440 263: ok 27441 263: ok 27442 263: ok 27443 263: ok 27444 263: ok 27445 263: ok 27446 263: ok 27447 263: ok 27448 263: ok 27449 263: ok 27450 263: ok 27451 263: ok 27452 263: ok 27453 263: ok 27454 263: ok 27455 263: ok 27456 263: ok 27457 263: ok 27458 263: ok 27459 263: ok 27460 263: ok 27461 263: ok 27462 263: ok 27463 263: ok 27464 263: ok 27465 263: ok 27466 263: ok 27467 263: ok 27468 263: ok 27469 263: ok 27470 263: ok 27471 263: ok 27472 263: ok 27473 263: ok 27474 263: ok 27475 263: ok 27476 263: ok 27477 263: ok 27478 263: ok 27479 263: ok 27480 263: ok 27481 263: ok 27482 263: ok 27483 263: ok 27484 263: ok 27485 263: ok 27486 263: ok 27487 263: ok 27488 263: ok 27489 263: ok 27490 263: ok 27491 263: ok 27492 263: ok 27493 263: ok 27494 263: ok 27495 263: ok 27496 263: ok 27497 263: ok 27498 263: ok 27499 263: ok 27500 263: ok 27501 263: ok 27502 263: ok 27503 263: ok 27504 263: ok 27505 263: ok 27506 263: ok 27507 263: ok 27508 263: ok 27509 263: ok 27510 263: ok 27511 263: ok 27512 263: ok 27513 263: ok 27514 263: ok 27515 263: ok 27516 263: ok 27517 263: ok 27518 263: ok 27519 263: ok 27520 263: ok 27521 263: ok 27522 263: ok 27523 263: ok 27524 263: ok 27525 263: ok 27526 263: ok 27527 263: ok 27528 263: ok 27529 263: ok 27530 263: ok 27531 263: ok 27532 263: ok 27533 263: ok 27534 263: ok 27535 263: ok 27536 263: ok 27537 263: ok 27538 263: ok 27539 263: ok 27540 263: ok 27541 263: ok 27542 263: ok 27543 263: ok 27544 263: ok 27545 263: ok 27546 263: ok 27547 263: ok 27548 263: ok 27549 263: ok 27550 263: ok 27551 263: ok 27552 263: ok 27553 263: ok 27554 263: ok 27555 263: ok 27556 263: ok 27557 263: ok 27558 263: ok 27559 263: ok 27560 263: ok 27561 263: ok 27562 263: ok 27563 263: ok 27564 263: ok 27565 263: ok 27566 263: ok 27567 263: ok 27568 263: ok 27569 263: ok 27570 263: ok 27571 263: ok 27572 263: ok 27573 263: ok 27574 263: ok 27575 263: ok 27576 263: ok 27577 263: ok 27578 263: ok 27579 263: ok 27580 263: ok 27581 263: ok 27582 263: ok 27583 263: ok 27584 263: ok 27585 263: ok 27586 263: ok 27587 263: ok 27588 263: ok 27589 263: ok 27590 263: ok 27591 263: ok 27592 263: ok 27593 263: ok 27594 263: ok 27595 263: ok 27596 263: ok 27597 263: ok 27598 263: ok 27599 263: ok 27600 263: ok 27601 263: ok 27602 263: ok 27603 263: ok 27604 263: ok 27605 263: ok 27606 263: ok 27607 263: ok 27608 263: ok 27609 263: ok 27610 263: ok 27611 263: ok 27612 263: ok 27613 263: ok 27614 263: ok 27615 263: ok 27616 263: ok 27617 263: ok 27618 263: ok 27619 263: ok 27620 263: ok 27621 263: ok 27622 263: ok 27623 263: ok 27624 263: ok 27625 263: ok 27626 263: ok 27627 263: ok 27628 263: ok 27629 263: ok 27630 263: ok 27631 263: ok 27632 263: ok 27633 263: ok 27634 263: ok 27635 263: ok 27636 263: ok 27637 263: ok 27638 263: ok 27639 263: ok 27640 263: ok 27641 263: ok 27642 263: ok 27643 263: ok 27644 263: ok 27645 263: ok 27646 263: ok 27647 263: ok 27648 263: ok 27649 263: ok 27650 263: ok 27651 263: ok 27652 263: ok 27653 263: ok 27654 263: ok 27655 263: ok 27656 263: ok 27657 263: ok 27658 263: ok 27659 263: ok 27660 263: ok 27661 263: ok 27662 263: ok 27663 263: ok 27664 263: ok 27665 263: ok 27666 263: ok 27667 263: ok 27668 263: ok 27669 263: ok 27670 263: ok 27671 263: ok 27672 263: ok 27673 263: ok 27674 263: ok 27675 263: ok 27676 263: ok 27677 263: ok 27678 263: ok 27679 263: ok 27680 263: ok 27681 263: ok 27682 263: ok 27683 263: ok 27684 263: ok 27685 263: ok 27686 263: ok 27687 263: ok 27688 263: ok 27689 263: ok 27690 263: ok 27691 263: ok 27692 263: ok 27693 263: ok 27694 263: ok 27695 263: ok 27696 263: ok 27697 263: ok 27698 263: ok 27699 263: ok 27700 263: ok 27701 263: ok 27702 263: ok 27703 263: ok 27704 263: ok 27705 263: ok 27706 263: ok 27707 263: ok 27708 263: ok 27709 263: ok 27710 263: ok 27711 263: ok 27712 263: ok 27713 263: ok 27714 263: ok 27715 263: ok 27716 263: ok 27717 263: ok 27718 263: ok 27719 263: ok 27720 263: ok 27721 263: ok 27722 263: ok 27723 263: ok 27724 263: ok 27725 263: ok 27726 263: ok 27727 263: ok 27728 263: ok 27729 263: ok 27730 263: ok 27731 263: ok 27732 263: ok 27733 263: ok 27734 263: ok 27735 263: ok 27736 263: ok 27737 263: ok 27738 263: ok 27739 263: ok 27740 263: ok 27741 263: ok 27742 263: ok 27743 263: ok 27744 263: ok 27745 263: ok 27746 263: ok 27747 263: ok 27748 263: ok 27749 263: ok 27750 263: ok 27751 263: ok 27752 263: ok 27753 263: ok 27754 263: ok 27755 263: ok 27756 263: ok 27757 263: ok 27758 263: ok 27759 263: ok 27760 263: ok 27761 263: ok 27762 263: ok 27763 263: ok 27764 263: ok 27765 263: ok 27766 263: ok 27767 263: ok 27768 263: ok 27769 263: ok 27770 263: ok 27771 263: ok 27772 263: ok 27773 263: ok 27774 263: ok 27775 263: ok 27776 263: ok 27777 263: ok 27778 263: ok 27779 263: ok 27780 263: ok 27781 263: ok 27782 263: ok 27783 263: ok 27784 263: ok 27785 263: ok 27786 263: ok 27787 263: ok 27788 263: ok 27789 263: ok 27790 263: ok 27791 263: ok 27792 263: ok 27793 263: ok 27794 263: ok 27795 263: ok 27796 263: ok 27797 263: ok 27798 263: ok 27799 263: ok 27800 263: ok 27801 263: ok 27802 263: ok 27803 263: ok 27804 263: ok 27805 263: ok 27806 263: ok 27807 263: ok 27808 263: ok 27809 263: ok 27810 263: ok 27811 263: ok 27812 263: ok 27813 263: ok 27814 263: ok 27815 263: ok 27816 263: ok 27817 263: ok 27818 263: ok 27819 263: ok 27820 263: ok 27821 263: ok 27822 263: ok 27823 263: ok 27824 263: ok 27825 263: ok 27826 263: ok 27827 263: ok 27828 263: ok 27829 263: ok 27830 263: ok 27831 263: ok 27832 263: ok 27833 263: ok 27834 263: ok 27835 263: ok 27836 263: ok 27837 263: ok 27838 263: ok 27839 263: ok 27840 263: ok 27841 263: ok 27842 263: ok 27843 263: ok 27844 263: ok 27845 263: ok 27846 263: ok 27847 263: ok 27848 263: ok 27849 263: ok 27850 263: ok 27851 263: ok 27852 263: ok 27853 263: ok 27854 263: ok 27855 263: ok 27856 263: ok 27857 263: ok 27858 263: ok 27859 263: ok 27860 263: ok 27861 263: ok 27862 263: ok 27863 263: ok 27864 263: ok 27865 263: ok 27866 263: ok 27867 263: ok 27868 263: ok 27869 263: ok 27870 263: ok 27871 263: ok 27872 263: ok 27873 263: ok 27874 263: ok 27875 263: ok 27876 263: ok 27877 263: ok 27878 263: ok 27879 263: ok 27880 263: ok 27881 263: ok 27882 263: ok 27883 263: ok 27884 263: ok 27885 263: ok 27886 263: ok 27887 263: ok 27888 263: ok 27889 263: ok 27890 263: ok 27891 263: ok 27892 263: ok 27893 263: ok 27894 263: ok 27895 263: ok 27896 263: ok 27897 263: ok 27898 263: ok 27899 263: ok 27900 263: ok 27901 263: ok 27902 263: ok 27903 263: ok 27904 263: ok 27905 263: ok 27906 263: ok 27907 263: ok 27908 263: ok 27909 263: ok 27910 263: ok 27911 263: ok 27912 263: ok 27913 263: ok 27914 263: ok 27915 263: ok 27916 263: ok 27917 263: ok 27918 263: ok 27919 263: ok 27920 263: ok 27921 263: ok 27922 263: ok 27923 263: ok 27924 263: ok 27925 263: ok 27926 263: ok 27927 263: ok 27928 263: ok 27929 263: ok 27930 263: ok 27931 263: ok 27932 263: ok 27933 263: ok 27934 263: ok 27935 263: ok 27936 263: ok 27937 263: ok 27938 263: ok 27939 263: ok 27940 263: ok 27941 263: ok 27942 263: ok 27943 263: ok 27944 263: ok 27945 263: ok 27946 263: ok 27947 263: ok 27948 263: ok 27949 263: ok 27950 263: ok 27951 263: ok 27952 263: ok 27953 263: ok 27954 263: ok 27955 263: ok 27956 263: ok 27957 263: ok 27958 263: ok 27959 263: ok 27960 263: ok 27961 263: ok 27962 263: ok 27963 263: ok 27964 263: ok 27965 263: ok 27966 263: ok 27967 263: ok 27968 263: ok 27969 263: ok 27970 263: ok 27971 263: ok 27972 263: ok 27973 263: ok 27974 263: ok 27975 263: ok 27976 263: ok 27977 263: ok 27978 263: ok 27979 263: ok 27980 263: ok 27981 263: ok 27982 263: ok 27983 263: ok 27984 263: ok 27985 263: ok 27986 263: ok 27987 263: ok 27988 263: ok 27989 263: ok 27990 263: ok 27991 263: ok 27992 263: ok 27993 263: ok 27994 263: ok 27995 263: ok 27996 263: ok 27997 263: ok 27998 263: ok 27999 263: ok 28000 263: ok 28001 263: ok 28002 263: ok 28003 263: ok 28004 263: ok 28005 263: ok 28006 263: ok 28007 263: ok 28008 263: ok 28009 263: ok 28010 263: ok 28011 263: ok 28012 263: ok 28013 263: ok 28014 263: ok 28015 263: ok 28016 263: ok 28017 263: ok 28018 263: ok 28019 263: ok 28020 263: ok 28021 263: ok 28022 263: ok 28023 263: ok 28024 263: ok 28025 263: ok 28026 263: ok 28027 263: ok 28028 263: ok 28029 263: ok 28030 263: ok 28031 263: ok 28032 263: ok 28033 263: ok 28034 263: ok 28035 263: ok 28036 263: ok 28037 263: ok 28038 263: ok 28039 263: ok 28040 263: ok 28041 263: ok 28042 263: ok 28043 263: ok 28044 263: ok 28045 263: ok 28046 263: ok 28047 263: ok 28048 263: ok 28049 263: ok 28050 263: ok 28051 263: ok 28052 263: ok 28053 263: ok 28054 263: ok 28055 263: ok 28056 263: ok 28057 263: ok 28058 263: ok 28059 263: ok 28060 263: ok 28061 263: ok 28062 263: ok 28063 263: ok 28064 263: ok 28065 263: ok 28066 263: ok 28067 263: ok 28068 263: ok 28069 263: ok 28070 263: ok 28071 263: ok 28072 263: ok 28073 263: ok 28074 263: ok 28075 263: ok 28076 263: ok 28077 263: ok 28078 263: ok 28079 263: ok 28080 263: ok 28081 263: ok 28082 263: ok 28083 263: ok 28084 263: ok 28085 263: ok 28086 263: ok 28087 263: ok 28088 263: ok 28089 263: ok 28090 263: ok 28091 263: ok 28092 263: ok 28093 263: ok 28094 263: ok 28095 263: ok 28096 263: ok 28097 263: ok 28098 263: ok 28099 263: ok 28100 263: ok 28101 263: ok 28102 263: ok 28103 263: ok 28104 263: ok 28105 263: ok 28106 263: ok 28107 263: ok 28108 263: ok 28109 263: ok 28110 263: ok 28111 263: ok 28112 263: ok 28113 263: ok 28114 263: ok 28115 263: ok 28116 263: ok 28117 263: ok 28118 263: ok 28119 263: ok 28120 263: ok 28121 263: ok 28122 263: ok 28123 263: ok 28124 263: ok 28125 263: ok 28126 263: ok 28127 263: ok 28128 263: ok 28129 263: ok 28130 263: ok 28131 263: ok 28132 263: ok 28133 263: ok 28134 263: ok 28135 263: ok 28136 263: ok 28137 263: ok 28138 263: ok 28139 263: ok 28140 263: ok 28141 263: ok 28142 263: ok 28143 263: ok 28144 263: ok 28145 263: ok 28146 263: ok 28147 263: ok 28148 263: ok 28149 263: ok 28150 263: ok 28151 263: ok 28152 263: ok 28153 263: ok 28154 263: ok 28155 263: ok 28156 263: ok 28157 263: ok 28158 263: ok 28159 263: ok 28160 263: ok 28161 263: ok 28162 263: ok 28163 263: ok 28164 263: ok 28165 263: ok 28166 263: ok 28167 263: ok 28168 263: ok 28169 263: ok 28170 263: ok 28171 263: ok 28172 263: ok 28173 263: ok 28174 263: ok 28175 263: ok 28176 263: ok 28177 263: ok 28178 263: ok 28179 263: ok 28180 263: ok 28181 263: ok 28182 263: ok 28183 263: ok 28184 263: ok 28185 263: ok 28186 263: ok 28187 263: ok 28188 263: ok 28189 263: ok 28190 263: ok 28191 263: ok 28192 263: ok 28193 263: ok 28194 263: ok 28195 263: ok 28196 263: ok 28197 263: ok 28198 263: ok 28199 263: ok 28200 263: ok 28201 263: ok 28202 263: ok 28203 263: ok 28204 263: ok 28205 263: ok 28206 263: ok 28207 263: ok 28208 263: ok 28209 263: ok 28210 263: ok 28211 263: ok 28212 263: ok 28213 263: ok 28214 263: ok 28215 263: ok 28216 263: ok 28217 263: ok 28218 263: ok 28219 263: ok 28220 263: ok 28221 263: ok 28222 263: ok 28223 263: ok 28224 263: ok 28225 263: ok 28226 263: ok 28227 263: ok 28228 263: ok 28229 263: ok 28230 263: ok 28231 263: ok 28232 263: ok 28233 263: ok 28234 263: ok 28235 263: ok 28236 263: ok 28237 263: ok 28238 263: ok 28239 263: ok 28240 263: ok 28241 263: ok 28242 263: ok 28243 263: ok 28244 263: ok 28245 263: ok 28246 263: ok 28247 263: ok 28248 263: ok 28249 263: ok 28250 263: ok 28251 263: ok 28252 263: ok 28253 263: ok 28254 263: ok 28255 263: ok 28256 263: ok 28257 263: ok 28258 263: ok 28259 263: ok 28260 263: ok 28261 263: ok 28262 263: ok 28263 263: ok 28264 263: ok 28265 263: ok 28266 263: ok 28267 263: ok 28268 263: ok 28269 263: ok 28270 263: ok 28271 263: ok 28272 263: ok 28273 263: ok 28274 263: ok 28275 263: ok 28276 263: ok 28277 263: ok 28278 263: ok 28279 263: ok 28280 263: ok 28281 263: ok 28282 263: ok 28283 263: ok 28284 263: ok 28285 263: ok 28286 263: ok 28287 263: ok 28288 263: ok 28289 263: ok 28290 263: ok 28291 263: ok 28292 263: ok 28293 263: ok 28294 263: ok 28295 263: ok 28296 263: ok 28297 263: ok 28298 263: ok 28299 263: ok 28300 263: ok 28301 263: ok 28302 263: ok 28303 263: ok 28304 263: ok 28305 263: ok 28306 263: ok 28307 263: ok 28308 263: ok 28309 263: ok 28310 263: ok 28311 263: ok 28312 263: ok 28313 263: ok 28314 263: ok 28315 263: ok 28316 263: ok 28317 263: ok 28318 263: ok 28319 263: ok 28320 263: ok 28321 263: ok 28322 263: ok 28323 263: ok 28324 263: ok 28325 263: ok 28326 263: ok 28327 263: ok 28328 263: ok 28329 263: ok 28330 263: ok 28331 263: ok 28332 263: ok 28333 263: ok 28334 263: ok 28335 263: ok 28336 263: ok 28337 263: ok 28338 263: ok 28339 263: ok 28340 263: ok 28341 263: ok 28342 263: ok 28343 263: ok 28344 263: ok 28345 263: ok 28346 263: ok 28347 263: ok 28348 263: ok 28349 263: ok 28350 263: ok 28351 263: ok 28352 263: ok 28353 263: ok 28354 263: ok 28355 263: ok 28356 263: ok 28357 263: ok 28358 263: ok 28359 263: ok 28360 263: ok 28361 263: ok 28362 263: ok 28363 263: ok 28364 263: ok 28365 263: ok 28366 263: ok 28367 263: ok 28368 263: ok 28369 263: ok 28370 263: ok 28371 263: ok 28372 263: ok 28373 263: ok 28374 263: ok 28375 263: ok 28376 263: ok 28377 263: ok 28378 263: ok 28379 263: ok 28380 263: ok 28381 263: ok 28382 263: ok 28383 263: ok 28384 263: ok 28385 263: ok 28386 263: ok 28387 263: ok 28388 263: ok 28389 263: ok 28390 263: ok 28391 263: ok 28392 263: ok 28393 263: ok 28394 263: ok 28395 263: ok 28396 263: ok 28397 263: ok 28398 263: ok 28399 263: ok 28400 263: ok 28401 263: ok 28402 263: ok 28403 263: ok 28404 263: ok 28405 263: ok 28406 263: ok 28407 263: ok 28408 263: ok 28409 263: ok 28410 263: ok 28411 263: ok 28412 263: ok 28413 263: ok 28414 263: ok 28415 263: ok 28416 263: ok 28417 263: ok 28418 263: ok 28419 263: ok 28420 263: ok 28421 263: ok 28422 263: ok 28423 263: ok 28424 263: ok 28425 263: ok 28426 263: ok 28427 263: ok 28428 263: ok 28429 263: ok 28430 263: ok 28431 263: ok 28432 263: ok 28433 263: ok 28434 263: ok 28435 263: ok 28436 263: ok 28437 263: ok 28438 263: ok 28439 263: ok 28440 263: ok 28441 263: ok 28442 263: ok 28443 263: ok 28444 263: ok 28445 263: ok 28446 263: ok 28447 263: ok 28448 263: ok 28449 263: ok 28450 263: ok 28451 263: ok 28452 263: ok 28453 263: ok 28454 263: ok 28455 263: ok 28456 263: ok 28457 263: ok 28458 263: ok 28459 263: ok 28460 263: ok 28461 263: ok 28462 263: ok 28463 263: ok 28464 263: ok 28465 263: ok 28466 263: ok 28467 263: ok 28468 263: ok 28469 263: ok 28470 263: ok 28471 263: ok 28472 263: ok 28473 263: ok 28474 263: ok 28475 263: ok 28476 263: ok 28477 263: ok 28478 263: ok 28479 263: ok 28480 263: ok 28481 263: ok 28482 263: ok 28483 263: ok 28484 263: ok 28485 263: ok 28486 263: ok 28487 263: ok 28488 263: ok 28489 263: ok 28490 263: ok 28491 263: ok 28492 263: ok 28493 263: ok 28494 263: ok 28495 263: ok 28496 263: ok 28497 263: ok 28498 263: ok 28499 263: ok 28500 263: ok 28501 263: ok 28502 263: ok 28503 263: ok 28504 263: ok 28505 263: ok 28506 263: ok 28507 263: ok 28508 263: ok 28509 263: ok 28510 263: ok 28511 263: ok 28512 263: ok 28513 263: ok 28514 263: ok 28515 263: ok 28516 263: ok 28517 263: ok 28518 263: ok 28519 263: ok 28520 263: ok 28521 263: ok 28522 263: ok 28523 263: ok 28524 263: ok 28525 263: ok 28526 263: ok 28527 263: ok 28528 263: ok 28529 263: ok 28530 263: ok 28531 263: ok 28532 263: ok 28533 263: ok 28534 263: ok 28535 263: ok 28536 263: ok 28537 263: ok 28538 263: ok 28539 263: ok 28540 263: ok 28541 263: ok 28542 263: ok 28543 263: ok 28544 263: ok 28545 263: ok 28546 263: ok 28547 263: ok 28548 263: ok 28549 263: ok 28550 263: ok 28551 263: ok 28552 263: ok 28553 263: ok 28554 263: ok 28555 263: ok 28556 263: ok 28557 263: ok 28558 263: ok 28559 263: ok 28560 263: ok 28561 263: ok 28562 263: ok 28563 263: ok 28564 263: ok 28565 263: ok 28566 263: ok 28567 263: ok 28568 263: ok 28569 263: ok 28570 263: ok 28571 263: ok 28572 263: ok 28573 263: ok 28574 263: ok 28575 263: ok 28576 263: ok 28577 263: ok 28578 263: ok 28579 263: ok 28580 263: ok 28581 263: ok 28582 263: ok 28583 263: ok 28584 263: ok 28585 263: ok 28586 263: ok 28587 263: ok 28588 263: ok 28589 263: ok 28590 263: ok 28591 263: ok 28592 263: ok 28593 263: ok 28594 263: ok 28595 263: ok 28596 263: ok 28597 263: ok 28598 263: ok 28599 263: ok 28600 263: ok 28601 263: ok 28602 263: ok 28603 263: ok 28604 263: ok 28605 263: ok 28606 263: ok 28607 263: ok 28608 263: ok 28609 263: ok 28610 263: ok 28611 263: ok 28612 263: ok 28613 263: ok 28614 263: ok 28615 263: ok 28616 263: ok 28617 263: ok 28618 263: ok 28619 263: ok 28620 263: ok 28621 263: ok 28622 263: ok 28623 263: ok 28624 263: ok 28625 263: ok 28626 263: ok 28627 263: ok 28628 263: ok 28629 263: ok 28630 263: ok 28631 263: ok 28632 263: ok 28633 263: ok 28634 263: ok 28635 263: ok 28636 263: ok 28637 263: ok 28638 263: ok 28639 263: ok 28640 263: ok 28641 263: ok 28642 263: ok 28643 263: ok 28644 263: ok 28645 263: ok 28646 263: ok 28647 263: ok 28648 263: ok 28649 263: ok 28650 263: ok 28651 263: ok 28652 263: ok 28653 263: ok 28654 263: ok 28655 263: ok 28656 263: ok 28657 263: ok 28658 263: ok 28659 263: ok 28660 263: ok 28661 263: ok 28662 263: ok 28663 263: ok 28664 263: ok 28665 263: ok 28666 263: ok 28667 263: ok 28668 263: ok 28669 263: ok 28670 263: ok 28671 263: ok 28672 263: ok 28673 263: ok 28674 263: ok 28675 263: ok 28676 263: ok 28677 263: ok 28678 263: ok 28679 263: ok 28680 263: ok 28681 263: ok 28682 263: ok 28683 263: ok 28684 263: ok 28685 263: ok 28686 263: ok 28687 263: ok 28688 263: ok 28689 263: ok 28690 263: ok 28691 263: ok 28692 263: ok 28693 263: ok 28694 263: ok 28695 263: ok 28696 263: ok 28697 263: ok 28698 263: ok 28699 263: ok 28700 263: ok 28701 263: ok 28702 263: ok 28703 263: ok 28704 263: ok 28705 263: ok 28706 263: ok 28707 263: ok 28708 263: ok 28709 263: ok 28710 263: ok 28711 263: ok 28712 263: ok 28713 263: ok 28714 263: ok 28715 263: ok 28716 263: ok 28717 263: ok 28718 263: ok 28719 263: ok 28720 263: ok 28721 263: ok 28722 263: ok 28723 263: ok 28724 263: ok 28725 263: ok 28726 263: ok 28727 263: ok 28728 263: ok 28729 263: ok 28730 263: ok 28731 263: ok 28732 263: ok 28733 263: ok 28734 263: ok 28735 263: ok 28736 263: ok 28737 263: ok 28738 263: ok 28739 263: ok 28740 263: ok 28741 263: ok 28742 263: ok 28743 263: ok 28744 263: ok 28745 263: ok 28746 263: ok 28747 263: ok 28748 263: ok 28749 263: ok 28750 263: ok 28751 263: ok 28752 263: ok 28753 263: ok 28754 263: ok 28755 263: ok 28756 263: ok 28757 263: ok 28758 263: ok 28759 263: ok 28760 263: ok 28761 263: ok 28762 263: ok 28763 263: ok 28764 263: ok 28765 263: ok 28766 263: ok 28767 263: ok 28768 263: ok 28769 263: ok 28770 263: ok 28771 263: ok 28772 263: ok 28773 263: ok 28774 263: ok 28775 263: ok 28776 263: ok 28777 263: ok 28778 263: ok 28779 263: ok 28780 263: ok 28781 263: ok 28782 263: ok 28783 263: ok 28784 263: ok 28785 263: ok 28786 263: ok 28787 263: ok 28788 263: ok 28789 263: ok 28790 263: ok 28791 263: ok 28792 263: ok 28793 263: ok 28794 263: ok 28795 263: ok 28796 263: ok 28797 263: ok 28798 263: ok 28799 263: ok 28800 263: ok 28801 263: ok 28802 263: ok 28803 263: ok 28804 263: ok 28805 263: ok 28806 263: ok 28807 263: ok 28808 263: ok 28809 263: ok 28810 263: ok 28811 263: ok 28812 263: ok 28813 263: ok 28814 263: ok 28815 263: ok 28816 263: ok 28817 263: ok 28818 263: ok 28819 263: ok 28820 263: ok 28821 263: ok 28822 263: ok 28823 263: ok 28824 263: ok 28825 263: ok 28826 263: ok 28827 263: ok 28828 263: ok 28829 263: ok 28830 263: ok 28831 263: ok 28832 263: ok 28833 263: ok 28834 263: ok 28835 263: ok 28836 263: ok 28837 263: ok 28838 263: ok 28839 263: ok 28840 263: ok 28841 263: ok 28842 263: ok 28843 263: ok 28844 263: ok 28845 263: ok 28846 263: ok 28847 263: ok 28848 263: ok 28849 263: ok 28850 263: ok 28851 263: ok 28852 263: ok 28853 263: ok 28854 263: ok 28855 263: ok 28856 263: ok 28857 263: ok 28858 263: ok 28859 263: ok 28860 263: ok 28861 263: ok 28862 263: ok 28863 263: ok 28864 263: ok 28865 263: ok 28866 263: ok 28867 263: ok 28868 263: ok 28869 263: ok 28870 263: ok 28871 263: ok 28872 263: ok 28873 263: ok 28874 263: ok 28875 263: ok 28876 263: ok 28877 263: ok 28878 263: ok 28879 263: ok 28880 263: ok 28881 263: ok 28882 263: ok 28883 263: ok 28884 263: ok 28885 263: ok 28886 263: ok 28887 263: ok 28888 263: ok 28889 263: ok 28890 263: ok 28891 263: ok 28892 263: ok 28893 263: ok 28894 263: ok 28895 263: ok 28896 263: ok 28897 263: ok 28898 263: ok 28899 263: ok 28900 263: ok 28901 263: ok 28902 263: ok 28903 263: ok 28904 263: ok 28905 263: ok 28906 263: ok 28907 263: ok 28908 263: ok 28909 263: ok 28910 263: ok 28911 263: ok 28912 263: ok 28913 263: ok 28914 263: ok 28915 263: ok 28916 263: ok 28917 263: ok 28918 263: ok 28919 263: ok 28920 263: ok 28921 263: ok 28922 263: ok 28923 263: ok 28924 263: ok 28925 263: ok 28926 263: ok 28927 263: ok 28928 263: ok 28929 263: ok 28930 263: ok 28931 263: ok 28932 263: ok 28933 263: ok 28934 263: ok 28935 263: ok 28936 263: ok 28937 263: ok 28938 263: ok 28939 263: ok 28940 263: ok 28941 263: ok 28942 263: ok 28943 263: ok 28944 263: ok 28945 263: ok 28946 263: ok 28947 263: ok 28948 263: ok 28949 263: ok 28950 263: ok 28951 263: ok 28952 263: ok 28953 263: ok 28954 263: ok 28955 263: ok 28956 263: ok 28957 263: ok 28958 263: ok 28959 263: ok 28960 263: ok 28961 263: ok 28962 263: ok 28963 263: ok 28964 263: ok 28965 263: ok 28966 263: ok 28967 263: ok 28968 263: ok 28969 263: ok 28970 263: ok 28971 263: ok 28972 263: ok 28973 263: ok 28974 263: ok 28975 263: ok 28976 263: ok 28977 263: ok 28978 263: ok 28979 263: ok 28980 263: ok 28981 263: ok 28982 263: ok 28983 263: ok 28984 263: ok 28985 263: ok 28986 263: ok 28987 263: ok 28988 263: ok 28989 263: ok 28990 263: ok 28991 263: ok 28992 263: ok 28993 263: ok 28994 263: ok 28995 263: ok 28996 263: ok 28997 263: ok 28998 263: ok 28999 263: ok 29000 263: ok 29001 263: ok 29002 263: ok 29003 263: ok 29004 263: ok 29005 263: ok 29006 263: ok 29007 263: ok 29008 263: ok 29009 263: ok 29010 263: ok 29011 263: ok 29012 263: ok 29013 263: ok 29014 263: ok 29015 263: ok 29016 263: ok 29017 263: ok 29018 263: ok 29019 263: ok 29020 263: ok 29021 263: ok 29022 263: ok 29023 263: ok 29024 263: ok 29025 263: ok 29026 263: ok 29027 263: ok 29028 263: ok 29029 263: ok 29030 263: ok 29031 263: ok 29032 263: ok 29033 263: ok 29034 263: ok 29035 263: ok 29036 263: ok 29037 263: ok 29038 263: ok 29039 263: ok 29040 263: ok 29041 263: ok 29042 263: ok 29043 263: ok 29044 263: ok 29045 263: ok 29046 263: ok 29047 263: ok 29048 263: ok 29049 263: ok 29050 263: ok 29051 263: ok 29052 263: ok 29053 263: ok 29054 263: ok 29055 263: ok 29056 263: ok 29057 263: ok 29058 263: ok 29059 263: ok 29060 263: ok 29061 263: ok 29062 263: ok 29063 263: ok 29064 263: ok 29065 263: ok 29066 263: ok 29067 263: ok 29068 263: ok 29069 263: ok 29070 263: ok 29071 263: ok 29072 263: ok 29073 263: ok 29074 263: ok 29075 263: ok 29076 263: ok 29077 263: ok 29078 263: ok 29079 263: ok 29080 263: ok 29081 263: ok 29082 263: ok 29083 263: ok 29084 263: ok 29085 263: ok 29086 263: ok 29087 263: ok 29088 263: ok 29089 263: ok 29090 263: ok 29091 263: ok 29092 263: ok 29093 263: ok 29094 263: ok 29095 263: ok 29096 263: ok 29097 263: ok 29098 263: ok 29099 263: ok 29100 263: ok 29101 263: ok 29102 263: ok 29103 263: ok 29104 263: ok 29105 263: ok 29106 263: ok 29107 263: ok 29108 263: ok 29109 263: ok 29110 263: ok 29111 263: ok 29112 263: ok 29113 263: ok 29114 263: ok 29115 263: ok 29116 263: ok 29117 263: ok 29118 263: ok 29119 263: ok 29120 263: ok 29121 263: ok 29122 263: ok 29123 263: ok 29124 263: ok 29125 263: ok 29126 263: ok 29127 263: ok 29128 263: ok 29129 263: ok 29130 263: ok 29131 263: ok 29132 263: ok 29133 263: ok 29134 263: ok 29135 263: ok 29136 263: ok 29137 263: ok 29138 263: ok 29139 263: ok 29140 263: ok 29141 263: ok 29142 263: ok 29143 263: ok 29144 263: ok 29145 263: ok 29146 263: ok 29147 263: ok 29148 263: ok 29149 263: ok 29150 263: ok 29151 263: ok 29152 263: ok 29153 263: ok 29154 263: ok 29155 263: ok 29156 263: ok 29157 263: ok 29158 263: ok 29159 263: ok 29160 263: ok 29161 263: ok 29162 263: ok 29163 263: ok 29164 263: ok 29165 263: ok 29166 263: ok 29167 263: ok 29168 263: ok 29169 263: ok 29170 263: ok 29171 263: ok 29172 263: ok 29173 263: ok 29174 263: ok 29175 263: ok 29176 263: ok 29177 263: ok 29178 263: ok 29179 263: ok 29180 263: ok 29181 263: ok 29182 263: ok 29183 263: ok 29184 263: ok 29185 263: ok 29186 263: ok 29187 263: ok 29188 263: ok 29189 263: ok 29190 263: ok 29191 263: ok 29192 263: ok 29193 263: ok 29194 263: ok 29195 263: ok 29196 263: ok 29197 263: ok 29198 263: ok 29199 263: ok 29200 263: ok 29201 263: ok 29202 263: ok 29203 263: ok 29204 263: ok 29205 263: ok 29206 263: ok 29207 263: ok 29208 263: ok 29209 263: ok 29210 263: ok 29211 263: ok 29212 263: ok 29213 263: ok 29214 263: ok 29215 263: ok 29216 263: ok 29217 263: ok 29218 263: ok 29219 263: ok 29220 263: ok 29221 263: ok 29222 263: ok 29223 263: ok 29224 263: ok 29225 263: ok 29226 263: ok 29227 263: ok 29228 263: ok 29229 263: ok 29230 263: ok 29231 263: ok 29232 263: ok 29233 263: ok 29234 263: ok 29235 263: ok 29236 263: ok 29237 263: ok 29238 263: ok 29239 263: ok 29240 263: ok 29241 263: ok 29242 263: ok 29243 263: ok 29244 263: ok 29245 263: ok 29246 263: ok 29247 263: ok 29248 263: ok 29249 263: ok 29250 263: ok 29251 263: ok 29252 263: ok 29253 263: ok 29254 263: ok 29255 263: ok 29256 263: ok 29257 263: ok 29258 263: ok 29259 263: ok 29260 263: ok 29261 263: ok 29262 263: ok 29263 263: ok 29264 263: ok 29265 263: ok 29266 263: ok 29267 263: ok 29268 263: ok 29269 263: ok 29270 263: ok 29271 263: ok 29272 263: ok 29273 263: ok 29274 263: ok 29275 263: ok 29276 263: ok 29277 263: ok 29278 263: ok 29279 263: ok 29280 263: ok 29281 263: ok 29282 263: ok 29283 263: ok 29284 263: ok 29285 263: ok 29286 263: ok 29287 263: ok 29288 263: ok 29289 263: ok 29290 263: ok 29291 263: ok 29292 263: ok 29293 263: ok 29294 263: ok 29295 263: ok 29296 263: ok 29297 263: ok 29298 263: ok 29299 263: ok 29300 263: ok 29301 263: ok 29302 263: ok 29303 263: ok 29304 263: ok 29305 263: ok 29306 263: ok 29307 263: ok 29308 263: ok 29309 263: ok 29310 263: ok 29311 263: ok 29312 263: ok 29313 263: ok 29314 263: ok 29315 263: ok 29316 263: ok 29317 263: ok 29318 263: ok 29319 263: ok 29320 263: ok 29321 263: ok 29322 263: ok 29323 263: ok 29324 263: ok 29325 263: ok 29326 263: ok 29327 263: ok 29328 263: ok 29329 263: ok 29330 263: ok 29331 263: ok 29332 263: ok 29333 263: ok 29334 263: ok 29335 263: ok 29336 263: ok 29337 263: ok 29338 263: ok 29339 263: ok 29340 263: ok 29341 263: ok 29342 263: ok 29343 263: ok 29344 263: ok 29345 263: ok 29346 263: ok 29347 263: ok 29348 263: ok 29349 263: ok 29350 263: ok 29351 263: ok 29352 263: ok 29353 263: ok 29354 263: ok 29355 263: ok 29356 263: ok 29357 263: ok 29358 263: ok 29359 263: ok 29360 263: ok 29361 263: ok 29362 263: ok 29363 263: ok 29364 263: ok 29365 263: ok 29366 263: ok 29367 263: ok 29368 263: ok 29369 263: ok 29370 263: ok 29371 263: ok 29372 263: ok 29373 263: ok 29374 263: ok 29375 263: ok 29376 263: ok 29377 263: ok 29378 263: ok 29379 263: ok 29380 263: ok 29381 263: ok 29382 263: ok 29383 263: ok 29384 263: ok 29385 263: ok 29386 263: ok 29387 263: ok 29388 263: ok 29389 263: ok 29390 263: ok 29391 263: ok 29392 263: ok 29393 263: ok 29394 263: ok 29395 263: ok 29396 263: ok 29397 263: ok 29398 263: ok 29399 263: ok 29400 263: ok 29401 263: ok 29402 263: ok 29403 263: ok 29404 263: ok 29405 263: ok 29406 263: ok 29407 263: ok 29408 263: ok 29409 263: ok 29410 263: ok 29411 263: ok 29412 263: ok 29413 263: ok 29414 263: ok 29415 263: ok 29416 263: ok 29417 263: ok 29418 263: ok 29419 263: ok 29420 263: ok 29421 263: ok 29422 263: ok 29423 263: ok 29424 263: ok 29425 263: ok 29426 263: ok 29427 263: ok 29428 263: ok 29429 263: ok 29430 263: ok 29431 263: ok 29432 263: ok 29433 263: ok 29434 263: ok 29435 263: ok 29436 263: ok 29437 263: ok 29438 263: ok 29439 263: ok 29440 263: ok 29441 263: ok 29442 263: ok 29443 263: ok 29444 263: ok 29445 263: ok 29446 263: ok 29447 263: ok 29448 263: ok 29449 263: ok 29450 263: ok 29451 263: ok 29452 263: ok 29453 263: ok 29454 263: ok 29455 263: ok 29456 263: ok 29457 263: ok 29458 263: ok 29459 263: ok 29460 263: ok 29461 263: ok 29462 263: ok 29463 263: ok 29464 263: ok 29465 263: ok 29466 263: ok 29467 263: ok 29468 263: ok 29469 263: ok 29470 263: ok 29471 263: ok 29472 263: ok 29473 263: ok 29474 263: ok 29475 263: ok 29476 263: ok 29477 263: ok 29478 263: ok 29479 263: ok 29480 263: ok 29481 263: ok 29482 263: ok 29483 263: ok 29484 263: ok 29485 263: ok 29486 263: ok 29487 263: ok 29488 263: ok 29489 263: ok 29490 263: ok 29491 263: ok 29492 263: ok 29493 263: ok 29494 263: ok 29495 263: ok 29496 263: ok 29497 263: ok 29498 263: ok 29499 263: ok 29500 263: ok 29501 263: ok 29502 263: ok 29503 263: ok 29504 263: ok 29505 263: ok 29506 263: ok 29507 263: ok 29508 263: ok 29509 263: ok 29510 263: ok 29511 263: ok 29512 263: ok 29513 263: ok 29514 263: ok 29515 263: ok 29516 263: ok 29517 263: ok 29518 263: ok 29519 263: ok 29520 263: ok 29521 263: ok 29522 263: ok 29523 263: ok 29524 263: ok 29525 263: ok 29526 263: ok 29527 263: ok 29528 263: ok 29529 263: ok 29530 263: ok 29531 263: ok 29532 263: ok 29533 263: ok 29534 263: ok 29535 263: ok 29536 263: ok 29537 263: ok 29538 263: ok 29539 263: ok 29540 263: ok 29541 263: ok 29542 263: ok 29543 263: ok 29544 263: ok 29545 263: ok 29546 263: ok 29547 263: ok 29548 263: ok 29549 263: ok 29550 263: ok 29551 263: ok 29552 263: ok 29553 263: ok 29554 263: ok 29555 263: ok 29556 263: ok 29557 263: ok 29558 263: ok 29559 263: ok 29560 263: ok 29561 263: ok 29562 263: ok 29563 263: ok 29564 263: ok 29565 263: ok 29566 263: ok 29567 263: ok 29568 263: ok 29569 263: ok 29570 263: ok 29571 263: ok 29572 263: ok 29573 263: ok 29574 263: ok 29575 263: ok 29576 263: ok 29577 263: ok 29578 263: ok 29579 263: ok 29580 263: ok 29581 263: ok 29582 263: ok 29583 263: ok 29584 263: ok 29585 263: ok 29586 263: ok 29587 263: ok 29588 263: ok 29589 263: ok 29590 263: ok 29591 263: ok 29592 263: ok 29593 263: ok 29594 263: ok 29595 263: ok 29596 263: ok 29597 263: ok 29598 263: ok 29599 263: ok 29600 263: ok 29601 263: ok 29602 263: ok 29603 263: ok 29604 263: ok 29605 263: ok 29606 263: ok 29607 263: ok 29608 263: ok 29609 263: ok 29610 263: ok 29611 263: ok 29612 263: ok 29613 263: ok 29614 263: ok 29615 263: ok 29616 263: ok 29617 263: ok 29618 263: ok 29619 263: ok 29620 263: ok 29621 263: ok 29622 263: ok 29623 263: ok 29624 263: ok 29625 263: ok 29626 263: ok 29627 263: ok 29628 263: ok 29629 263: ok 29630 263: ok 29631 263: ok 29632 263: ok 29633 263: ok 29634 263: ok 29635 263: ok 29636 263: ok 29637 263: ok 29638 263: ok 29639 263: ok 29640 263: ok 29641 263: ok 29642 263: ok 29643 263: ok 29644 263: ok 29645 263: ok 29646 263: ok 29647 263: ok 29648 263: ok 29649 263: ok 29650 263: ok 29651 263: ok 29652 263: ok 29653 263: ok 29654 263: ok 29655 263: ok 29656 263: ok 29657 263: ok 29658 263: ok 29659 263: ok 29660 263: ok 29661 263: ok 29662 263: ok 29663 263: ok 29664 263: ok 29665 263: ok 29666 263: ok 29667 263: ok 29668 263: ok 29669 263: ok 29670 263: ok 29671 263: ok 29672 263: ok 29673 263: ok 29674 263: ok 29675 263: ok 29676 263: ok 29677 263: ok 29678 263: ok 29679 263: ok 29680 263: ok 29681 263: ok 29682 263: ok 29683 263: ok 29684 263: ok 29685 263: ok 29686 263: ok 29687 263: ok 29688 263: ok 29689 263: ok 29690 263: ok 29691 263: ok 29692 263: ok 29693 263: ok 29694 263: ok 29695 263: ok 29696 263: ok 29697 263: ok 29698 263: ok 29699 263: ok 29700 263: ok 29701 263: ok 29702 263: ok 29703 263: ok 29704 263: ok 29705 263: ok 29706 263: ok 29707 263: ok 29708 263: ok 29709 263: ok 29710 263: ok 29711 263: ok 29712 263: ok 29713 263: ok 29714 263: ok 29715 263: ok 29716 263: ok 29717 263: ok 29718 263: ok 29719 263: ok 29720 263: ok 29721 263: ok 29722 263: ok 29723 263: ok 29724 263: ok 29725 263: ok 29726 263: ok 29727 263: ok 29728 263: ok 29729 263: ok 29730 263: ok 29731 263: ok 29732 263: ok 29733 263: ok 29734 263: ok 29735 263: ok 29736 263: ok 29737 263: ok 29738 263: ok 29739 263: ok 29740 263: ok 29741 263: ok 29742 263: ok 29743 263: ok 29744 263: ok 29745 263: ok 29746 263: ok 29747 263: ok 29748 263: ok 29749 263: ok 29750 263: ok 29751 263: ok 29752 263: ok 29753 263: ok 29754 263: ok 29755 263: ok 29756 263: ok 29757 263: ok 29758 263: ok 29759 263: ok 29760 263: ok 29761 263: ok 29762 263: ok 29763 263: ok 29764 263: ok 29765 263: ok 29766 263: ok 29767 263: ok 29768 263: ok 29769 263: ok 29770 263: ok 29771 263: ok 29772 263: ok 29773 263: ok 29774 263: ok 29775 263: ok 29776 263: ok 29777 263: ok 29778 263: ok 29779 263: ok 29780 263: ok 29781 263: ok 29782 263: ok 29783 263: ok 29784 263: ok 29785 263: ok 29786 263: ok 29787 263: ok 29788 263: ok 29789 263: ok 29790 263: ok 29791 263: ok 29792 263: ok 29793 263: ok 29794 263: ok 29795 263: ok 29796 263: ok 29797 263: ok 29798 263: ok 29799 263: ok 29800 263: ok 29801 263: ok 29802 263: ok 29803 263: ok 29804 263: ok 29805 263: ok 29806 263: ok 29807 263: ok 29808 263: ok 29809 263: ok 29810 263: ok 29811 263: ok 29812 263: ok 29813 263: ok 29814 263: ok 29815 263: ok 29816 263: ok 29817 263: ok 29818 263: ok 29819 263: ok 29820 263: ok 29821 263: ok 29822 263: ok 29823 263: ok 29824 263: ok 29825 263: ok 29826 263: ok 29827 263: ok 29828 263: ok 29829 263: ok 29830 263: ok 29831 263: ok 29832 263: ok 29833 263: ok 29834 263: ok 29835 263: ok 29836 263: ok 29837 263: ok 29838 263: ok 29839 263: ok 29840 263: ok 29841 263: ok 29842 263: ok 29843 263: ok 29844 263: ok 29845 263: ok 29846 263: ok 29847 263: ok 29848 263: ok 29849 263: ok 29850 263: ok 29851 263: ok 29852 263: ok 29853 263: ok 29854 263: ok 29855 263: ok 29856 263: ok 29857 263: ok 29858 263: ok 29859 263: ok 29860 263: ok 29861 263: ok 29862 263: ok 29863 263: ok 29864 263: ok 29865 263: ok 29866 263: ok 29867 263: ok 29868 263: ok 29869 263: ok 29870 263: ok 29871 263: ok 29872 263: ok 29873 263: ok 29874 263: ok 29875 263: ok 29876 263: ok 29877 263: ok 29878 263: ok 29879 263: ok 29880 263: ok 29881 263: ok 29882 263: ok 29883 263: ok 29884 263: ok 29885 263: ok 29886 263: ok 29887 263: ok 29888 263: ok 29889 263: ok 29890 263: ok 29891 263: ok 29892 263: ok 29893 263: ok 29894 263: ok 29895 263: ok 29896 263: ok 29897 263: ok 29898 263: ok 29899 263: ok 29900 263: ok 29901 263: ok 29902 263: ok 29903 263: ok 29904 263: ok 29905 263: ok 29906 263: ok 29907 263: ok 29908 263: ok 29909 263: ok 29910 263: ok 29911 263: ok 29912 263: ok 29913 263: ok 29914 263: ok 29915 263: ok 29916 263: ok 29917 263: ok 29918 263: ok 29919 263: ok 29920 263: ok 29921 263: ok 29922 263: ok 29923 263: ok 29924 263: ok 29925 263: ok 29926 263: ok 29927 263: ok 29928 263: ok 29929 263: ok 29930 263: ok 29931 263: ok 29932 263: ok 29933 263: ok 29934 263: ok 29935 263: ok 29936 263: ok 29937 263: ok 29938 263: ok 29939 263: ok 29940 263: ok 29941 263: ok 29942 263: ok 29943 263: ok 29944 263: ok 29945 263: ok 29946 263: ok 29947 263: ok 29948 263: ok 29949 263: ok 29950 263: ok 29951 263: ok 29952 263: ok 29953 263: ok 29954 263: ok 29955 263: ok 29956 263: ok 29957 263: ok 29958 263: ok 29959 263: ok 29960 263: ok 29961 263: ok 29962 263: ok 29963 263: ok 29964 263: ok 29965 263: ok 29966 263: ok 29967 263: ok 29968 263: ok 29969 263: ok 29970 263: ok 29971 263: ok 29972 263: ok 29973 263: ok 29974 263: ok 29975 263: ok 29976 263: ok 29977 263: ok 29978 263: ok 29979 263: ok 29980 263: ok 29981 263: ok 29982 263: ok 29983 263: ok 29984 263: ok 29985 263: ok 29986 263: ok 29987 263: ok 29988 263: ok 29989 263: ok 29990 263: ok 29991 263: ok 29992 263: ok 29993 263: ok 29994 263: ok 29995 263: ok 29996 263: ok 29997 263: ok 29998 263: ok 29999 263: ok 30000 263: ok 30001 263: ok 30002 263: ok 30003 263: ok 30004 263: ok 30005 263: ok 30006 263: ok 30007 263: ok 30008 263: ok 30009 263: ok 30010 263: ok 30011 263: ok 30012 263: ok 30013 263: ok 30014 263: ok 30015 263: ok 30016 263: ok 30017 263: ok 30018 263: ok 30019 263: ok 30020 263: ok 30021 263: ok 30022 263: ok 30023 263: ok 30024 263: ok 30025 263: ok 30026 263: ok 30027 263: ok 30028 263: ok 30029 263: ok 30030 263: ok 30031 263: ok 30032 263: ok 30033 263: ok 30034 263: ok 30035 263: ok 30036 263: ok 30037 263: ok 30038 263: ok 30039 263: ok 30040 263: ok 30041 263: ok 30042 263: ok 30043 263: ok 30044 263: ok 30045 263: ok 30046 263: ok 30047 263: ok 30048 263: ok 30049 263: ok 30050 263: ok 30051 263: ok 30052 263: ok 30053 263: ok 30054 263: ok 30055 263: ok 30056 263: ok 30057 263: ok 30058 263: ok 30059 263: ok 30060 263: ok 30061 263: ok 30062 263: ok 30063 263: ok 30064 263: ok 30065 263: ok 30066 263: ok 30067 263: ok 30068 263: ok 30069 263: ok 30070 263: ok 30071 263: ok 30072 263: ok 30073 263: ok 30074 263: ok 30075 263: ok 30076 263: ok 30077 263: ok 30078 263: ok 30079 263: ok 30080 263: ok 30081 263: ok 30082 263: ok 30083 263: ok 30084 263: ok 30085 263: ok 30086 263: ok 30087 263: ok 30088 263: ok 30089 263: ok 30090 263: ok 30091 263: ok 30092 263: ok 30093 263: ok 30094 263: ok 30095 263: ok 30096 263: ok 30097 263: ok 30098 263: ok 30099 263: ok 30100 263: ok 30101 263: ok 30102 263: ok 30103 263: ok 30104 263: ok 30105 263: ok 30106 263: ok 30107 263: ok 30108 263: ok 30109 263: ok 30110 263: ok 30111 263: ok 30112 263: ok 30113 263: ok 30114 263: ok 30115 263: ok 30116 263: ok 30117 263: ok 30118 263: ok 30119 263: ok 30120 263: ok 30121 263: ok 30122 263: ok 30123 263: ok 30124 263: ok 30125 263: ok 30126 263: ok 30127 263: ok 30128 263: ok 30129 263: ok 30130 263: ok 30131 263: ok 30132 263: ok 30133 263: ok 30134 263: ok 30135 263: ok 30136 263: ok 30137 263: ok 30138 263: ok 30139 263: ok 30140 263: ok 30141 263: ok 30142 263: ok 30143 263: ok 30144 263: ok 30145 263: ok 30146 263: ok 30147 263: ok 30148 263: ok 30149 263: ok 30150 263: ok 30151 263: ok 30152 263: ok 30153 263: ok 30154 263: ok 30155 263: ok 30156 263: ok 30157 263: ok 30158 263: ok 30159 263: ok 30160 263: ok 30161 263: ok 30162 263: ok 30163 263: ok 30164 263: ok 30165 263: ok 30166 263: ok 30167 263: ok 30168 263: ok 30169 263: ok 30170 263: ok 30171 263: ok 30172 263: ok 30173 263: ok 30174 263: ok 30175 263: ok 30176 263: ok 30177 263: ok 30178 263: ok 30179 263: ok 30180 263: ok 30181 263: ok 30182 263: ok 30183 263: ok 30184 263: ok 30185 263: ok 30186 263: ok 30187 263: ok 30188 263: ok 30189 263: ok 30190 263: ok 30191 263: ok 30192 263: ok 30193 263: ok 30194 263: ok 30195 263: ok 30196 263: ok 30197 263: ok 30198 263: ok 30199 263: ok 30200 263: ok 30201 263: ok 30202 263: ok 30203 263: ok 30204 263: ok 30205 263: ok 30206 263: ok 30207 263: ok 30208 263: ok 30209 263: ok 30210 263: ok 30211 263: ok 30212 263: ok 30213 263: ok 30214 263: ok 30215 263: ok 30216 263: ok 30217 263: ok 30218 263: ok 30219 263: ok 30220 263: ok 30221 263: ok 30222 263: ok 30223 263: ok 30224 263: ok 30225 263: ok 30226 263: ok 30227 263: ok 30228 263: ok 30229 263: ok 30230 263: ok 30231 263: ok 30232 263: ok 30233 263: ok 30234 263: ok 30235 263: ok 30236 263: ok 30237 263: ok 30238 263: ok 30239 263: ok 30240 263: ok 30241 263: ok 30242 263: ok 30243 263: ok 30244 263: ok 30245 263: ok 30246 263: ok 30247 263: ok 30248 263: ok 30249 263: ok 30250 263: ok 30251 263: ok 30252 263: ok 30253 263: ok 30254 263: ok 30255 263: ok 30256 263: ok 30257 263: ok 30258 263: ok 30259 263: ok 30260 263: ok 30261 263: ok 30262 263: ok 30263 263: ok 30264 263: ok 30265 263: ok 30266 263: ok 30267 263: ok 30268 263: ok 30269 263: ok 30270 263: ok 30271 263: ok 30272 263: ok 30273 263: ok 30274 263: ok 30275 263: ok 30276 263: ok 30277 263: ok 30278 263: ok 30279 263: ok 30280 263: ok 30281 263: ok 30282 263: ok 30283 263: ok 30284 263: ok 30285 263: ok 30286 263: ok 30287 263: ok 30288 263: ok 30289 263: ok 30290 263: ok 30291 263: ok 30292 263: ok 30293 263: ok 30294 263: ok 30295 263: ok 30296 263: ok 30297 263: ok 30298 263: ok 30299 263: ok 30300 263: ok 30301 263: ok 30302 263: ok 30303 263: ok 30304 263: ok 30305 263: ok 30306 263: ok 30307 263: ok 30308 263: ok 30309 263: ok 30310 263: ok 30311 263: ok 30312 263: ok 30313 263: ok 30314 263: ok 30315 263: ok 30316 263: ok 30317 263: ok 30318 263: ok 30319 263: ok 30320 263: ok 30321 263: ok 30322 263: ok 30323 263: ok 30324 263: ok 30325 263: ok 30326 263: ok 30327 263: ok 30328 263: ok 30329 263: ok 30330 263: ok 30331 263: ok 30332 263: ok 30333 263: ok 30334 263: ok 30335 263: ok 30336 263: ok 30337 263: ok 30338 263: ok 30339 263: ok 30340 263: ok 30341 263: ok 30342 263: ok 30343 263: ok 30344 263: ok 30345 263: ok 30346 263: ok 30347 263: ok 30348 263: ok 30349 263: ok 30350 263: ok 30351 263: ok 30352 263: ok 30353 263: ok 30354 263: ok 30355 263: ok 30356 263: ok 30357 263: ok 30358 263: ok 30359 263: ok 30360 263: ok 30361 263: ok 30362 263: ok 30363 263: ok 30364 263: ok 30365 263: ok 30366 263: ok 30367 263: ok 30368 263: ok 30369 263: ok 30370 263: ok 30371 263: ok 30372 263: ok 30373 263: ok 30374 263: ok 30375 263: ok 30376 263: ok 30377 263: ok 30378 263: ok 30379 263: ok 30380 263: ok 30381 263: ok 30382 263: ok 30383 263: ok 30384 263: ok 30385 263: ok 30386 263: ok 30387 263: ok 30388 263: ok 30389 263: ok 30390 263: ok 30391 263: ok 30392 263: ok 30393 263: ok 30394 263: ok 30395 263: ok 30396 263: ok 30397 263: ok 30398 263: ok 30399 263: ok 30400 263: ok 30401 263: ok 30402 263: ok 30403 263: ok 30404 263: ok 30405 263: ok 30406 263: ok 30407 263: ok 30408 263: ok 30409 263: ok 30410 263: ok 30411 263: ok 30412 263: ok 30413 263: ok 30414 263: ok 30415 263: ok 30416 263: ok 30417 263: ok 30418 263: ok 30419 263: ok 30420 263: ok 30421 263: ok 30422 263: ok 30423 263: ok 30424 263: ok 30425 263: ok 30426 263: ok 30427 263: ok 30428 263: ok 30429 263: ok 30430 263: ok 30431 263: ok 30432 263: ok 30433 263: ok 30434 263: ok 30435 263: ok 30436 263: ok 30437 263: ok 30438 263: ok 30439 263: ok 30440 263: ok 30441 263: ok 30442 263: ok 30443 263: ok 30444 263: ok 30445 263: ok 30446 263: ok 30447 263: ok 30448 263: ok 30449 263: ok 30450 263: ok 30451 263: ok 30452 263: ok 30453 263: ok 30454 263: ok 30455 263: ok 30456 263: ok 30457 263: ok 30458 263: ok 30459 263: ok 30460 263: ok 30461 263: ok 30462 263: ok 30463 263: ok 30464 263: ok 30465 263: ok 30466 263: ok 30467 263: ok 30468 263: ok 30469 263: ok 30470 263: ok 30471 263: ok 30472 263: ok 30473 263: ok 30474 263: ok 30475 263: ok 30476 263: ok 30477 263: ok 30478 263: ok 30479 263: ok 30480 263: ok 30481 263: ok 30482 263: ok 30483 263: ok 30484 263: ok 30485 263: ok 30486 263: ok 30487 263: ok 30488 263: ok 30489 263: ok 30490 263: ok 30491 263: ok 30492 263: ok 30493 263: ok 30494 263: ok 30495 263: ok 30496 263: ok 30497 263: ok 30498 263: ok 30499 263: ok 30500 263: ok 30501 263: ok 30502 263: ok 30503 263: ok 30504 263: ok 30505 263: ok 30506 263: ok 30507 263: ok 30508 263: ok 30509 263: ok 30510 263: ok 30511 263: ok 30512 263: ok 30513 263: ok 30514 263: ok 30515 263: ok 30516 263: ok 30517 263: ok 30518 263: ok 30519 263: ok 30520 263: ok 30521 263: ok 30522 263: ok 30523 263: ok 30524 263: ok 30525 263: ok 30526 263: ok 30527 263: ok 30528 263: ok 30529 263: ok 30530 263: ok 30531 263: ok 30532 263: ok 30533 263: ok 30534 263: ok 30535 263: ok 30536 263: ok 30537 263: ok 30538 263: ok 30539 263: ok 30540 263: ok 30541 263: ok 30542 263: ok 30543 263: ok 30544 263: ok 30545 263: ok 30546 263: ok 30547 263: ok 30548 263: ok 30549 263: ok 30550 263: ok 30551 263: ok 30552 263: ok 30553 263: ok 30554 263: ok 30555 263: ok 30556 263: ok 30557 263: ok 30558 263: ok 30559 263: ok 30560 263: ok 30561 263: ok 30562 263: ok 30563 263: ok 30564 263: ok 30565 263: ok 30566 263: ok 30567 263: ok 30568 263: ok 30569 263: ok 30570 263: ok 30571 263: ok 30572 263: ok 30573 263: ok 30574 263: ok 30575 263: ok 30576 263: ok 30577 263: ok 30578 263: ok 30579 263: ok 30580 263: ok 30581 263: ok 30582 263: ok 30583 263: ok 30584 263: ok 30585 263: ok 30586 263: ok 30587 263: ok 30588 263: ok 30589 263: ok 30590 263: ok 30591 263: ok 30592 263: ok 30593 263: ok 30594 263: ok 30595 263: ok 30596 263: ok 30597 263: ok 30598 263: ok 30599 263: ok 30600 263: ok 30601 263: ok 30602 263: ok 30603 263: ok 30604 263: ok 30605 263: ok 30606 263: ok 30607 263: ok 30608 263: ok 30609 263: ok 30610 263: ok 30611 263: ok 30612 263: ok 30613 263: ok 30614 263: ok 30615 263: ok 30616 263: ok 30617 263: ok 30618 263: ok 30619 263: ok 30620 263: ok 30621 263: ok 30622 263: ok 30623 263: ok 30624 263: ok 30625 263: ok 30626 263: ok 30627 263: ok 30628 263: ok 30629 263: ok 30630 263: ok 30631 263: ok 30632 263: ok 30633 263: ok 30634 263: ok 30635 263: ok 30636 263: ok 30637 263: ok 30638 263: ok 30639 263: ok 30640 263: ok 30641 263: ok 30642 263: ok 30643 263: ok 30644 263: ok 30645 263: ok 30646 263: ok 30647 263: ok 30648 263: ok 30649 263: ok 30650 263: ok 30651 263: ok 30652 263: ok 30653 263: ok 30654 263: ok 30655 263: ok 30656 263: ok 30657 263: ok 30658 263: ok 30659 263: ok 30660 263: ok 30661 263: ok 30662 263: ok 30663 263: ok 30664 263: ok 30665 263: ok 30666 263: ok 30667 263: ok 30668 263: ok 30669 263: ok 30670 263: ok 30671 263: ok 30672 263: ok 30673 263: ok 30674 263: ok 30675 263: ok 30676 263: ok 30677 263: ok 30678 263: ok 30679 263: ok 30680 263: ok 30681 263: ok 30682 263: ok 30683 263: ok 30684 263: ok 30685 263: ok 30686 263: ok 30687 263: ok 30688 263: ok 30689 263: ok 30690 263: ok 30691 263: ok 30692 263: ok 30693 263: ok 30694 263: ok 30695 263: ok 30696 263: ok 30697 263: ok 30698 263: ok 30699 263: ok 30700 263: ok 30701 263: ok 30702 263: ok 30703 263: ok 30704 263: ok 30705 263: ok 30706 263: ok 30707 263: ok 30708 263: ok 30709 263: ok 30710 263: ok 30711 263: ok 30712 263: ok 30713 263: ok 30714 263: ok 30715 263: ok 30716 263: ok 30717 263: ok 30718 263: ok 30719 263: ok 30720 263: ok 30721 263: ok 30722 263: ok 30723 263: ok 30724 263: ok 30725 263: ok 30726 263: ok 30727 263: ok 30728 263: ok 30729 263: ok 30730 263: ok 30731 263: ok 30732 263: ok 30733 263: ok 30734 263: ok 30735 263: ok 30736 263: ok 30737 263: ok 30738 263: ok 30739 263: ok 30740 263: ok 30741 263: ok 30742 263: ok 30743 263: ok 30744 263: ok 30745 263: ok 30746 263: ok 30747 263: ok 30748 263: ok 30749 263: ok 30750 263: ok 30751 263: ok 30752 263: ok 30753 263: ok 30754 263: ok 30755 263: ok 30756 263: ok 30757 263: ok 30758 263: ok 30759 263: ok 30760 263: ok 30761 263: ok 30762 263: ok 30763 263: ok 30764 263: ok 30765 263: ok 30766 263: ok 30767 263: ok 30768 263: ok 30769 263: ok 30770 263: ok 30771 263: ok 30772 263: ok 30773 263: ok 30774 263: ok 30775 263: ok 30776 263: ok 30777 263: ok 30778 263: ok 30779 263: ok 30780 263: ok 30781 263: ok 30782 263: ok 30783 263: ok 30784 263: ok 30785 263: ok 30786 263: ok 30787 263: ok 30788 263: ok 30789 263: ok 30790 263: ok 30791 263: ok 30792 263: ok 30793 263: ok 30794 263: ok 30795 263: ok 30796 263: ok 30797 263: ok 30798 263: ok 30799 263: ok 30800 263: ok 30801 263: ok 30802 263: ok 30803 263: ok 30804 263: ok 30805 263: ok 30806 263: ok 30807 263: ok 30808 263: ok 30809 263: ok 30810 263: ok 30811 263: ok 30812 263: ok 30813 263: ok 30814 263: ok 30815 263: ok 30816 263: ok 30817 263: ok 30818 263: ok 30819 263: ok 30820 263: ok 30821 263: ok 30822 263: ok 30823 263: ok 30824 263: ok 30825 263: ok 30826 263: ok 30827 263: ok 30828 263: ok 30829 263: ok 30830 263: ok 30831 263: ok 30832 263: ok 30833 263: ok 30834 263: ok 30835 263: ok 30836 263: ok 30837 263: ok 30838 263: ok 30839 263: ok 30840 263: ok 30841 263: ok 30842 263: ok 30843 263: ok 30844 263: ok 30845 263: ok 30846 263: ok 30847 263: ok 30848 263: ok 30849 263: ok 30850 263: ok 30851 263: ok 30852 263: ok 30853 263: ok 30854 263: ok 30855 263: ok 30856 263: ok 30857 263: ok 30858 263: ok 30859 263: ok 30860 263: ok 30861 263: ok 30862 263: ok 30863 263: ok 30864 263: ok 30865 263: ok 30866 263: ok 30867 263: ok 30868 263: ok 30869 263: ok 30870 263: ok 30871 263: ok 30872 263: ok 30873 263: ok 30874 263: ok 30875 263: ok 30876 263: ok 30877 263: ok 30878 263: ok 30879 263: ok 30880 263: ok 30881 263: ok 30882 263: ok 30883 263: ok 30884 263: ok 30885 263: ok 30886 263: ok 30887 263: ok 30888 263: ok 30889 263: ok 30890 263: ok 30891 263: ok 30892 263: ok 30893 263: ok 30894 263: ok 30895 263: ok 30896 263: ok 30897 263: ok 30898 263: ok 30899 263: ok 30900 263: ok 30901 263: ok 30902 263: ok 30903 263: ok 30904 263: ok 30905 263: ok 30906 263: ok 30907 263: ok 30908 263: ok 30909 263: ok 30910 263: ok 30911 263: ok 30912 263: ok 30913 263: ok 30914 263: ok 30915 263: ok 30916 263: ok 30917 263: ok 30918 263: ok 30919 263: ok 30920 263: ok 30921 263: ok 30922 263: ok 30923 263: ok 30924 263: ok 30925 263: ok 30926 263: ok 30927 263: ok 30928 263: ok 30929 263: ok 30930 263: ok 30931 263: ok 30932 263: ok 30933 263: ok 30934 263: ok 30935 263: ok 30936 263: ok 30937 263: ok 30938 263: ok 30939 263: ok 30940 263: ok 30941 263: ok 30942 263: ok 30943 263: ok 30944 263: ok 30945 263: ok 30946 263: ok 30947 263: ok 30948 263: ok 30949 263: ok 30950 263: ok 30951 263: ok 30952 263: ok 30953 263: ok 30954 263: ok 30955 263: ok 30956 263: ok 30957 263: ok 30958 263: ok 30959 263: ok 30960 263: ok 30961 263: ok 30962 263: ok 30963 263: ok 30964 263: ok 30965 263: ok 30966 263: ok 30967 263: ok 30968 263: ok 30969 263: ok 30970 263: ok 30971 263: ok 30972 263: ok 30973 263: ok 30974 263: ok 30975 263: ok 30976 263: ok 30977 263: ok 30978 263: ok 30979 263: ok 30980 263: ok 30981 263: ok 30982 263: ok 30983 263: ok 30984 263: ok 30985 263: ok 30986 263: ok 30987 263: ok 30988 263: ok 30989 263: ok 30990 263: ok 30991 263: ok 30992 263: ok 30993 263: ok 30994 263: ok 30995 263: ok 30996 263: ok 30997 263: ok 30998 263: ok 30999 263: ok 31000 263: ok 31001 263: ok 31002 263: ok 31003 263: ok 31004 263: ok 31005 263: ok 31006 263: ok 31007 263: ok 31008 263: ok 31009 263: ok 31010 263: ok 31011 263: ok 31012 263: ok 31013 263: ok 31014 263: ok 31015 263: ok 31016 263: ok 31017 263: ok 31018 263: ok 31019 263: ok 31020 263: ok 31021 263: ok 31022 263: ok 31023 263: ok 31024 263: ok 31025 263: ok 31026 263: ok 31027 263: ok 31028 263: ok 31029 263: ok 31030 263: ok 31031 263: ok 31032 263: ok 31033 263: ok 31034 263: ok 31035 263: ok 31036 263: ok 31037 263: ok 31038 263: ok 31039 263: ok 31040 263: ok 31041 263: ok 31042 263: ok 31043 263: ok 31044 263: ok 31045 263: ok 31046 263: ok 31047 263: ok 31048 263: ok 31049 263: ok 31050 263: ok 31051 263: ok 31052 263: ok 31053 263: ok 31054 263: ok 31055 263: ok 31056 263: ok 31057 263: ok 31058 263: ok 31059 263: ok 31060 263: ok 31061 263: ok 31062 263: ok 31063 263: ok 31064 263: ok 31065 263: ok 31066 263: ok 31067 263: ok 31068 263: ok 31069 263: ok 31070 263: ok 31071 263: ok 31072 263: ok 31073 263: ok 31074 263: ok 31075 263: ok 31076 263: ok 31077 263: ok 31078 263: ok 31079 263: ok 31080 263: ok 31081 263: ok 31082 263: ok 31083 263: ok 31084 263: ok 31085 263: ok 31086 263: ok 31087 263: ok 31088 263: ok 31089 263: ok 31090 263: ok 31091 263: ok 31092 263: ok 31093 263: ok 31094 263: ok 31095 263: ok 31096 263: ok 31097 263: ok 31098 263: ok 31099 263: ok 31100 263: ok 31101 263: ok 31102 263: ok 31103 263: ok 31104 263: ok 31105 263: ok 31106 263: ok 31107 263: ok 31108 263: ok 31109 263: ok 31110 263: ok 31111 263: ok 31112 263: ok 31113 263: ok 31114 263: ok 31115 263: ok 31116 263: ok 31117 263: ok 31118 263: ok 31119 263: ok 31120 263: ok 31121 263: ok 31122 263: ok 31123 263: ok 31124 263: ok 31125 263: ok 31126 263: ok 31127 263: ok 31128 263: ok 31129 263: ok 31130 263: ok 31131 263: ok 31132 263: ok 31133 263: ok 31134 263: ok 31135 263: ok 31136 263: ok 31137 263: ok 31138 263: ok 31139 263: ok 31140 263: ok 31141 263: ok 31142 263: ok 31143 263: ok 31144 263: ok 31145 263: ok 31146 263: ok 31147 263: ok 31148 263: ok 31149 263: ok 31150 263: ok 31151 263: ok 31152 263: ok 31153 263: ok 31154 263: ok 31155 263: ok 31156 263: ok 31157 263: ok 31158 263: ok 31159 263: ok 31160 263: ok 31161 263: ok 31162 263: ok 31163 263: ok 31164 263: ok 31165 263: ok 31166 263: ok 31167 263: ok 31168 263: ok 31169 263: ok 31170 263: ok 31171 263: ok 31172 263: ok 31173 263: ok 31174 263: ok 31175 263: ok 31176 263: ok 31177 263: ok 31178 263: ok 31179 263: ok 31180 263: ok 31181 263: ok 31182 263: ok 31183 263: ok 31184 263: ok 31185 263: ok 31186 263: ok 31187 263: ok 31188 263: ok 31189 263: ok 31190 263: ok 31191 263: ok 31192 263: ok 31193 263: ok 31194 263: ok 31195 263: ok 31196 263: ok 31197 263: ok 31198 263: ok 31199 263: ok 31200 263: ok 31201 263: ok 31202 263: ok 31203 263: ok 31204 263: ok 31205 263: ok 31206 263: ok 31207 263: ok 31208 263: ok 31209 263: ok 31210 263: ok 31211 263: ok 31212 263: ok 31213 263: ok 31214 263: ok 31215 263: ok 31216 263: ok 31217 263: ok 31218 263: ok 31219 263: ok 31220 263: ok 31221 263: ok 31222 263: ok 31223 263: ok 31224 263: ok 31225 263: ok 31226 263: ok 31227 263: ok 31228 263: ok 31229 263: ok 31230 263: ok 31231 263: ok 31232 263: ok 31233 263: ok 31234 263: ok 31235 263: ok 31236 263: ok 31237 263: ok 31238 263: ok 31239 263: ok 31240 263: ok 31241 263: ok 31242 263: ok 31243 263: ok 31244 263: ok 31245 263: ok 31246 263: ok 31247 263: ok 31248 263: ok 31249 263: ok 31250 263: ok 31251 263: ok 31252 263: ok 31253 263: ok 31254 263: ok 31255 263: ok 31256 263: ok 31257 263: ok 31258 263: ok 31259 263: ok 31260 263: ok 31261 263: ok 31262 263: ok 31263 263: ok 31264 263: ok 31265 263: ok 31266 263: ok 31267 263: ok 31268 263: ok 31269 263: ok 31270 263: ok 31271 263: ok 31272 263: ok 31273 263: ok 31274 263: ok 31275 263: ok 31276 263: ok 31277 263: ok 31278 263: ok 31279 263: ok 31280 263: ok 31281 263: ok 31282 263: ok 31283 263: ok 31284 263: ok 31285 263: ok 31286 263: ok 31287 263: ok 31288 263: ok 31289 263: ok 31290 263: ok 31291 263: ok 31292 263: ok 31293 263: ok 31294 263: ok 31295 263: ok 31296 263: ok 31297 263: ok 31298 263: ok 31299 263: ok 31300 263: ok 31301 263: ok 31302 263: ok 31303 263: ok 31304 263: ok 31305 263: ok 31306 263: ok 31307 263: ok 31308 263: ok 31309 263: ok 31310 263: ok 31311 263: ok 31312 263: ok 31313 263: ok 31314 263: ok 31315 263: ok 31316 263: ok 31317 263: ok 31318 263: ok 31319 263: ok 31320 263: ok 31321 263: ok 31322 263: ok 31323 263: ok 31324 263: ok 31325 263: ok 31326 263: ok 31327 263: ok 31328 263: ok 31329 263: ok 31330 263: ok 31331 263: ok 31332 263: ok 31333 263: ok 31334 263: ok 31335 263: ok 31336 263: ok 31337 263: ok 31338 263: ok 31339 263: ok 31340 263: ok 31341 263: ok 31342 263: ok 31343 263: ok 31344 263: ok 31345 263: ok 31346 263: ok 31347 263: ok 31348 263: ok 31349 263: ok 31350 263: ok 31351 263: ok 31352 263: ok 31353 263: ok 31354 263: ok 31355 263: ok 31356 263: ok 31357 263: ok 31358 263: ok 31359 263: ok 31360 263: ok 31361 263: ok 31362 263: ok 31363 263: ok 31364 263: ok 31365 263: ok 31366 263: ok 31367 263: ok 31368 263: ok 31369 263: ok 31370 263: ok 31371 263: ok 31372 263: ok 31373 263: ok 31374 263: ok 31375 263: ok 31376 263: ok 31377 263: ok 31378 263: ok 31379 263: ok 31380 263: ok 31381 263: ok 31382 263: ok 31383 263: ok 31384 263: ok 31385 263: ok 31386 263: ok 31387 263: ok 31388 263: ok 31389 263: ok 31390 263: ok 31391 263: ok 31392 263: ok 31393 263: ok 31394 263: ok 31395 263: ok 31396 263: ok 31397 263: ok 31398 263: ok 31399 263: ok 31400 263: ok 31401 263: ok 31402 263: ok 31403 263: ok 31404 263: ok 31405 263: ok 31406 263: ok 31407 263: ok 31408 263: ok 31409 263: ok 31410 263: ok 31411 263: ok 31412 263: ok 31413 263: ok 31414 263: ok 31415 263: ok 31416 263: ok 31417 263: ok 31418 263: ok 31419 263: ok 31420 263: ok 31421 263: ok 31422 263: ok 31423 263: ok 31424 263: ok 31425 263: ok 31426 263: ok 31427 263: ok 31428 263: ok 31429 263: ok 31430 263: ok 31431 263: ok 31432 263: ok 31433 263: ok 31434 263: ok 31435 263: ok 31436 263: ok 31437 263: ok 31438 263: ok 31439 263: ok 31440 263: ok 31441 263: ok 31442 263: ok 31443 263: ok 31444 263: ok 31445 263: ok 31446 263: ok 31447 263: ok 31448 263: ok 31449 263: ok 31450 263: ok 31451 263: ok 31452 263: ok 31453 263: ok 31454 263: ok 31455 263: ok 31456 263: ok 31457 263: ok 31458 263: ok 31459 263: ok 31460 263: ok 31461 263: ok 31462 263: ok 31463 263: ok 31464 263: ok 31465 263: ok 31466 263: ok 31467 263: ok 31468 263: ok 31469 263: ok 31470 263: ok 31471 263: ok 31472 263: ok 31473 263: ok 31474 263: ok 31475 263: ok 31476 263: ok 31477 263: ok 31478 263: ok 31479 263: ok 31480 263: ok 31481 263: ok 31482 263: ok 31483 263: ok 31484 263: ok 31485 263: ok 31486 263: ok 31487 263: ok 31488 263: ok 31489 263: ok 31490 263: ok 31491 263: ok 31492 263: ok 31493 263: ok 31494 263: ok 31495 263: ok 31496 263: ok 31497 263: ok 31498 263: ok 31499 263: ok 31500 263: ok 31501 263: ok 31502 263: ok 31503 263: ok 31504 263: ok 31505 263: ok 31506 263: ok 31507 263: ok 31508 263: ok 31509 263: ok 31510 263: ok 31511 263: ok 31512 263: ok 31513 263: ok 31514 263: ok 31515 263: ok 31516 263: ok 31517 263: ok 31518 263: ok 31519 263: ok 31520 263: ok 31521 263: ok 31522 263: ok 31523 263: ok 31524 263: ok 31525 263: ok 31526 263: ok 31527 263: ok 31528 263: ok 31529 263: ok 31530 263: ok 31531 263: ok 31532 263: ok 31533 263: ok 31534 263: ok 31535 263: ok 31536 263: ok 31537 263: ok 31538 263: ok 31539 263: ok 31540 263: ok 31541 263: ok 31542 263: ok 31543 263: ok 31544 263: ok 31545 263: ok 31546 263: ok 31547 263: ok 31548 263: ok 31549 263: ok 31550 263: ok 31551 263: ok 31552 263: ok 31553 263: ok 31554 263: ok 31555 263: ok 31556 263: ok 31557 263: ok 31558 263: ok 31559 263: ok 31560 263: ok 31561 263: ok 31562 263: ok 31563 263: ok 31564 263: ok 31565 263: ok 31566 263: ok 31567 263: ok 31568 263: ok 31569 263: ok 31570 263: ok 31571 263: ok 31572 263: ok 31573 263: ok 31574 263: ok 31575 263: ok 31576 263: ok 31577 263: ok 31578 263: ok 31579 263: ok 31580 263: ok 31581 263: ok 31582 263: ok 31583 263: ok 31584 263: ok 31585 263: ok 31586 263: ok 31587 263: ok 31588 263: ok 31589 263: ok 31590 263: ok 31591 263: ok 31592 263: ok 31593 263: ok 31594 263: ok 31595 263: ok 31596 263: ok 31597 263: ok 31598 263: ok 31599 263: ok 31600 263: ok 31601 263: ok 31602 263: ok 31603 263: ok 31604 263: ok 31605 263: ok 31606 263: ok 31607 263: ok 31608 263: ok 31609 263: ok 31610 263: ok 31611 263: ok 31612 263: ok 31613 263: ok 31614 263: ok 31615 263: ok 31616 263: ok 31617 263: ok 31618 263: ok 31619 263: ok 31620 263: ok 31621 263: ok 31622 263: ok 31623 263: ok 31624 263: ok 31625 263: ok 31626 263: ok 31627 263: ok 31628 263: ok 31629 263: ok 31630 263: ok 31631 263: ok 31632 263: ok 31633 263: ok 31634 263: ok 31635 263: ok 31636 263: ok 31637 263: ok 31638 263: ok 31639 263: ok 31640 263: ok 31641 263: ok 31642 263: ok 31643 263: ok 31644 263: ok 31645 263: ok 31646 263: ok 31647 263: ok 31648 263: ok 31649 263: ok 31650 263: ok 31651 263: ok 31652 263: ok 31653 263: ok 31654 263: ok 31655 263: ok 31656 263: ok 31657 263: ok 31658 263: ok 31659 263: ok 31660 263: ok 31661 263: ok 31662 263: ok 31663 263: ok 31664 263: ok 31665 263: ok 31666 263: ok 31667 263: ok 31668 263: ok 31669 263: ok 31670 263: ok 31671 263: ok 31672 263: ok 31673 263: ok 31674 263: ok 31675 263: ok 31676 263: ok 31677 263: ok 31678 263: ok 31679 263: ok 31680 263: ok 31681 263: ok 31682 263: ok 31683 263: ok 31684 263: ok 31685 263: ok 31686 263: ok 31687 263: ok 31688 263: ok 31689 263: ok 31690 263: ok 31691 263: ok 31692 263: ok 31693 263: ok 31694 263: ok 31695 263: ok 31696 263: ok 31697 263: ok 31698 263: ok 31699 263: ok 31700 263: ok 31701 263: ok 31702 263: ok 31703 263: ok 31704 263: ok 31705 263: ok 31706 263: ok 31707 263: ok 31708 263: ok 31709 263: ok 31710 263: ok 31711 263: ok 31712 263: ok 31713 263: ok 31714 263: ok 31715 263: ok 31716 263: ok 31717 263: ok 31718 263: ok 31719 263: ok 31720 263: ok 31721 263: ok 31722 263: ok 31723 263: ok 31724 263: ok 31725 263: ok 31726 263: ok 31727 263: ok 31728 263: ok 31729 263: ok 31730 263: ok 31731 263: ok 31732 263: ok 31733 263: ok 31734 263: ok 31735 263: ok 31736 263: ok 31737 263: ok 31738 263: ok 31739 263: ok 31740 263: ok 31741 263: ok 31742 263: ok 31743 263: ok 31744 263: ok 31745 263: ok 31746 263: ok 31747 263: ok 31748 263: ok 31749 263: ok 31750 263: ok 31751 263: ok 31752 263: ok 31753 263: ok 31754 263: ok 31755 263: ok 31756 263: ok 31757 263: ok 31758 263: ok 31759 263: ok 31760 263: ok 31761 263: ok 31762 263: ok 31763 263: ok 31764 263: ok 31765 263: ok 31766 263: ok 31767 263: ok 31768 263: ok 31769 263: ok 31770 263: ok 31771 263: ok 31772 263: ok 31773 263: ok 31774 263: ok 31775 263: ok 31776 263: ok 31777 263: ok 31778 263: ok 31779 263: ok 31780 263: ok 31781 263: ok 31782 263: ok 31783 263: ok 31784 263: ok 31785 263: ok 31786 263: ok 31787 263: ok 31788 263: ok 31789 263: ok 31790 263: ok 31791 263: ok 31792 263: ok 31793 263: ok 31794 263: ok 31795 263: ok 31796 263: ok 31797 263: ok 31798 263: ok 31799 263: ok 31800 263: ok 31801 263: ok 31802 263: ok 31803 263: ok 31804 263: ok 31805 263: ok 31806 263: ok 31807 263: ok 31808 263: ok 31809 263: ok 31810 263: ok 31811 263: ok 31812 263: ok 31813 263: ok 31814 263: ok 31815 263: ok 31816 263: ok 31817 263: ok 31818 263: ok 31819 263: ok 31820 263: ok 31821 263: ok 31822 263: ok 31823 263: ok 31824 263: ok 31825 263: ok 31826 263: ok 31827 263: ok 31828 263: ok 31829 263: ok 31830 263: ok 31831 263: ok 31832 263: ok 31833 263: ok 31834 263: ok 31835 263: ok 31836 263: ok 31837 263: ok 31838 263: ok 31839 263: ok 31840 263: ok 31841 263: ok 31842 263: ok 31843 263: ok 31844 263: ok 31845 263: ok 31846 263: ok 31847 263: ok 31848 263: ok 31849 263: ok 31850 263: ok 31851 263: ok 31852 263: ok 31853 263: ok 31854 263: ok 31855 263: ok 31856 263: ok 31857 263: ok 31858 263: ok 31859 263: ok 31860 263: ok 31861 263: ok 31862 263: ok 31863 263: ok 31864 263: ok 31865 263: ok 31866 263: ok 31867 263: ok 31868 263: ok 31869 263: ok 31870 263: ok 31871 263: ok 31872 263: ok 31873 263: ok 31874 263: ok 31875 263: ok 31876 263: ok 31877 263: ok 31878 263: ok 31879 263: ok 31880 263: ok 31881 263: ok 31882 263: ok 31883 263: ok 31884 263: ok 31885 263: ok 31886 263: ok 31887 263: ok 31888 263: ok 31889 263: ok 31890 263: ok 31891 263: ok 31892 263: ok 31893 263: ok 31894 263: ok 31895 263: ok 31896 263: ok 31897 263: ok 31898 263: ok 31899 263: ok 31900 263: ok 31901 263: ok 31902 263: ok 31903 263: ok 31904 263: ok 31905 263: ok 31906 263: ok 31907 263: ok 31908 263: ok 31909 263: ok 31910 263: ok 31911 263: ok 31912 263: ok 31913 263: ok 31914 263: ok 31915 263: ok 31916 263: ok 31917 263: ok 31918 263: ok 31919 263: ok 31920 263: ok 31921 263: ok 31922 263: ok 31923 263: ok 31924 263: ok 31925 263: ok 31926 263: ok 31927 263: ok 31928 263: ok 31929 263: ok 31930 263: ok 31931 263: ok 31932 263: ok 31933 263: ok 31934 263: ok 31935 263: ok 31936 263: ok 31937 263: ok 31938 263: ok 31939 263: ok 31940 263: ok 31941 263: ok 31942 263: ok 31943 263: ok 31944 263: ok 31945 263: ok 31946 263: ok 31947 263: ok 31948 263: ok 31949 263: ok 31950 263: ok 31951 263: ok 31952 263: ok 31953 263: ok 31954 263: ok 31955 263: ok 31956 263: ok 31957 263: ok 31958 263: ok 31959 263: ok 31960 263: ok 31961 263: ok 31962 263: ok 31963 263: ok 31964 263: ok 31965 263: ok 31966 263: ok 31967 263: ok 31968 263: ok 31969 263: ok 31970 263: ok 31971 263: ok 31972 263: ok 31973 263: ok 31974 263: ok 31975 263: ok 31976 263: ok 31977 263: ok 31978 263: ok 31979 263: ok 31980 263: ok 31981 263: ok 31982 263: ok 31983 263: ok 31984 263: ok 31985 263: ok 31986 263: ok 31987 263: ok 31988 263: ok 31989 263: ok 31990 263: ok 31991 263: ok 31992 263: ok 31993 263: ok 31994 263: ok 31995 263: ok 31996 263: ok 31997 263: ok 31998 263: ok 31999 263: ok 32000 263: ok 32001 263: ok 32002 263: ok 32003 263: ok 32004 263: ok 32005 263: ok 32006 263: ok 32007 263: ok 32008 263: ok 32009 263: ok 32010 263: ok 32011 263: ok 32012 263: ok 32013 263: ok 32014 263: ok 32015 263: ok 32016 263: ok 32017 263: ok 32018 263: ok 32019 263: ok 32020 263: ok 32021 263: ok 32022 263: ok 32023 263: ok 32024 263: ok 32025 263: ok 32026 263: ok 32027 263: ok 32028 263: ok 32029 263: ok 32030 263: ok 32031 263: ok 32032 263: ok 32033 263: ok 32034 263: ok 32035 263: ok 32036 263: ok 32037 263: ok 32038 263: ok 32039 263: ok 32040 263: ok 32041 263: ok 32042 263: ok 32043 263: ok 32044 263: ok 32045 263: ok 32046 263: ok 32047 263: ok 32048 263: ok 32049 263: ok 32050 263: ok 32051 263: ok 32052 263: ok 32053 263: ok 32054 263: ok 32055 263: ok 32056 263: ok 32057 263: ok 32058 263: ok 32059 263: ok 32060 263: ok 32061 263: ok 32062 263: ok 32063 263: ok 32064 263: ok 32065 263: ok 32066 263: ok 32067 263: ok 32068 263: ok 32069 263: ok 32070 263: ok 32071 263: ok 32072 263: ok 32073 263: ok 32074 263: ok 32075 263: ok 32076 263: ok 32077 263: ok 32078 263: ok 32079 263: ok 32080 263: ok 32081 263: ok 32082 263: ok 32083 263: ok 32084 263: ok 32085 263: ok 32086 263: ok 32087 263: ok 32088 263: ok 32089 263: ok 32090 263: ok 32091 263: ok 32092 263: ok 32093 263: ok 32094 263: ok 32095 263: ok 32096 263: ok 32097 263: ok 32098 263: ok 32099 263: ok 32100 263: ok 32101 263: ok 32102 263: ok 32103 263: ok 32104 263: ok 32105 263: ok 32106 263: ok 32107 263: ok 32108 263: ok 32109 263: ok 32110 263: ok 32111 263: ok 32112 263: ok 32113 263: ok 32114 263: ok 32115 263: ok 32116 263: ok 32117 263: ok 32118 263: ok 32119 263: ok 32120 263: ok 32121 263: ok 32122 263: ok 32123 263: ok 32124 263: ok 32125 263: ok 32126 263: ok 32127 263: ok 32128 263: ok 32129 263: ok 32130 263: ok 32131 263: ok 32132 263: ok 32133 263: ok 32134 263: ok 32135 263: ok 32136 263: ok 32137 263: ok 32138 263: ok 32139 263: ok 32140 263: ok 32141 263: ok 32142 263: ok 32143 263: ok 32144 263: ok 32145 263: ok 32146 263: ok 32147 263: ok 32148 263: ok 32149 263: ok 32150 263: ok 32151 263: ok 32152 263: ok 32153 263: ok 32154 263: ok 32155 263: ok 32156 263: ok 32157 263: ok 32158 263: ok 32159 263: ok 32160 263: ok 32161 263: ok 32162 263: ok 32163 263: ok 32164 263: ok 32165 263: ok 32166 263: ok 32167 263: ok 32168 263: ok 32169 263: ok 32170 263: ok 32171 263: ok 32172 263: ok 32173 263: ok 32174 263: ok 32175 263: ok 32176 263: ok 32177 263: ok 32178 263: ok 32179 263: ok 32180 263: ok 32181 263: ok 32182 263: ok 32183 263: ok 32184 263: ok 32185 263: ok 32186 263: ok 32187 263: ok 32188 263: ok 32189 263: ok 32190 263: ok 32191 263: ok 32192 263: ok 32193 263: ok 32194 263: ok 32195 263: ok 32196 263: ok 32197 263: ok 32198 263: ok 32199 263: ok 32200 263: ok 32201 263: ok 32202 263: ok 32203 263: ok 32204 263: ok 32205 263: ok 32206 263: ok 32207 263: ok 32208 263: ok 32209 263: ok 32210 263: ok 32211 263: ok 32212 263: ok 32213 263: ok 32214 263: ok 32215 263: ok 32216 263: ok 32217 263: ok 32218 263: ok 32219 263: ok 32220 263: ok 32221 263: ok 32222 263: ok 32223 263: ok 32224 263: ok 32225 263: ok 32226 263: ok 32227 263: ok 32228 263: ok 32229 263: ok 32230 263: ok 32231 263: ok 32232 263: ok 32233 263: ok 32234 263: ok 32235 263: ok 32236 263: ok 32237 263: ok 32238 263: ok 32239 263: ok 32240 263: ok 32241 263: ok 32242 263: ok 32243 263: ok 32244 263: ok 32245 263: ok 32246 263: ok 32247 263: ok 32248 263: ok 32249 263: ok 32250 263: ok 32251 263: ok 32252 263: ok 32253 263: ok 32254 263: ok 32255 263: ok 32256 263: ok 32257 263: ok 32258 263: ok 32259 263: ok 32260 263: ok 32261 263: ok 32262 263: ok 32263 263: ok 32264 263: ok 32265 263: ok 32266 263: ok 32267 263: ok 32268 263: ok 32269 263: ok 32270 263: ok 32271 263: ok 32272 263: ok 32273 263: ok 32274 263: ok 32275 263: ok 32276 263: ok 32277 263: ok 32278 263: ok 32279 263: ok 32280 263: ok 32281 263: ok 32282 263: ok 32283 263: ok 32284 263: ok 32285 263: ok 32286 263: ok 32287 263: ok 32288 263: ok 32289 263: ok 32290 263: ok 32291 263: ok 32292 263: ok 32293 263: ok 32294 263: ok 32295 263: ok 32296 263: ok 32297 263: ok 32298 263: ok 32299 263: ok 32300 263: ok 32301 263: ok 32302 263: ok 32303 263: ok 32304 263: ok 32305 263: ok 32306 263: ok 32307 263: ok 32308 263: ok 32309 263: ok 32310 263: ok 32311 263: ok 32312 263: ok 32313 263: ok 32314 263: ok 32315 263: ok 32316 263: ok 32317 263: ok 32318 263: ok 32319 263: ok 32320 263: ok 32321 263: ok 32322 263: ok 32323 263: ok 32324 263: ok 32325 263: ok 32326 263: ok 32327 263: ok 32328 263: ok 32329 263: ok 32330 263: ok 32331 263: ok 32332 263: ok 32333 263: ok 32334 263: ok 32335 263: ok 32336 263: ok 32337 263: ok 32338 263: ok 32339 263: ok 32340 263: ok 32341 263: ok 32342 263: ok 32343 263: ok 32344 263: ok 32345 263: ok 32346 263: ok 32347 263: ok 32348 263: ok 32349 263: ok 32350 263: ok 32351 263: ok 32352 263: ok 32353 263: ok 32354 263: ok 32355 263: ok 32356 263: ok 32357 263: ok 32358 263: ok 32359 263: ok 32360 263: ok 32361 263: ok 32362 263: ok 32363 263: ok 32364 263: ok 32365 263: ok 32366 263: ok 32367 263: ok 32368 263: ok 32369 263: ok 32370 263: ok 32371 263: ok 32372 263: ok 32373 263: ok 32374 263: ok 32375 263: ok 32376 263: ok 32377 263: ok 32378 263: ok 32379 263: ok 32380 263: ok 32381 263: ok 32382 263: ok 32383 263: ok 32384 263: ok 32385 263: ok 32386 263: ok 32387 263: ok 32388 263: ok 32389 263: ok 32390 263: ok 32391 263: ok 32392 263: ok 32393 263: ok 32394 263: ok 32395 263: ok 32396 263: ok 32397 263: ok 32398 263: ok 32399 263: ok 32400 263: ok 32401 263: ok 32402 263: ok 32403 263: ok 32404 263: ok 32405 263: ok 32406 263: ok 32407 263: ok 32408 263: ok 32409 263: ok 32410 263: ok 32411 263: ok 32412 263: ok 32413 263: ok 32414 263: ok 32415 263: ok 32416 263: ok 32417 263: ok 32418 263: ok 32419 263: ok 32420 263: ok 32421 263: ok 32422 263: ok 32423 263: ok 32424 263: ok 32425 263: ok 32426 263: ok 32427 263: ok 32428 263: ok 32429 263: ok 32430 263: ok 32431 263: ok 32432 263: ok 32433 263: ok 32434 263: ok 32435 263: ok 32436 263: ok 32437 263: ok 32438 263: ok 32439 263: ok 32440 263: ok 32441 263: ok 32442 263: ok 32443 263: ok 32444 263: ok 32445 263: ok 32446 263: ok 32447 263: ok 32448 263: ok 32449 263: ok 32450 263: ok 32451 263: ok 32452 263: ok 32453 263: ok 32454 263: ok 32455 263: ok 32456 263: ok 32457 263: ok 32458 263: ok 32459 263: ok 32460 263: ok 32461 263: ok 32462 263: ok 32463 263: ok 32464 263: ok 32465 263: ok 32466 263: ok 32467 263: ok 32468 263: ok 32469 263: ok 32470 263: ok 32471 263: ok 32472 263: ok 32473 263: ok 32474 263: ok 32475 263: ok 32476 263: ok 32477 263: ok 32478 263: ok 32479 263: ok 32480 263: ok 32481 263: ok 32482 263: ok 32483 263: ok 32484 263: ok 32485 263: ok 32486 263: ok 32487 263: ok 32488 263: ok 32489 263: ok 32490 263: ok 32491 263: ok 32492 263: ok 32493 263: ok 32494 263: ok 32495 263: ok 32496 263: ok 32497 263: ok 32498 263: ok 32499 263: ok 32500 263: ok 32501 263: ok 32502 263: ok 32503 263: ok 32504 263: ok 32505 263: ok 32506 263: ok 32507 263: ok 32508 263: ok 32509 263: ok 32510 263: ok 32511 263: ok 32512 263: ok 32513 263: ok 32514 263: ok 32515 263: ok 32516 263: ok 32517 263: ok 32518 263: ok 32519 263: ok 32520 263: ok 32521 263: ok 32522 263: ok 32523 263: ok 32524 263: ok 32525 263: ok 32526 263: ok 32527 263: ok 32528 263: ok 32529 263: ok 32530 263: ok 32531 263: ok 32532 263: ok 32533 263: ok 32534 263: ok 32535 263: ok 32536 263: ok 32537 263: ok 32538 263: ok 32539 263: ok 32540 263: ok 32541 263: ok 32542 263: ok 32543 263: ok 32544 263: ok 32545 263: ok 32546 263: ok 32547 263: ok 32548 263: ok 32549 263: ok 32550 263: ok 32551 263: ok 32552 263: ok 32553 263: ok 32554 263: ok 32555 263: ok 32556 263: ok 32557 263: ok 32558 263: ok 32559 263: ok 32560 263: ok 32561 263: ok 32562 263: ok 32563 263: ok 32564 263: ok 32565 263: ok 32566 263: ok 32567 263: ok 32568 263: ok 32569 263: ok 32570 263: ok 32571 263: ok 32572 263: ok 32573 263: ok 32574 263: ok 32575 263: ok 32576 263: ok 32577 263: ok 32578 263: ok 32579 263: ok 32580 263: ok 32581 263: ok 32582 263: ok 32583 263: ok 32584 263: ok 32585 263: ok 32586 263: ok 32587 263: ok 32588 263: ok 32589 263: ok 32590 263: ok 32591 263: ok 32592 263: ok 32593 263: ok 32594 263: ok 32595 263: ok 32596 263: ok 32597 263: ok 32598 263: ok 32599 263: ok 32600 263: ok 32601 263: ok 32602 263: ok 32603 263: ok 32604 263: ok 32605 263: ok 32606 263: ok 32607 263: ok 32608 263: ok 32609 263: ok 32610 263: ok 32611 263: ok 32612 263: ok 32613 263: ok 32614 263: ok 32615 263: ok 32616 263: ok 32617 263: ok 32618 263: ok 32619 263: ok 32620 263: ok 32621 263: ok 32622 263: ok 32623 263: ok 32624 263: ok 32625 263: ok 32626 263: ok 32627 263: ok 32628 263: ok 32629 263: ok 32630 263: ok 32631 263: ok 32632 263: ok 32633 263: ok 32634 263: ok 32635 263: ok 32636 263: ok 32637 263: ok 32638 263: ok 32639 263: ok 32640 263: ok 32641 263: ok 32642 263: ok 32643 263: ok 32644 263: ok 32645 263: ok 32646 263: ok 32647 263: ok 32648 263: ok 32649 263: ok 32650 263: ok 32651 263: ok 32652 263: ok 32653 263: ok 32654 263: ok 32655 263: ok 32656 263: ok 32657 263: ok 32658 263: ok 32659 263: ok 32660 263: ok 32661 263: ok 32662 263: ok 32663 263: ok 32664 263: ok 32665 263: ok 32666 263: ok 32667 263: ok 32668 263: ok 32669 263: ok 32670 263: ok 32671 263: ok 32672 263: ok 32673 263: ok 32674 263: ok 32675 263: ok 32676 263: ok 32677 263: ok 32678 263: ok 32679 263: ok 32680 263: ok 32681 263: ok 32682 263: ok 32683 263: ok 32684 263: ok 32685 263: ok 32686 263: ok 32687 263: ok 32688 263: ok 32689 263: ok 32690 263: ok 32691 263: ok 32692 263: ok 32693 263: ok 32694 263: ok 32695 263: ok 32696 263: ok 32697 263: ok 32698 263: ok 32699 263: ok 32700 263: ok 32701 263: ok 32702 263: ok 32703 263: ok 32704 263: ok 32705 263: ok 32706 263: ok 32707 263: ok 32708 263: ok 32709 263: ok 32710 263: ok 32711 263: ok 32712 263: ok 32713 263: ok 32714 263: ok 32715 263: ok 32716 263: ok 32717 263: ok 32718 263: ok 32719 263: ok 32720 263: ok 32721 263: ok 32722 263: ok 32723 263: ok 32724 263: ok 32725 263: ok 32726 263: ok 32727 263: ok 32728 263: ok 32729 263: ok 32730 263: ok 32731 263: ok 32732 263: ok 32733 263: ok 32734 263: ok 32735 263: ok 32736 263: ok 32737 263: ok 32738 263: ok 32739 263: ok 32740 263: ok 32741 263: ok 32742 263: ok 32743 263: ok 32744 263: ok 32745 263: ok 32746 263: ok 32747 263: ok 32748 263: ok 32749 263: ok 32750 263: ok 32751 263: ok 32752 263: ok 32753 263: ok 32754 263: ok 32755 263: ok 32756 263: ok 32757 263: ok 32758 263: ok 32759 263: ok 32760 263: ok 32761 263: ok 32762 263: ok 32763 263: ok 32764 263: ok 32765 263: ok 32766 263: ok 32767 263: ok 32768 263: ok 32769 263: ok 32770 263: ok 32771 263: ok 32772 263: ok 32773 263: ok 32774 263: ok 32775 263: ok 32776 263: ok 32777 263: ok 32778 263: ok 32779 263: ok 32780 263: ok 32781 263: ok 32782 263: ok 32783 263: ok 32784 263: ok 32785 263: ok 32786 263: ok 32787 263: ok 32788 263: ok 32789 263: ok 32790 263: ok 32791 263: ok 32792 263: ok 32793 263: ok 32794 263: ok 32795 263: ok 32796 263: ok 32797 263: ok 32798 263: ok 32799 263: ok 32800 263: ok 32801 263: ok 32802 263: ok 32803 263: ok 32804 263: ok 32805 263: ok 32806 263: ok 32807 263: ok 32808 263: ok 32809 263: ok 32810 263: ok 32811 263: ok 32812 263: ok 32813 263: ok 32814 263: ok 32815 263: ok 32816 263: ok 32817 263: ok 32818 263: ok 32819 263: ok 32820 263: ok 32821 263: ok 32822 263: ok 32823 263: ok 32824 263: ok 32825 263: ok 32826 263: ok 32827 263: ok 32828 263: ok 32829 263: ok 32830 263: ok 32831 263: ok 32832 263: ok 32833 263: ok 32834 263: ok 32835 263: ok 32836 263: ok 32837 263: ok 32838 263: ok 32839 263: ok 32840 263: ok 32841 263: ok 32842 263: ok 32843 263: ok 32844 263: ok 32845 263: ok 32846 263: ok 32847 263: ok 32848 263: ok 32849 263: ok 32850 263: ok 32851 263: ok 32852 263: ok 32853 263: ok 32854 263: ok 32855 263: ok 32856 263: ok 32857 263: ok 32858 263: ok 32859 263: ok 32860 263: ok 32861 263: ok 32862 263: ok 32863 263: ok 32864 263: ok 32865 263: ok 32866 263: ok 32867 263: ok 32868 263: ok 32869 263: ok 32870 263: ok 32871 263: ok 32872 263: ok 32873 263: ok 32874 263: ok 32875 263: ok 32876 263: ok 32877 263: ok 32878 263: ok 32879 263: ok 32880 263: ok 32881 263: ok 32882 263: ok 32883 263: ok 32884 263: ok 32885 263: ok 32886 263: ok 32887 263: ok 32888 263: ok 32889 263: ok 32890 263: ok 32891 263: ok 32892 263: ok 32893 263: ok 32894 263: ok 32895 263: ok 32896 263: ok 32897 263: ok 32898 263: ok 32899 263: ok 32900 263: ok 32901 263: ok 32902 263: ok 32903 263: ok 32904 263: ok 32905 263: ok 32906 263: ok 32907 263: ok 32908 263: ok 32909 263: ok 32910 263: ok 32911 263: ok 32912 263: ok 32913 263: ok 32914 263: ok 32915 263: ok 32916 263: ok 32917 263: ok 32918 263: ok 32919 263: ok 32920 263: ok 32921 263: ok 32922 263: ok 32923 263: ok 32924 263: ok 32925 263: ok 32926 263: ok 32927 263: ok 32928 263: ok 32929 263: ok 32930 263: ok 32931 263: ok 32932 263: ok 32933 263: ok 32934 263: ok 32935 263: ok 32936 263: ok 32937 263: ok 32938 263: ok 32939 263: ok 32940 263: ok 32941 263: ok 32942 263: ok 32943 263: ok 32944 263: ok 32945 263: ok 32946 263: ok 32947 263: ok 32948 263: ok 32949 263: ok 32950 263: ok 32951 263: ok 32952 263: ok 32953 263: ok 32954 263: ok 32955 263: ok 32956 263: ok 32957 263: ok 32958 263: ok 32959 263: ok 32960 263: ok 32961 263: ok 32962 263: ok 32963 263: ok 32964 263: ok 32965 263: ok 32966 263: ok 32967 263: ok 32968 263: ok 32969 263: ok 32970 263: ok 32971 263: ok 32972 263: ok 32973 263: ok 32974 263: ok 32975 263: ok 32976 263: ok 32977 263: ok 32978 263: ok 32979 263: ok 32980 263: ok 32981 263: ok 32982 263: ok 32983 263: ok 32984 263: ok 32985 263: ok 32986 263: ok 32987 263: ok 32988 263: ok 32989 263: ok 32990 263: ok 32991 263: ok 32992 263: ok 32993 263: ok 32994 263: ok 32995 263: ok 32996 263: ok 32997 263: ok 32998 263: ok 32999 263: ok 33000 263: ok 33001 263: ok 33002 263: ok 33003 263: ok 33004 263: ok 33005 263: ok 33006 263: ok 33007 263: ok 33008 263: ok 33009 263: ok 33010 263: ok 33011 263: ok 33012 263: ok 33013 263: ok 33014 263: ok 33015 263: ok 33016 263: ok 33017 263: ok 33018 263: ok 33019 263: ok 33020 263: ok 33021 263: ok 33022 263: ok 33023 263: ok 33024 263: ok 33025 263: ok 33026 263: ok 33027 263: ok 33028 263: ok 33029 263: ok 33030 263: ok 33031 263: ok 33032 263: ok 33033 263: ok 33034 263: ok 33035 263: ok 33036 263: ok 33037 263: ok 33038 263: ok 33039 263: ok 33040 263: ok 33041 263: ok 33042 263: ok 33043 263: ok 33044 263: ok 33045 263: ok 33046 263: ok 33047 263: ok 33048 263: ok 33049 263: ok 33050 263: ok 33051 263: ok 33052 263: ok 33053 263: ok 33054 263: ok 33055 263: ok 33056 263: ok 33057 263: ok 33058 263: ok 33059 263: ok 33060 263: ok 33061 263: ok 33062 263: ok 33063 263: ok 33064 263: ok 33065 263: ok 33066 263: ok 33067 263: ok 33068 263: ok 33069 263: ok 33070 263: ok 33071 263: ok 33072 263: ok 33073 263: ok 33074 263: ok 33075 263: ok 33076 263: ok 33077 263: ok 33078 263: ok 33079 263: ok 33080 263: ok 33081 263: ok 33082 263: ok 33083 263: ok 33084 263: ok 33085 263: ok 33086 263: ok 33087 263: ok 33088 263: ok 33089 263: ok 33090 263: ok 33091 263: ok 33092 263: ok 33093 263: ok 33094 263: ok 33095 263: ok 33096 263: ok 33097 263: ok 33098 263: ok 33099 263: ok 33100 263: ok 33101 263: ok 33102 263: ok 33103 263: ok 33104 263: ok 33105 263: ok 33106 263: ok 33107 263: ok 33108 263: ok 33109 263: ok 33110 263: ok 33111 263: ok 33112 263: ok 33113 263: ok 33114 263: ok 33115 263: ok 33116 263: ok 33117 263: ok 33118 263: ok 33119 263: ok 33120 263: ok 33121 263: ok 33122 263: ok 33123 263: ok 33124 263: ok 33125 263: ok 33126 263: ok 33127 263: ok 33128 263: ok 33129 263: ok 33130 263: ok 33131 263: ok 33132 263: ok 33133 263: ok 33134 263: ok 33135 263: ok 33136 263: ok 33137 263: ok 33138 263: ok 33139 263: ok 33140 263: ok 33141 263: ok 33142 263: ok 33143 263: ok 33144 263: ok 33145 263: ok 33146 263: ok 33147 263: ok 33148 263: ok 33149 263: ok 33150 263: ok 33151 263: ok 33152 263: ok 33153 263: ok 33154 263: ok 33155 263: ok 33156 263: ok 33157 263: ok 33158 263: ok 33159 263: ok 33160 263: ok 33161 263: ok 33162 263: ok 33163 263: ok 33164 263: ok 33165 263: ok 33166 263: ok 33167 263: ok 33168 263: ok 33169 263: ok 33170 263: ok 33171 263: ok 33172 263: ok 33173 263: ok 33174 263: ok 33175 263: ok 33176 263: ok 33177 263: ok 33178 263: ok 33179 263: ok 33180 263: ok 33181 263: ok 33182 263: ok 33183 263: ok 33184 263: ok 33185 263: ok 33186 263: ok 33187 263: ok 33188 263: ok 33189 263: ok 33190 263: ok 33191 263: ok 33192 263: ok 33193 263: ok 33194 263: ok 33195 263: ok 33196 263: ok 33197 263: ok 33198 263: ok 33199 263: ok 33200 263: ok 33201 263: ok 33202 263: ok 33203 263: ok 33204 263: ok 33205 263: ok 33206 263: ok 33207 263: ok 33208 263: ok 33209 263: ok 33210 263: ok 33211 263: ok 33212 263: ok 33213 263: ok 33214 263: ok 33215 263: ok 33216 263: ok 33217 263: ok 33218 263: ok 33219 263: ok 33220 263: ok 33221 263: ok 33222 263: ok 33223 263: ok 33224 263: ok 33225 263: ok 33226 263: ok 33227 263: ok 33228 263: ok 33229 263: ok 33230 263: ok 33231 263: ok 33232 263: ok 33233 263: ok 33234 263: ok 33235 263: ok 33236 263: ok 33237 263: ok 33238 263: ok 33239 263: ok 33240 263: ok 33241 263: ok 33242 263: ok 33243 263: ok 33244 263: ok 33245 263: ok 33246 263: ok 33247 263: ok 33248 263: ok 33249 263: ok 33250 263: ok 33251 263: ok 33252 263: ok 33253 263: ok 33254 263: ok 33255 263: ok 33256 263: ok 33257 263: ok 33258 263: ok 33259 263: ok 33260 263: ok 33261 263: ok 33262 263: ok 33263 263: ok 33264 263: ok 33265 263: ok 33266 263: ok 33267 263: ok 33268 263: ok 33269 263: ok 33270 263: ok 33271 263: ok 33272 263: ok 33273 263: ok 33274 263: ok 33275 263: ok 33276 263: ok 33277 263: ok 33278 263: ok 33279 263: ok 33280 263: ok 33281 263: ok 33282 263: ok 33283 263: ok 33284 263: ok 33285 263: ok 33286 263: ok 33287 263: ok 33288 263: ok 33289 263: ok 33290 263: ok 33291 263: ok 33292 263: ok 33293 263: ok 33294 263: ok 33295 263: ok 33296 263: ok 33297 263: ok 33298 263: ok 33299 263: ok 33300 263: ok 33301 263: ok 33302 263: ok 33303 263: ok 33304 263: ok 33305 263: ok 33306 263: ok 33307 263: ok 33308 263: ok 33309 263: ok 33310 263: ok 33311 263: ok 33312 263: ok 33313 263: ok 33314 263: ok 33315 263: ok 33316 263: ok 33317 263: ok 33318 263: ok 33319 263: ok 33320 263: ok 33321 263: ok 33322 263: ok 33323 263: ok 33324 263: ok 33325 263: ok 33326 263: ok 33327 263: ok 33328 263: ok 33329 263: ok 33330 263: ok 33331 263: ok 33332 263: ok 33333 263: ok 33334 263: ok 33335 263: ok 33336 263: ok 33337 263: ok 33338 263: ok 33339 263: ok 33340 263: ok 33341 263: ok 33342 263: ok 33343 263: ok 33344 263: ok 33345 263: ok 33346 263: ok 33347 263: ok 33348 263: ok 33349 263: ok 33350 263: ok 33351 263: ok 33352 263: ok 33353 263: ok 33354 263: ok 33355 263: ok 33356 263: ok 33357 263: ok 33358 263: ok 33359 263: ok 33360 263: ok 33361 263: ok 33362 263: ok 33363 263: ok 33364 263: ok 33365 263: ok 33366 263: ok 33367 263: ok 33368 263: ok 33369 263: ok 33370 263: ok 33371 263: ok 33372 263: ok 33373 263: ok 33374 263: ok 33375 263: ok 33376 263: ok 33377 263: ok 33378 263: ok 33379 263: ok 33380 263: ok 33381 263: ok 33382 263: ok 33383 263: ok 33384 263: ok 33385 263: ok 33386 263: ok 33387 263: ok 33388 263: ok 33389 263: ok 33390 263: ok 33391 263: ok 33392 263: ok 33393 263: ok 33394 263: ok 33395 263: ok 33396 263: ok 33397 263: ok 33398 263: ok 33399 263: ok 33400 263: ok 33401 263: ok 33402 263: ok 33403 263: ok 33404 263: ok 33405 263: ok 33406 263: ok 33407 263: ok 33408 263: ok 33409 263: ok 33410 263: ok 33411 263: ok 33412 263: ok 33413 263: ok 33414 263: ok 33415 263: ok 33416 263: ok 33417 263: ok 33418 263: ok 33419 263: ok 33420 263: ok 33421 263: ok 33422 263: ok 33423 263: ok 33424 263: ok 33425 263: ok 33426 263: ok 33427 263: ok 33428 263: ok 33429 263: ok 33430 263: ok 33431 263: ok 33432 263: ok 33433 263: ok 33434 263: ok 33435 263: ok 33436 263: ok 33437 263: ok 33438 263: ok 33439 263: ok 33440 263: ok 33441 263: ok 33442 263: ok 33443 263: ok 33444 263: ok 33445 263: ok 33446 263: ok 33447 263: ok 33448 263: ok 33449 263: ok 33450 263: ok 33451 263: ok 33452 263: ok 33453 263: ok 33454 263: ok 33455 263: ok 33456 263: ok 33457 263: ok 33458 263: ok 33459 263: ok 33460 263: ok 33461 263: ok 33462 263: ok 33463 263: ok 33464 263: ok 33465 263: ok 33466 263: ok 33467 263: ok 33468 263: ok 33469 263: ok 33470 263: ok 33471 263: ok 33472 263: ok 33473 263: ok 33474 263: ok 33475 263: ok 33476 263: ok 33477 263: ok 33478 263: ok 33479 263: ok 33480 263: ok 33481 263: ok 33482 263: ok 33483 263: ok 33484 263: ok 33485 263: ok 33486 263: ok 33487 263: ok 33488 263: ok 33489 263: ok 33490 263: ok 33491 263: ok 33492 263: ok 33493 263: ok 33494 263: ok 33495 263: ok 33496 263: ok 33497 263: ok 33498 263: ok 33499 263: ok 33500 263: ok 33501 263: ok 33502 263: ok 33503 263: ok 33504 263: ok 33505 263: ok 33506 263: ok 33507 263: ok 33508 263: ok 33509 263: ok 33510 263: ok 33511 263: ok 33512 263: ok 33513 263: ok 33514 263: ok 33515 263: ok 33516 263: ok 33517 263: ok 33518 263: ok 33519 263: ok 33520 263: ok 33521 263: ok 33522 263: ok 33523 263: ok 33524 263: ok 33525 263: ok 33526 263: ok 33527 263: ok 33528 263: ok 33529 263: ok 33530 263: ok 33531 263: ok 33532 263: ok 33533 263: ok 33534 263: ok 33535 263: ok 33536 263: ok 33537 263: ok 33538 263: ok 33539 263: ok 33540 263: ok 33541 263: ok 33542 263: ok 33543 263: ok 33544 263: ok 33545 263: ok 33546 263: ok 33547 263: ok 33548 263: ok 33549 263: ok 33550 263: ok 33551 263: ok 33552 263: ok 33553 263: ok 33554 263: ok 33555 263: ok 33556 263: ok 33557 263: ok 33558 263: ok 33559 263: ok 33560 263: ok 33561 263: ok 33562 263: ok 33563 263: ok 33564 263: ok 33565 263: ok 33566 263: ok 33567 263: ok 33568 263: ok 33569 263: ok 33570 263: ok 33571 263: ok 33572 263: ok 33573 263: ok 33574 263: ok 33575 263: ok 33576 263: ok 33577 263: ok 33578 263: ok 33579 263: ok 33580 263: ok 33581 263: ok 33582 263: ok 33583 263: ok 33584 263: ok 33585 263: ok 33586 263: ok 33587 263: ok 33588 263: ok 33589 263: ok 33590 263: ok 33591 263: ok 33592 263: ok 33593 263: ok 33594 263: ok 33595 263: ok 33596 263: ok 33597 263: ok 33598 263: ok 33599 263: ok 33600 263: ok 33601 263: ok 33602 263: ok 33603 263: ok 33604 263: ok 33605 263: ok 33606 263: ok 33607 263: ok 33608 263: ok 33609 263: ok 33610 263: ok 33611 263: ok 33612 263: ok 33613 263: ok 33614 263: ok 33615 263: ok 33616 263: ok 33617 263: ok 33618 263: ok 33619 263: ok 33620 263: ok 33621 263: ok 33622 263: ok 33623 263: ok 33624 263: ok 33625 263: ok 33626 263: ok 33627 263: ok 33628 263: ok 33629 263: ok 33630 263: ok 33631 263: ok 33632 263: ok 33633 263: ok 33634 263: ok 33635 263: ok 33636 263: ok 33637 263: ok 33638 263: ok 33639 263: ok 33640 263: ok 33641 263: ok 33642 263: ok 33643 263: ok 33644 263: ok 33645 263: ok 33646 263: ok 33647 263: ok 33648 263: ok 33649 263: ok 33650 263: ok 33651 263: ok 33652 263: ok 33653 263: ok 33654 263: ok 33655 263: ok 33656 263: ok 33657 263: ok 33658 263: ok 33659 263: ok 33660 263: ok 33661 263: ok 33662 263: ok 33663 263: ok 33664 263: ok 33665 263: ok 33666 263: ok 33667 263: ok 33668 263: ok 33669 263: ok 33670 263: ok 33671 263: ok 33672 263: ok 33673 263: ok 33674 263: ok 33675 263: ok 33676 263: ok 33677 263: ok 33678 263: ok 33679 263: ok 33680 263: ok 33681 263: ok 33682 263: ok 33683 263: ok 33684 263: ok 33685 263: ok 33686 263: ok 33687 263: ok 33688 263: ok 33689 263: ok 33690 263: ok 33691 263: ok 33692 263: ok 33693 263: ok 33694 263: ok 33695 263: ok 33696 263: ok 33697 263: ok 33698 263: ok 33699 263: ok 33700 263: ok 33701 263: ok 33702 263: ok 33703 263: ok 33704 263: ok 33705 263: ok 33706 263: ok 33707 263: ok 33708 263: ok 33709 263: ok 33710 263: ok 33711 263: ok 33712 263: ok 33713 263: ok 33714 263: ok 33715 263: ok 33716 263: ok 33717 263: ok 33718 263: ok 33719 263: ok 33720 263: ok 33721 263: ok 33722 263: ok 33723 263: ok 33724 263: ok 33725 263: ok 33726 263: ok 33727 263: ok 33728 263: ok 33729 263: ok 33730 263: ok 33731 263: ok 33732 263: ok 33733 263: ok 33734 263: ok 33735 263: ok 33736 263: ok 33737 263: ok 33738 263: ok 33739 263: ok 33740 263: ok 33741 263: ok 33742 263: ok 33743 263: ok 33744 263: ok 33745 263: ok 33746 263: ok 33747 263: ok 33748 263: ok 33749 263: ok 33750 263: ok 33751 263: ok 33752 263: ok 33753 263: ok 33754 263: ok 33755 263: ok 33756 263: ok 33757 263: ok 33758 263: ok 33759 263: ok 33760 263: ok 33761 263: ok 33762 263: ok 33763 263: ok 33764 263: ok 33765 263: ok 33766 263: ok 33767 263: ok 33768 263: ok 33769 263: ok 33770 263: ok 33771 263: ok 33772 263: ok 33773 263: ok 33774 263: ok 33775 263: ok 33776 263: ok 33777 263: ok 33778 263: ok 33779 263: ok 33780 263: ok 33781 263: ok 33782 263: ok 33783 263: ok 33784 263: ok 33785 263: ok 33786 263: ok 33787 263: ok 33788 263: ok 33789 263: ok 33790 263: ok 33791 263: ok 33792 263: ok 33793 263: ok 33794 263: ok 33795 263: ok 33796 263: ok 33797 263: ok 33798 263: ok 33799 263: ok 33800 263: ok 33801 263: ok 33802 263: ok 33803 263: ok 33804 263: ok 33805 263: ok 33806 263: ok 33807 263: ok 33808 263: ok 33809 263: ok 33810 263: ok 33811 263: ok 33812 263: ok 33813 263: ok 33814 263: ok 33815 263: ok 33816 263: ok 33817 263: ok 33818 263: ok 33819 263: ok 33820 263: ok 33821 263: ok 33822 263: ok 33823 263: ok 33824 263: ok 33825 263: ok 33826 263: ok 33827 263: ok 33828 263: ok 33829 263: ok 33830 263: ok 33831 263: ok 33832 263: ok 33833 263: ok 33834 263: ok 33835 263: ok 33836 263: ok 33837 263: ok 33838 263: ok 33839 263: ok 33840 263: ok 33841 263: ok 33842 263: ok 33843 263: ok 33844 263: ok 33845 263: ok 33846 263: ok 33847 263: ok 33848 263: ok 33849 263: ok 33850 263: ok 33851 263: ok 33852 263: ok 33853 263: ok 33854 263: ok 33855 263: ok 33856 263: ok 33857 263: ok 33858 263: ok 33859 263: ok 33860 263: ok 33861 263: ok 33862 263: ok 33863 263: ok 33864 263: ok 33865 263: ok 33866 263: ok 33867 263: ok 33868 263: ok 33869 263: ok 33870 263: ok 33871 263: ok 33872 263: ok 33873 263: ok 33874 263: ok 33875 263: ok 33876 263: ok 33877 263: ok 33878 263: ok 33879 263: ok 33880 263: ok 33881 263: ok 33882 263: ok 33883 263: ok 33884 263: ok 33885 263: ok 33886 263: ok 33887 263: ok 33888 263: ok 33889 263: ok 33890 263: ok 33891 263: ok 33892 263: ok 33893 263: ok 33894 263: ok 33895 263: ok 33896 263: ok 33897 263: ok 33898 263: ok 33899 263: ok 33900 263: ok 33901 263: ok 33902 263: ok 33903 263: ok 33904 263: ok 33905 263: ok 33906 263: ok 33907 263: ok 33908 263: ok 33909 263: ok 33910 263: ok 33911 263: ok 33912 263: ok 33913 263: ok 33914 263: ok 33915 263: ok 33916 263: ok 33917 263: ok 33918 263: ok 33919 263: ok 33920 263: ok 33921 263: ok 33922 263: ok 33923 263: ok 33924 263: ok 33925 263: ok 33926 263: ok 33927 263: ok 33928 263: ok 33929 263: ok 33930 263: ok 33931 263: ok 33932 263: ok 33933 263: ok 33934 263: ok 33935 263: ok 33936 263: ok 33937 263: ok 33938 263: ok 33939 263: ok 33940 263: ok 33941 263: ok 33942 263: ok 33943 263: ok 33944 263: ok 33945 263: ok 33946 263: ok 33947 263: ok 33948 263: ok 33949 263: ok 33950 263: ok 33951 263: ok 33952 263: ok 33953 263: ok 33954 263: ok 33955 263: ok 33956 263: ok 33957 263: ok 33958 263: ok 33959 263: ok 33960 263: ok 33961 263: ok 33962 263: ok 33963 263: ok 33964 263: ok 33965 263: ok 33966 263: ok 33967 263: ok 33968 263: ok 33969 263: ok 33970 263: ok 33971 263: ok 33972 263: ok 33973 263: ok 33974 263: ok 33975 263: ok 33976 263: ok 33977 263: ok 33978 263: ok 33979 263: ok 33980 263: ok 33981 263: ok 33982 263: ok 33983 263: ok 33984 263: ok 33985 263: ok 33986 263: ok 33987 263: ok 33988 263: ok 33989 263: ok 33990 263: ok 33991 263: ok 33992 263: ok 33993 263: ok 33994 263: ok 33995 263: ok 33996 263: ok 33997 263: ok 33998 263: ok 33999 263: ok 34000 263: ok 34001 263: ok 34002 263: ok 34003 263: ok 34004 263: ok 34005 263: ok 34006 263: ok 34007 263: ok 34008 263: ok 34009 263: ok 34010 263: ok 34011 263: ok 34012 263: ok 34013 263: ok 34014 263: ok 34015 263: ok 34016 263: ok 34017 263: ok 34018 263: ok 34019 263: ok 34020 263: ok 34021 263: ok 34022 263: ok 34023 263: ok 34024 263: ok 34025 263: ok 34026 263: ok 34027 263: ok 34028 263: ok 34029 263: ok 34030 263: ok 34031 263: ok 34032 263: ok 34033 263: ok 34034 263: ok 34035 263: ok 34036 263: ok 34037 263: ok 34038 263: ok 34039 263: ok 34040 263: ok 34041 263: ok 34042 263: ok 34043 263: ok 34044 263: ok 34045 263: ok 34046 263: ok 34047 263: ok 34048 263: ok 34049 263: ok 34050 263: ok 34051 263: ok 34052 263: ok 34053 263: ok 34054 263: ok 34055 263: ok 34056 263: ok 34057 263: ok 34058 263: ok 34059 263: ok 34060 263: ok 34061 263: ok 34062 263: ok 34063 263: ok 34064 263: ok 34065 263: ok 34066 263: ok 34067 263: ok 34068 263: ok 34069 263: ok 34070 263: ok 34071 263: ok 34072 263: ok 34073 263: ok 34074 263: ok 34075 263: ok 34076 263: ok 34077 263: ok 34078 263: ok 34079 263: ok 34080 263: ok 34081 263: ok 34082 263: ok 34083 263: ok 34084 263: ok 34085 263: ok 34086 263: ok 34087 263: ok 34088 263: ok 34089 263: ok 34090 263: ok 34091 263: ok 34092 263: ok 34093 263: ok 34094 263: ok 34095 263: ok 34096 263: ok 34097 263: ok 34098 263: ok 34099 263: ok 34100 263: ok 34101 263: ok 34102 263: ok 34103 263: ok 34104 263: ok 34105 263: ok 34106 263: ok 34107 263: ok 34108 263: ok 34109 263: ok 34110 263: ok 34111 263: ok 34112 263: ok 34113 263: ok 34114 263: ok 34115 263: ok 34116 263: ok 34117 263: ok 34118 263: ok 34119 263: ok 34120 263: ok 34121 263: ok 34122 263: ok 34123 263: ok 34124 263: ok 34125 263: ok 34126 263: ok 34127 263: ok 34128 263: ok 34129 263: ok 34130 263: ok 34131 263: ok 34132 263: ok 34133 263: ok 34134 263: ok 34135 263: ok 34136 263: ok 34137 263: ok 34138 263: ok 34139 263: ok 34140 263: ok 34141 263: ok 34142 263: ok 34143 263: ok 34144 263: ok 34145 263: ok 34146 263: ok 34147 263: ok 34148 263: ok 34149 263: ok 34150 263: ok 34151 263: ok 34152 263: ok 34153 263: ok 34154 263: ok 34155 263: ok 34156 263: ok 34157 263: ok 34158 263: ok 34159 263: ok 34160 263: ok 34161 263: ok 34162 263: ok 34163 263: ok 34164 263: ok 34165 263: ok 34166 263: ok 34167 263: ok 34168 263: ok 34169 263: ok 34170 263: ok 34171 263: ok 34172 263: ok 34173 263: ok 34174 263: ok 34175 263: ok 34176 263: ok 34177 263: ok 34178 263: ok 34179 263: ok 34180 263: ok 34181 263: ok 34182 263: ok 34183 263: ok 34184 263: ok 34185 263: ok 34186 263: ok 34187 263: ok 34188 263: ok 34189 263: ok 34190 263: ok 34191 263: ok 34192 263: ok 34193 263: ok 34194 263: ok 34195 263: ok 34196 263: ok 34197 263: ok 34198 263: ok 34199 263: ok 34200 263: ok 34201 263: ok 34202 263: ok 34203 263: ok 34204 263: ok 34205 263: ok 34206 263: ok 34207 263: ok 34208 263: ok 34209 263: ok 34210 263: ok 34211 263: ok 34212 263: ok 34213 263: ok 34214 263: ok 34215 263: ok 34216 263: ok 34217 263: ok 34218 263: ok 34219 263: ok 34220 263: ok 34221 263: ok 34222 263: ok 34223 263: ok 34224 263: ok 34225 263: ok 34226 263: ok 34227 263: ok 34228 263: ok 34229 263: ok 34230 263: ok 34231 263: ok 34232 263: ok 34233 263: ok 34234 263: ok 34235 263: ok 34236 263: ok 34237 263: ok 34238 263: ok 34239 263: ok 34240 263: ok 34241 263: ok 34242 263: ok 34243 263: ok 34244 263: ok 34245 263: ok 34246 263: ok 34247 263: ok 34248 263: ok 34249 263: ok 34250 263: ok 34251 263: ok 34252 263: ok 34253 263: ok 34254 263: ok 34255 263: ok 34256 263: ok 34257 263: ok 34258 263: ok 34259 263: ok 34260 263: ok 34261 263: ok 34262 263: ok 34263 263: ok 34264 263: ok 34265 263: ok 34266 263: ok 34267 263: ok 34268 263: ok 34269 263: ok 34270 263: ok 34271 263: ok 34272 263: ok 34273 263: ok 34274 263: ok 34275 263: ok 34276 263: ok 34277 263: ok 34278 263: ok 34279 263: ok 34280 263: ok 34281 263: ok 34282 263: ok 34283 263: ok 34284 263: ok 34285 263: ok 34286 263: ok 34287 263: ok 34288 263: ok 34289 263: ok 34290 263: ok 34291 263: ok 34292 263: ok 34293 263: ok 34294 263: ok 34295 263: ok 34296 263: ok 34297 263: ok 34298 263: ok 34299 263: ok 34300 263: ok 34301 263: ok 34302 263: ok 34303 263: ok 34304 263: ok 34305 263: ok 34306 263: ok 34307 263: ok 34308 263: ok 34309 263: ok 34310 263: ok 34311 263: ok 34312 263: ok 34313 263: ok 34314 263: ok 34315 263: ok 34316 263: ok 34317 263: ok 34318 263: ok 34319 263: ok 34320 263: ok 34321 263: ok 34322 263: ok 34323 263: ok 34324 263: ok 34325 263: ok 34326 263: ok 34327 263: ok 34328 263: ok 34329 263: ok 34330 263: ok 34331 263: ok 34332 263: ok 34333 263: ok 34334 263: ok 34335 263: ok 34336 263: ok 34337 263: ok 34338 263: ok 34339 263: ok 34340 263: ok 34341 263: ok 34342 263: ok 34343 263: ok 34344 263: ok 34345 263: ok 34346 263: ok 34347 263: ok 34348 263: ok 34349 263: ok 34350 263: ok 34351 263: ok 34352 263: ok 34353 263: ok 34354 263: ok 34355 263: ok 34356 263: ok 34357 263: ok 34358 263: ok 34359 263: ok 34360 263: ok 34361 263: ok 34362 263: ok 34363 263: ok 34364 263: ok 34365 263: ok 34366 263: ok 34367 263: ok 34368 263: ok 34369 263: ok 34370 263: ok 34371 263: ok 34372 263: ok 34373 263: ok 34374 263: ok 34375 263: ok 34376 263: ok 34377 263: ok 34378 263: ok 34379 263: ok 34380 263: ok 34381 263: ok 34382 263: ok 34383 263: ok 34384 263: ok 34385 263: ok 34386 263: ok 34387 263: ok 34388 263: ok 34389 263: ok 34390 263: ok 34391 263: ok 34392 263: ok 34393 263: ok 34394 263: ok 34395 263: ok 34396 263: ok 34397 263: ok 34398 263: ok 34399 263: ok 34400 263: ok 34401 263: ok 34402 263: ok 34403 263: ok 34404 263: ok 34405 263: ok 34406 263: ok 34407 263: ok 34408 263: ok 34409 263: ok 34410 263: ok 34411 263: ok 34412 263: ok 34413 263: ok 34414 263: ok 34415 263: ok 34416 263: ok 34417 263: ok 34418 263: ok 34419 263: ok 34420 263: ok 34421 263: ok 34422 263: ok 34423 263: ok 34424 263: ok 34425 263: ok 34426 263: ok 34427 263: ok 34428 263: ok 34429 263: ok 34430 263: ok 34431 263: ok 34432 263: ok 34433 263: ok 34434 263: ok 34435 263: ok 34436 263: ok 34437 263: ok 34438 263: ok 34439 263: ok 34440 263: ok 34441 263: ok 34442 263: ok 34443 263: ok 34444 263: ok 34445 263: ok 34446 263: ok 34447 263: ok 34448 263: ok 34449 263: ok 34450 263: ok 34451 263: ok 34452 263: ok 34453 263: ok 34454 263: ok 34455 263: ok 34456 263: ok 34457 263: ok 34458 263: ok 34459 263: ok 34460 263: ok 34461 263: ok 34462 263: ok 34463 263: ok 34464 263: ok 34465 263: ok 34466 263: ok 34467 263: ok 34468 263: ok 34469 263: ok 34470 263: ok 34471 263: ok 34472 263: ok 34473 263: ok 34474 263: ok 34475 263: ok 34476 263: ok 34477 263: ok 34478 263: ok 34479 263: ok 34480 263: ok 34481 263: ok 34482 263: ok 34483 263: ok 34484 263: ok 34485 263: ok 34486 263: ok 34487 263: ok 34488 263: ok 34489 263: ok 34490 263: ok 34491 263: ok 34492 263: ok 34493 263: ok 34494 263: ok 34495 263: ok 34496 263: ok 34497 263: ok 34498 263: ok 34499 263: ok 34500 263: ok 34501 263: ok 34502 263: ok 34503 263: ok 34504 263: ok 34505 263: ok 34506 263: ok 34507 263: ok 34508 263: ok 34509 263: ok 34510 263: ok 34511 263: ok 34512 263: ok 34513 263: ok 34514 263: ok 34515 263: ok 34516 263: ok 34517 263: ok 34518 263: ok 34519 263: ok 34520 263: ok 34521 263: ok 34522 263: ok 34523 263: ok 34524 263: ok 34525 263: ok 34526 263: ok 34527 263: ok 34528 263: ok 34529 263: ok 34530 263: ok 34531 263: ok 34532 263: ok 34533 263: ok 34534 263: ok 34535 263: ok 34536 263: ok 34537 263: ok 34538 263: ok 34539 263: ok 34540 263: ok 34541 263: ok 34542 263: ok 34543 263: ok 34544 263: ok 34545 263: ok 34546 263: ok 34547 263: ok 34548 263: ok 34549 263: ok 34550 263: ok 34551 263: ok 34552 263: ok 34553 263: ok 34554 263: ok 34555 263: ok 34556 263: ok 34557 263: ok 34558 263: ok 34559 263: ok 34560 263: ok 34561 263: ok 34562 263: ok 34563 263: ok 34564 263: ok 34565 263: ok 34566 263: ok 34567 263: ok 34568 263: ok 34569 263: ok 34570 263: ok 34571 263: ok 34572 263: ok 34573 263: ok 34574 263: ok 34575 263: ok 34576 263: ok 34577 263: ok 34578 263: ok 34579 263: ok 34580 263: ok 34581 263: ok 34582 263: ok 34583 263: ok 34584 263: ok 34585 263: ok 34586 263: ok 34587 263: ok 34588 263: ok 34589 263: ok 34590 263: ok 34591 263: ok 34592 263: ok 34593 263: ok 34594 263: ok 34595 263: ok 34596 263: ok 34597 263: ok 34598 263: ok 34599 263: ok 34600 263: ok 34601 263: ok 34602 263: ok 34603 263: ok 34604 263: ok 34605 263: ok 34606 263: ok 34607 263: ok 34608 263: ok 34609 263: ok 34610 263: ok 34611 263: ok 34612 263: ok 34613 263: ok 34614 263: ok 34615 263: ok 34616 263: ok 34617 263: ok 34618 263: ok 34619 263: ok 34620 263: ok 34621 263: ok 34622 263: ok 34623 263: ok 34624 263: ok 34625 263: ok 34626 263: ok 34627 263: ok 34628 263: ok 34629 263: ok 34630 263: ok 34631 263: ok 34632 263: ok 34633 263: ok 34634 263: ok 34635 263: ok 34636 263: ok 34637 263: ok 34638 263: ok 34639 263: ok 34640 263: ok 34641 263: ok 34642 263: ok 34643 263: ok 34644 263: ok 34645 263: ok 34646 263: ok 34647 263: ok 34648 263: ok 34649 263: ok 34650 263: ok 34651 263: ok 34652 263: ok 34653 263: ok 34654 263: ok 34655 263: ok 34656 263: ok 34657 263: ok 34658 263: ok 34659 263: ok 34660 263: ok 34661 263: ok 34662 263: ok 34663 263: ok 34664 263: ok 34665 263: ok 34666 263: ok 34667 263: ok 34668 263: ok 34669 263: ok 34670 263: ok 34671 263: ok 34672 263: ok 34673 263: ok 34674 263: ok 34675 263: ok 34676 263: ok 34677 263: ok 34678 263: ok 34679 263: ok 34680 263: ok 34681 263: ok 34682 263: ok 34683 263: ok 34684 263: ok 34685 263: ok 34686 263: ok 34687 263: ok 34688 263: ok 34689 263: ok 34690 263: ok 34691 263: ok 34692 263: ok 34693 263: ok 34694 263: ok 34695 263: ok 34696 263: ok 34697 263: ok 34698 263: ok 34699 263: ok 34700 263: ok 34701 263: ok 34702 263: ok 34703 263: ok 34704 263: ok 34705 263: ok 34706 263: ok 34707 263: ok 34708 263: ok 34709 263: ok 34710 263: ok 34711 263: ok 34712 263: ok 34713 263: ok 34714 263: ok 34715 263: ok 34716 263: ok 34717 263: ok 34718 263: ok 34719 263: ok 34720 263: ok 34721 263: ok 34722 263: ok 34723 263: ok 34724 263: ok 34725 263: ok 34726 263: ok 34727 263: ok 34728 263: ok 34729 263: ok 34730 263: ok 34731 263: ok 34732 263: ok 34733 263: ok 34734 263: ok 34735 263: ok 34736 263: ok 34737 263: ok 34738 263: ok 34739 263: ok 34740 263: ok 34741 263: ok 34742 263: ok 34743 263: ok 34744 263: ok 34745 263: ok 34746 263: ok 34747 263: ok 34748 263: ok 34749 263: ok 34750 263: ok 34751 263: ok 34752 263: ok 34753 263: ok 34754 263: ok 34755 263: ok 34756 263: ok 34757 263: ok 34758 263: ok 34759 263: ok 34760 263: ok 34761 263: ok 34762 263: ok 34763 263: ok 34764 263: ok 34765 263: ok 34766 263: ok 34767 263: ok 34768 263: ok 34769 263: ok 34770 263: ok 34771 263: ok 34772 263: ok 34773 263: ok 34774 263: ok 34775 263: ok 34776 263: ok 34777 263: ok 34778 263: ok 34779 263: ok 34780 263: ok 34781 263: ok 34782 263: ok 34783 263: ok 34784 263: ok 34785 263: ok 34786 263: ok 34787 263: ok 34788 263: ok 34789 263: ok 34790 263: ok 34791 263: ok 34792 263: ok 34793 263: ok 34794 263: ok 34795 263: ok 34796 263: ok 34797 263: ok 34798 263: ok 34799 263: ok 34800 263: ok 34801 263: ok 34802 263: ok 34803 263: ok 34804 263: ok 34805 263: ok 34806 263: ok 34807 263: ok 34808 263: ok 34809 263: ok 34810 263: ok 34811 263: ok 34812 263: ok 34813 263: ok 34814 263: ok 34815 263: ok 34816 263: ok 34817 263: ok 34818 263: ok 34819 263: ok 34820 263: ok 34821 263: ok 34822 263: ok 34823 263: ok 34824 263: ok 34825 263: ok 34826 263: ok 34827 263: ok 34828 263: ok 34829 263: ok 34830 263: ok 34831 263: ok 34832 263: ok 34833 263: ok 34834 263: ok 34835 263: ok 34836 263: ok 34837 263: ok 34838 263: ok 34839 263: ok 34840 263: ok 34841 263: ok 34842 263: ok 34843 263: ok 34844 263: ok 34845 263: ok 34846 263: ok 34847 263: ok 34848 263: ok 34849 263: ok 34850 263: ok 34851 263: ok 34852 263: ok 34853 263: ok 34854 263: ok 34855 263: ok 34856 263: ok 34857 263: ok 34858 263: ok 34859 263: ok 34860 263: ok 34861 263: ok 34862 263: ok 34863 263: ok 34864 263: ok 34865 263: ok 34866 263: ok 34867 263: ok 34868 263: ok 34869 263: ok 34870 263: ok 34871 263: ok 34872 263: ok 34873 263: ok 34874 263: ok 34875 263: ok 34876 263: ok 34877 263: ok 34878 263: ok 34879 263: ok 34880 263: ok 34881 263: ok 34882 263: ok 34883 263: ok 34884 263: ok 34885 263: ok 34886 263: ok 34887 263: ok 34888 263: ok 34889 263: ok 34890 263: ok 34891 263: ok 34892 263: ok 34893 263: ok 34894 263: ok 34895 263: ok 34896 263: ok 34897 263: ok 34898 263: ok 34899 263: ok 34900 263: ok 34901 263: ok 34902 263: ok 34903 263: ok 34904 263: ok 34905 263: ok 34906 263: ok 34907 263: ok 34908 263: ok 34909 263: ok 34910 263: ok 34911 263: ok 34912 263: ok 34913 263: ok 34914 263: ok 34915 263: ok 34916 263: ok 34917 263: ok 34918 263: ok 34919 263: ok 34920 263: ok 34921 263: ok 34922 263: ok 34923 263: ok 34924 263: ok 34925 263: ok 34926 263: ok 34927 263: ok 34928 263: ok 34929 263: ok 34930 263: ok 34931 263: ok 34932 263: ok 34933 263: ok 34934 263: ok 34935 263: ok 34936 263: ok 34937 263: ok 34938 263: ok 34939 263: ok 34940 263: ok 34941 263: ok 34942 263: ok 34943 263: ok 34944 263: ok 34945 263: ok 34946 263: ok 34947 263: ok 34948 263: ok 34949 263: ok 34950 263: ok 34951 263: ok 34952 263: ok 34953 263: ok 34954 263: ok 34955 263: ok 34956 263: ok 34957 263: ok 34958 263: ok 34959 263: ok 34960 263: ok 34961 263: ok 34962 263: ok 34963 263: ok 34964 263: ok 34965 263: ok 34966 263: ok 34967 263: ok 34968 263: ok 34969 263: ok 34970 263: ok 34971 263: ok 34972 263: ok 34973 263: ok 34974 263: ok 34975 263: ok 34976 263: ok 34977 263: ok 34978 263: ok 34979 263: ok 34980 263: ok 34981 263: ok 34982 263: ok 34983 263: ok 34984 263: ok 34985 263: ok 34986 263: ok 34987 263: ok 34988 263: ok 34989 263: ok 34990 263: ok 34991 263: ok 34992 263: ok 34993 263: ok 34994 263: ok 34995 263: ok 34996 263: ok 34997 263: ok 34998 263: ok 34999 263: ok 35000 263: ok 35001 263: ok 35002 263: ok 35003 263: ok 35004 263: ok 35005 263: ok 35006 263: ok 35007 263: ok 35008 263: ok 35009 263: ok 35010 263: ok 35011 263: ok 35012 263: ok 35013 263: ok 35014 263: ok 35015 263: ok 35016 263: ok 35017 263: ok 35018 263: ok 35019 263: ok 35020 263: ok 35021 263: ok 35022 263: ok 35023 263: ok 35024 263: ok 35025 263: ok 35026 263: ok 35027 263: ok 35028 263: ok 35029 263: ok 35030 263: ok 35031 263: ok 35032 263: ok 35033 263: ok 35034 263: ok 35035 263: ok 35036 263: ok 35037 263: ok 35038 263: ok 35039 263: ok 35040 263: ok 35041 263: ok 35042 263: ok 35043 263: ok 35044 263: ok 35045 263: ok 35046 263: ok 35047 263: ok 35048 263: ok 35049 263: ok 35050 263: ok 35051 263: ok 35052 263: ok 35053 263: ok 35054 263: ok 35055 263: ok 35056 263: ok 35057 263: ok 35058 263: ok 35059 263: ok 35060 263: ok 35061 263: ok 35062 263: ok 35063 263: ok 35064 263: ok 35065 263: ok 35066 263: ok 35067 263: ok 35068 263: ok 35069 263: ok 35070 263: ok 35071 263: ok 35072 263: ok 35073 263: ok 35074 263: ok 35075 263: ok 35076 263: ok 35077 263: ok 35078 263: ok 35079 263: ok 35080 263: ok 35081 263: ok 35082 263: ok 35083 263: ok 35084 263: ok 35085 263: ok 35086 263: ok 35087 263: ok 35088 263: ok 35089 263: ok 35090 263: ok 35091 263: ok 35092 263: ok 35093 263: ok 35094 263: ok 35095 263: ok 35096 263: ok 35097 263: ok 35098 263: ok 35099 263: ok 35100 263: ok 35101 263: ok 35102 263: ok 35103 263: ok 35104 263: ok 35105 263: ok 35106 263: ok 35107 263: ok 35108 263: ok 35109 263: ok 35110 263: ok 35111 263: ok 35112 263: ok 35113 263: ok 35114 263: ok 35115 263: ok 35116 263: ok 35117 263: ok 35118 263: ok 35119 263: ok 35120 263: ok 35121 263: ok 35122 263: ok 35123 263: ok 35124 263: ok 35125 263: ok 35126 263: ok 35127 263: ok 35128 263: ok 35129 263: ok 35130 263: ok 35131 263: ok 35132 263: ok 35133 263: ok 35134 263: ok 35135 263: ok 35136 263: ok 35137 263: ok 35138 263: ok 35139 263: ok 35140 263: ok 35141 263: ok 35142 263: ok 35143 263: ok 35144 263: ok 35145 263: ok 35146 263: ok 35147 263: ok 35148 263: ok 35149 263: ok 35150 263: ok 35151 263: ok 35152 263: ok 35153 263: ok 35154 263: ok 35155 263: ok 35156 263: ok 35157 263: ok 35158 263: ok 35159 263: ok 35160 263: ok 35161 263: ok 35162 263: ok 35163 263: ok 35164 263: ok 35165 263: ok 35166 263: ok 35167 263: ok 35168 263: ok 35169 263: ok 35170 263: ok 35171 263: ok 35172 263: ok 35173 263: ok 35174 263: ok 35175 263: ok 35176 263: ok 35177 263: ok 35178 263: ok 35179 263: ok 35180 263: ok 35181 263: ok 35182 263: ok 35183 263: ok 35184 263: ok 35185 263: ok 35186 263: ok 35187 263: ok 35188 263: ok 35189 263: ok 35190 263: ok 35191 263: ok 35192 263: ok 35193 263: ok 35194 263: ok 35195 263: ok 35196 263: ok 35197 263: ok 35198 263: ok 35199 263: ok 35200 263: ok 35201 263: ok 35202 263: ok 35203 263: ok 35204 263: ok 35205 263: ok 35206 263: ok 35207 263: ok 35208 263: ok 35209 263: ok 35210 263: ok 35211 263: ok 35212 263: ok 35213 263: ok 35214 263: ok 35215 263: ok 35216 263: ok 35217 263: ok 35218 263: ok 35219 263: ok 35220 263: ok 35221 263: ok 35222 263: ok 35223 263: ok 35224 263: ok 35225 263: ok 35226 263: ok 35227 263: ok 35228 263: ok 35229 263: ok 35230 263: ok 35231 263: ok 35232 263: ok 35233 263: ok 35234 263: ok 35235 263: ok 35236 263: ok 35237 263: ok 35238 263: ok 35239 263: ok 35240 263: ok 35241 263: ok 35242 263: ok 35243 263: ok 35244 263: ok 35245 263: ok 35246 263: ok 35247 263: ok 35248 263: ok 35249 263: ok 35250 263: ok 35251 263: ok 35252 263: ok 35253 263: ok 35254 263: ok 35255 263: ok 35256 263: ok 35257 263: ok 35258 263: ok 35259 263: ok 35260 263: ok 35261 263: ok 35262 263: ok 35263 263: ok 35264 263: ok 35265 263: ok 35266 263: ok 35267 263: ok 35268 263: ok 35269 263: ok 35270 263: ok 35271 263: ok 35272 263: ok 35273 263: ok 35274 263: ok 35275 263: ok 35276 263: ok 35277 263: ok 35278 263: ok 35279 263: ok 35280 263: ok 35281 263: ok 35282 263: ok 35283 263: ok 35284 263: ok 35285 263: ok 35286 263: ok 35287 263: ok 35288 263: ok 35289 263: ok 35290 263: ok 35291 263: ok 35292 263: ok 35293 263: ok 35294 263: ok 35295 263: ok 35296 263: ok 35297 263: ok 35298 263: ok 35299 263: ok 35300 263: ok 35301 263: ok 35302 263: ok 35303 263: ok 35304 263: ok 35305 263: ok 35306 263: ok 35307 263: ok 35308 263: ok 35309 263: ok 35310 263: ok 35311 263: ok 35312 263: ok 35313 263: ok 35314 263: ok 35315 263: ok 35316 263: ok 35317 263: ok 35318 263: ok 35319 263: ok 35320 263: ok 35321 263: ok 35322 263: ok 35323 263: ok 35324 263: ok 35325 263: ok 35326 263: ok 35327 263: ok 35328 263: ok 35329 263: ok 35330 263: ok 35331 263: ok 35332 263: ok 35333 263: ok 35334 263: ok 35335 263: ok 35336 263: ok 35337 263: ok 35338 263: ok 35339 263: ok 35340 263: ok 35341 263: ok 35342 263: ok 35343 263: ok 35344 263: ok 35345 263: ok 35346 263: ok 35347 263: ok 35348 263: ok 35349 263: ok 35350 263: ok 35351 263: ok 35352 263: ok 35353 263: ok 35354 263: ok 35355 263: ok 35356 263: ok 35357 263: ok 35358 263: ok 35359 263: ok 35360 263: ok 35361 263: ok 35362 263: ok 35363 263: ok 35364 263: ok 35365 263: ok 35366 263: ok 35367 263: ok 35368 263: ok 35369 263: ok 35370 263: ok 35371 263: ok 35372 263: ok 35373 263: ok 35374 263: ok 35375 263: ok 35376 263: ok 35377 263: ok 35378 263: ok 35379 263: ok 35380 263: ok 35381 263: ok 35382 263: ok 35383 263: ok 35384 263: ok 35385 263: ok 35386 263: ok 35387 263: ok 35388 263: ok 35389 263: ok 35390 263: ok 35391 263: ok 35392 263: ok 35393 263: ok 35394 263: ok 35395 263: ok 35396 263: ok 35397 263: ok 35398 263: ok 35399 263: ok 35400 263: ok 35401 263: ok 35402 263: ok 35403 263: ok 35404 263: ok 35405 263: ok 35406 263: ok 35407 263: ok 35408 263: ok 35409 263: ok 35410 263: ok 35411 263: ok 35412 263: ok 35413 263: ok 35414 263: ok 35415 263: ok 35416 263: ok 35417 263: ok 35418 263: ok 35419 263: ok 35420 263: ok 35421 263: ok 35422 263: ok 35423 263: ok 35424 263: ok 35425 263: ok 35426 263: ok 35427 263: ok 35428 263: ok 35429 263: ok 35430 263: ok 35431 263: ok 35432 263: ok 35433 263: ok 35434 263: ok 35435 263: ok 35436 263: ok 35437 263: ok 35438 263: ok 35439 263: ok 35440 263: ok 35441 263: ok 35442 263: ok 35443 263: ok 35444 263: ok 35445 263: ok 35446 263: ok 35447 263: ok 35448 263: ok 35449 263: ok 35450 263: ok 35451 263: ok 35452 263: ok 35453 263: ok 35454 263: ok 35455 263: ok 35456 263: ok 35457 263: ok 35458 263: ok 35459 263: ok 35460 263: ok 35461 263: ok 35462 263: ok 35463 263: ok 35464 263: ok 35465 263: ok 35466 263: ok 35467 263: ok 35468 263: ok 35469 263: ok 35470 263: ok 35471 263: ok 35472 263: ok 35473 263: ok 35474 263: ok 35475 263: ok 35476 263: ok 35477 263: ok 35478 263: ok 35479 263: ok 35480 263: ok 35481 263: ok 35482 263: ok 35483 263: ok 35484 263: ok 35485 263: ok 35486 263: ok 35487 263: ok 35488 263: ok 35489 263: ok 35490 263: ok 35491 263: ok 35492 263: ok 35493 263: ok 35494 263: ok 35495 263: ok 35496 263: ok 35497 263: ok 35498 263: ok 35499 263: ok 35500 263: ok 35501 263: ok 35502 263: ok 35503 263: ok 35504 263: ok 35505 263: ok 35506 263: ok 35507 263: ok 35508 263: ok 35509 263: ok 35510 263: ok 35511 263: ok 35512 263: ok 35513 263: ok 35514 263: ok 35515 263: ok 35516 263: ok 35517 263: ok 35518 263: ok 35519 263: ok 35520 263: ok 35521 263: ok 35522 263: ok 35523 263: ok 35524 263: ok 35525 263: ok 35526 263: ok 35527 263: ok 35528 263: ok 35529 263: ok 35530 263: ok 35531 263: ok 35532 263: ok 35533 263: ok 35534 263: ok 35535 263: ok 35536 263: ok 35537 263: ok 35538 263: ok 35539 263: ok 35540 263: ok 35541 263: ok 35542 263: ok 35543 263: ok 35544 263: ok 35545 263: ok 35546 263: ok 35547 263: ok 35548 263: ok 35549 263: ok 35550 263: ok 35551 263: ok 35552 263: ok 35553 263: ok 35554 263: ok 35555 263: ok 35556 263: ok 35557 263: ok 35558 263: ok 35559 263: ok 35560 263: ok 35561 263: ok 35562 263: ok 35563 263: ok 35564 263: ok 35565 263: ok 35566 263: ok 35567 263: ok 35568 263: ok 35569 263: ok 35570 263: ok 35571 263: ok 35572 263: ok 35573 263: ok 35574 263: ok 35575 263: ok 35576 263: ok 35577 263: ok 35578 263: ok 35579 263: ok 35580 263: ok 35581 263: ok 35582 263: ok 35583 263: ok 35584 263: ok 35585 263: ok 35586 263: ok 35587 263: ok 35588 263: ok 35589 263: ok 35590 263: ok 35591 263: ok 35592 263: ok 35593 263: ok 35594 263: ok 35595 263: ok 35596 263: ok 35597 263: ok 35598 263: ok 35599 263: ok 35600 263: ok 35601 263: ok 35602 263: ok 35603 263: ok 35604 263: ok 35605 263: ok 35606 263: ok 35607 263: ok 35608 263: ok 35609 263: ok 35610 263: ok 35611 263: ok 35612 263: ok 35613 263: ok 35614 263: ok 35615 263: ok 35616 263: ok 35617 263: ok 35618 263: ok 35619 263: ok 35620 263: ok 35621 263: ok 35622 263: ok 35623 263: ok 35624 263: ok 35625 263: ok 35626 263: ok 35627 263: ok 35628 263: ok 35629 263: ok 35630 263: ok 35631 263: ok 35632 263: ok 35633 263: ok 35634 263: ok 35635 263: ok 35636 263: ok 35637 263: ok 35638 263: ok 35639 263: ok 35640 263: ok 35641 263: ok 35642 263: ok 35643 263: ok 35644 263: ok 35645 263: ok 35646 263: ok 35647 263: ok 35648 263: ok 35649 263: ok 35650 263: ok 35651 263: ok 35652 263: ok 35653 263: ok 35654 263: ok 35655 263: ok 35656 263: ok 35657 263: ok 35658 263: ok 35659 263: ok 35660 263: ok 35661 263: ok 35662 263: ok 35663 263: ok 35664 263: ok 35665 263: ok 35666 263: ok 35667 263: ok 35668 263: ok 35669 263: ok 35670 263: ok 35671 263: ok 35672 263: ok 35673 263: ok 35674 263: ok 35675 263: ok 35676 263: ok 35677 263: ok 35678 263: ok 35679 263: ok 35680 263: ok 35681 263: ok 35682 263: ok 35683 263: ok 35684 263: ok 35685 263: ok 35686 263: ok 35687 263: ok 35688 263: ok 35689 263: ok 35690 263: ok 35691 263: ok 35692 263: ok 35693 263: ok 35694 263: ok 35695 263: ok 35696 263: ok 35697 263: ok 35698 263: ok 35699 263: ok 35700 263: ok 35701 263: ok 35702 263: ok 35703 263: ok 35704 263: ok 35705 263: ok 35706 263: ok 35707 263: ok 35708 263: ok 35709 263: ok 35710 263: ok 35711 263: ok 35712 263: ok 35713 263: ok 35714 263: ok 35715 263: ok 35716 263: ok 35717 263: ok 35718 263: ok 35719 263: ok 35720 263: ok 35721 263: ok 35722 263: ok 35723 263: ok 35724 263: ok 35725 263: ok 35726 263: ok 35727 263: ok 35728 263: ok 35729 263: ok 35730 263: ok 35731 263: ok 35732 263: ok 35733 263: ok 35734 263: ok 35735 263: ok 35736 263: ok 35737 263: ok 35738 263: ok 35739 263: ok 35740 263: ok 35741 263: ok 35742 263: ok 35743 263: ok 35744 263: ok 35745 263: ok 35746 263: ok 35747 263: ok 35748 263: ok 35749 263: ok 35750 263: ok 35751 263: ok 35752 263: ok 35753 263: ok 35754 263: ok 35755 263: ok 35756 263: ok 35757 263: ok 35758 263: ok 35759 263: ok 35760 263: ok 35761 263: ok 35762 263: ok 35763 263: ok 35764 263: ok 35765 263: ok 35766 263: ok 35767 263: ok 35768 263: ok 35769 263: ok 35770 263: ok 35771 263: ok 35772 263: ok 35773 263: ok 35774 263: ok 35775 263: ok 35776 263: ok 35777 263: ok 35778 263: ok 35779 263: ok 35780 263: ok 35781 263: ok 35782 263: ok 35783 263: ok 35784 263: ok 35785 263: ok 35786 263: ok 35787 263: ok 35788 263: ok 35789 263: ok 35790 263: ok 35791 263: ok 35792 263: ok 35793 263: ok 35794 263: ok 35795 263: ok 35796 263: ok 35797 263: ok 35798 263: ok 35799 263: ok 35800 263: ok 35801 263: ok 35802 263: ok 35803 263: ok 35804 263: ok 35805 263: ok 35806 263: ok 35807 263: ok 35808 263: ok 35809 263: ok 35810 263: ok 35811 263: ok 35812 263: ok 35813 263: ok 35814 263: ok 35815 263: ok 35816 263: ok 35817 263: ok 35818 263: ok 35819 263: ok 35820 263: ok 35821 263: ok 35822 263: ok 35823 263: ok 35824 263: ok 35825 263: ok 35826 263: ok 35827 263: ok 35828 263: ok 35829 263: ok 35830 263: ok 35831 263: ok 35832 263: ok 35833 263: ok 35834 263: ok 35835 263: ok 35836 263: ok 35837 263: ok 35838 263: ok 35839 263: ok 35840 263: ok 35841 263: ok 35842 263: ok 35843 263: ok 35844 263: ok 35845 263: ok 35846 263: ok 35847 263: ok 35848 263: ok 35849 263: ok 35850 263: ok 35851 263: ok 35852 263: ok 35853 263: ok 35854 263: ok 35855 263: ok 35856 263: ok 35857 263: ok 35858 263: ok 35859 263: ok 35860 263: ok 35861 263: ok 35862 263: ok 35863 263: ok 35864 263: ok 35865 263: ok 35866 263: ok 35867 263: ok 35868 263: ok 35869 263: ok 35870 263: ok 35871 263: ok 35872 263: ok 35873 263: ok 35874 263: ok 35875 263: ok 35876 263: ok 35877 263: ok 35878 263: ok 35879 263: ok 35880 263: ok 35881 263: ok 35882 263: ok 35883 263: ok 35884 263: ok 35885 263: ok 35886 263: ok 35887 263: ok 35888 263: ok 35889 263: ok 35890 263: ok 35891 263: ok 35892 263: ok 35893 263: ok 35894 263: ok 35895 263: ok 35896 263: ok 35897 263: ok 35898 263: ok 35899 263: ok 35900 263: ok 35901 263: ok 35902 263: ok 35903 263: ok 35904 263: ok 35905 263: ok 35906 263: ok 35907 263: ok 35908 263: ok 35909 263: ok 35910 263: ok 35911 263: ok 35912 263: ok 35913 263: ok 35914 263: ok 35915 263: ok 35916 263: ok 35917 263: ok 35918 263: ok 35919 263: ok 35920 263: ok 35921 263: ok 35922 263: ok 35923 263: ok 35924 263: ok 35925 263: ok 35926 263: ok 35927 263: ok 35928 263: ok 35929 263: ok 35930 263: ok 35931 263: ok 35932 263: ok 35933 263: ok 35934 263: ok 35935 263: ok 35936 263: ok 35937 263: ok 35938 263: ok 35939 263: ok 35940 263: ok 35941 263: ok 35942 263: ok 35943 263: ok 35944 263: ok 35945 263: ok 35946 263: ok 35947 263: ok 35948 263: ok 35949 263: ok 35950 263: ok 35951 263: ok 35952 263: ok 35953 263: ok 35954 263: ok 35955 263: ok 35956 263: ok 35957 263: ok 35958 263: ok 35959 263: ok 35960 263: ok 35961 263: ok 35962 263: ok 35963 263: ok 35964 263: ok 35965 263: ok 35966 263: ok 35967 263: ok 35968 263: ok 35969 263: ok 35970 263: ok 35971 263: ok 35972 263: ok 35973 263: ok 35974 263: ok 35975 263: ok 35976 263: ok 35977 263: ok 35978 263: ok 35979 263: ok 35980 263: ok 35981 263: ok 35982 263: ok 35983 263: ok 35984 263: ok 35985 263: ok 35986 263: ok 35987 263: ok 35988 263: ok 35989 263: ok 35990 263: ok 35991 263: ok 35992 263: ok 35993 263: ok 35994 263: ok 35995 263: ok 35996 263: ok 35997 263: ok 35998 263: ok 35999 263: ok 36000 263: ok 36001 263: ok 36002 263: ok 36003 263: ok 36004 263: ok 36005 263: ok 36006 263: ok 36007 263: ok 36008 263: ok 36009 263: ok 36010 263: ok 36011 263: ok 36012 263: ok 36013 263: ok 36014 263: ok 36015 263: ok 36016 263: ok 36017 263: ok 36018 263: ok 36019 263: ok 36020 263: ok 36021 263: ok 36022 263: ok 36023 263: ok 36024 263: ok 36025 263: ok 36026 263: ok 36027 263: ok 36028 263: ok 36029 263: ok 36030 263: ok 36031 263: ok 36032 263: ok 36033 263: ok 36034 263: ok 36035 263: ok 36036 263: ok 36037 263: ok 36038 263: ok 36039 263: ok 36040 263: ok 36041 263: ok 36042 263: ok 36043 263: ok 36044 263: ok 36045 263: ok 36046 263: ok 36047 263: ok 36048 263: ok 36049 263: ok 36050 263: ok 36051 263: ok 36052 263: ok 36053 263: ok 36054 263: ok 36055 263: ok 36056 263: ok 36057 263: ok 36058 263: ok 36059 263: ok 36060 263: ok 36061 263: ok 36062 263: ok 36063 263: ok 36064 263: ok 36065 263: ok 36066 263: ok 36067 263: ok 36068 263: ok 36069 263: ok 36070 263: ok 36071 263: ok 36072 263: ok 36073 263: ok 36074 263: ok 36075 263: ok 36076 263: ok 36077 263: ok 36078 263: ok 36079 263: ok 36080 263: ok 36081 263: ok 36082 263: ok 36083 263: ok 36084 263: ok 36085 263: ok 36086 263: ok 36087 263: ok 36088 263: ok 36089 263: ok 36090 263: ok 36091 263: ok 36092 263: ok 36093 263: ok 36094 263: ok 36095 263: ok 36096 263: ok 36097 263: ok 36098 263: ok 36099 263: ok 36100 263: ok 36101 263: ok 36102 263: ok 36103 263: ok 36104 263: ok 36105 263: ok 36106 263: ok 36107 263: ok 36108 263: ok 36109 263: ok 36110 263: ok 36111 263: ok 36112 263: ok 36113 263: ok 36114 263: ok 36115 263: ok 36116 263: ok 36117 263: ok 36118 263: ok 36119 263: ok 36120 263: ok 36121 263: ok 36122 263: ok 36123 263: ok 36124 263: ok 36125 263: ok 36126 263: ok 36127 263: ok 36128 263: ok 36129 263: ok 36130 263: ok 36131 263: ok 36132 263: ok 36133 263: ok 36134 263: ok 36135 263: ok 36136 263: ok 36137 263: ok 36138 263: ok 36139 263: ok 36140 263: ok 36141 263: ok 36142 263: ok 36143 263: ok 36144 263: ok 36145 263: ok 36146 263: ok 36147 263: ok 36148 263: ok 36149 263: ok 36150 263: ok 36151 263: ok 36152 263: ok 36153 263: ok 36154 263: ok 36155 263: ok 36156 263: ok 36157 263: ok 36158 263: ok 36159 263: ok 36160 263: ok 36161 263: ok 36162 263: ok 36163 263: ok 36164 263: ok 36165 263: ok 36166 263: ok 36167 263: ok 36168 263: ok 36169 263: ok 36170 263: ok 36171 263: ok 36172 263: ok 36173 263: ok 36174 263: ok 36175 263: ok 36176 263: ok 36177 263: ok 36178 263: ok 36179 263: ok 36180 263: ok 36181 263: ok 36182 263: ok 36183 263: ok 36184 263: ok 36185 263: ok 36186 263: ok 36187 263: ok 36188 263: ok 36189 263: ok 36190 263: ok 36191 263: ok 36192 263: ok 36193 263: ok 36194 263: ok 36195 263: ok 36196 263: ok 36197 263: ok 36198 263: ok 36199 263: ok 36200 263: ok 36201 263: ok 36202 263: ok 36203 263: ok 36204 263: ok 36205 263: ok 36206 263: ok 36207 263: ok 36208 263: ok 36209 263: ok 36210 263: ok 36211 263: ok 36212 263: ok 36213 263: ok 36214 263: ok 36215 263: ok 36216 263: ok 36217 263: ok 36218 263: ok 36219 263: ok 36220 263: ok 36221 263: ok 36222 263: ok 36223 263: ok 36224 263: ok 36225 263: ok 36226 263: ok 36227 263: ok 36228 263: ok 36229 263: ok 36230 263: ok 36231 263: ok 36232 263: ok 36233 263: ok 36234 263: ok 36235 263: ok 36236 263: ok 36237 263: ok 36238 263: ok 36239 263: ok 36240 263: ok 36241 263: ok 36242 263: ok 36243 263: ok 36244 263: ok 36245 263: ok 36246 263: ok 36247 263: ok 36248 263: ok 36249 263: ok 36250 263: ok 36251 263: ok 36252 263: ok 36253 263: ok 36254 263: ok 36255 263: ok 36256 263: ok 36257 263: ok 36258 263: ok 36259 263: ok 36260 263: ok 36261 263: ok 36262 263: ok 36263 263: ok 36264 263: ok 36265 263: ok 36266 263: ok 36267 263: ok 36268 263: ok 36269 263: ok 36270 263: ok 36271 263: ok 36272 263: ok 36273 263: ok 36274 263: ok 36275 263: ok 36276 263: ok 36277 263: ok 36278 263: ok 36279 263: ok 36280 263: ok 36281 263: ok 36282 263: ok 36283 263: ok 36284 263: ok 36285 263: ok 36286 263: ok 36287 263: ok 36288 263: ok 36289 263: ok 36290 263: ok 36291 263: ok 36292 263: ok 36293 263: ok 36294 263: ok 36295 263: ok 36296 263: ok 36297 263: ok 36298 263: ok 36299 263: ok 36300 263: ok 36301 263: ok 36302 263: ok 36303 263: ok 36304 263: ok 36305 263: ok 36306 263: ok 36307 263: ok 36308 263: ok 36309 263: ok 36310 263: ok 36311 263: ok 36312 263: ok 36313 263: ok 36314 263: ok 36315 263: ok 36316 263: ok 36317 263: ok 36318 263: ok 36319 263: ok 36320 263: ok 36321 263: ok 36322 263: ok 36323 263: ok 36324 263: ok 36325 263: ok 36326 263: ok 36327 263: ok 36328 263: ok 36329 263: ok 36330 263: ok 36331 263: ok 36332 263: ok 36333 263: ok 36334 263: ok 36335 263: ok 36336 263: ok 36337 263: ok 36338 263: ok 36339 263: ok 36340 263: ok 36341 263: ok 36342 263: ok 36343 263: ok 36344 263: ok 36345 263: ok 36346 263: ok 36347 263: ok 36348 263: ok 36349 263: ok 36350 263: ok 36351 263: ok 36352 263: ok 36353 263: ok 36354 263: ok 36355 263: ok 36356 263: ok 36357 263: ok 36358 263: ok 36359 263: ok 36360 263: ok 36361 263: ok 36362 263: ok 36363 263: ok 36364 263: ok 36365 263: ok 36366 263: ok 36367 263: ok 36368 263: ok 36369 263: ok 36370 263: ok 36371 263: ok 36372 263: ok 36373 263: ok 36374 263: ok 36375 263: ok 36376 263: ok 36377 263: ok 36378 263: ok 36379 263: ok 36380 263: ok 36381 263: ok 36382 263: ok 36383 263: ok 36384 263: ok 36385 263: ok 36386 263: ok 36387 263: ok 36388 263: ok 36389 263: ok 36390 263: ok 36391 263: ok 36392 263: ok 36393 263: ok 36394 263: ok 36395 263: ok 36396 263: ok 36397 263: ok 36398 263: ok 36399 263: ok 36400 263: ok 36401 263: ok 36402 263: ok 36403 263: ok 36404 263: ok 36405 263: ok 36406 263: ok 36407 263: ok 36408 263: ok 36409 263: ok 36410 263: ok 36411 263: ok 36412 263: ok 36413 263: ok 36414 263: ok 36415 263: ok 36416 263: ok 36417 263: ok 36418 263: ok 36419 263: ok 36420 263: ok 36421 263: ok 36422 263: ok 36423 263: ok 36424 263: ok 36425 263: ok 36426 263: ok 36427 263: ok 36428 263: ok 36429 263: ok 36430 263: ok 36431 263: ok 36432 263: ok 36433 263: ok 36434 263: ok 36435 263: ok 36436 263: ok 36437 263: ok 36438 263: ok 36439 263: ok 36440 263: ok 36441 263: ok 36442 263: ok 36443 263: ok 36444 263: ok 36445 263: ok 36446 263: ok 36447 263: ok 36448 263: ok 36449 263: ok 36450 263: ok 36451 263: ok 36452 263: ok 36453 263: ok 36454 263: ok 36455 263: ok 36456 263: ok 36457 263: ok 36458 263: ok 36459 263: ok 36460 263: ok 36461 263: ok 36462 263: ok 36463 263: ok 36464 263: ok 36465 263: ok 36466 263: ok 36467 263: ok 36468 263: ok 36469 263: ok 36470 263: ok 36471 263: ok 36472 263: ok 36473 263: ok 36474 263: ok 36475 263: ok 36476 263: ok 36477 263: ok 36478 263: ok 36479 263: ok 36480 263: ok 36481 263: ok 36482 263: ok 36483 263: ok 36484 263: ok 36485 263: ok 36486 263: ok 36487 263: ok 36488 263: ok 36489 263: ok 36490 263: ok 36491 263: ok 36492 263: ok 36493 263: ok 36494 263: ok 36495 263: ok 36496 263: ok 36497 263: ok 36498 263: ok 36499 263: ok 36500 263: ok 36501 263: ok 36502 263: ok 36503 263: ok 36504 263: ok 36505 263: ok 36506 263: ok 36507 263: ok 36508 263: ok 36509 263: ok 36510 263: ok 36511 263: ok 36512 263: ok 36513 263: ok 36514 263: ok 36515 263: ok 36516 263: ok 36517 263: ok 36518 263: ok 36519 263: ok 36520 263: ok 36521 263: ok 36522 263: ok 36523 263: ok 36524 263: ok 36525 263: ok 36526 263: ok 36527 263: ok 36528 263: ok 36529 263: ok 36530 263: ok 36531 263: ok 36532 263: ok 36533 263: ok 36534 263: ok 36535 263: ok 36536 263: ok 36537 263: ok 36538 263: ok 36539 263: ok 36540 263: ok 36541 263: ok 36542 263: ok 36543 263: ok 36544 263: ok 36545 263: ok 36546 263: ok 36547 263: ok 36548 263: ok 36549 263: ok 36550 263: ok 36551 263: ok 36552 263: ok 36553 263: ok 36554 263: ok 36555 263: ok 36556 263: ok 36557 263: ok 36558 263: ok 36559 263: ok 36560 263: ok 36561 263: ok 36562 263: ok 36563 263: ok 36564 263: ok 36565 263: ok 36566 263: ok 36567 263: ok 36568 263: ok 36569 263: ok 36570 263: ok 36571 263: ok 36572 263: ok 36573 263: ok 36574 263: ok 36575 263: ok 36576 263: ok 36577 263: ok 36578 263: ok 36579 263: ok 36580 263: ok 36581 263: ok 36582 263: ok 36583 263: ok 36584 263: ok 36585 263: ok 36586 263: ok 36587 263: ok 36588 263: ok 36589 263: ok 36590 263: ok 36591 263: ok 36592 263: ok 36593 263: ok 36594 263: ok 36595 263: ok 36596 263: ok 36597 263: ok 36598 263: ok 36599 263: ok 36600 263: ok 36601 263: ok 36602 263: ok 36603 263: ok 36604 263: ok 36605 263: ok 36606 263: ok 36607 263: ok 36608 263: ok 36609 263: ok 36610 263: ok 36611 263: ok 36612 263: ok 36613 263: ok 36614 263: ok 36615 263: ok 36616 263: ok 36617 263: ok 36618 263: ok 36619 263: ok 36620 263: ok 36621 263: ok 36622 263: ok 36623 263: ok 36624 263: ok 36625 263: ok 36626 263: ok 36627 263: ok 36628 263: ok 36629 263: ok 36630 263: ok 36631 263: ok 36632 263: ok 36633 263: ok 36634 263: ok 36635 263: ok 36636 263: ok 36637 263: ok 36638 263: ok 36639 263: ok 36640 263: ok 36641 263: ok 36642 263: ok 36643 263: ok 36644 263: ok 36645 263: ok 36646 263: ok 36647 263: ok 36648 263: ok 36649 263: ok 36650 263: ok 36651 263: ok 36652 263: ok 36653 263: ok 36654 263: ok 36655 263: ok 36656 263: ok 36657 263: ok 36658 263: ok 36659 263: ok 36660 263: ok 36661 263: ok 36662 263: ok 36663 263: ok 36664 263: ok 36665 263: ok 36666 263: ok 36667 263: ok 36668 263: ok 36669 263: ok 36670 263: ok 36671 263: ok 36672 263: ok 36673 263: ok 36674 263: ok 36675 263: ok 36676 263: ok 36677 263: ok 36678 263: ok 36679 263: ok 36680 263: ok 36681 263: ok 36682 263: ok 36683 263: ok 36684 263: ok 36685 263: ok 36686 263: ok 36687 263: ok 36688 263: ok 36689 263: ok 36690 263: ok 36691 263: ok 36692 263: ok 36693 263: ok 36694 263: ok 36695 263: ok 36696 263: ok 36697 263: ok 36698 263: ok 36699 263: ok 36700 263: ok 36701 263: ok 36702 263: ok 36703 263: ok 36704 263: ok 36705 263: ok 36706 263: ok 36707 263: ok 36708 263: ok 36709 263: ok 36710 263: ok 36711 263: ok 36712 263: ok 36713 263: ok 36714 263: ok 36715 263: ok 36716 263: ok 36717 263: ok 36718 263: ok 36719 263: ok 36720 263: ok 36721 263: ok 36722 263: ok 36723 263: ok 36724 263: ok 36725 263: ok 36726 263: ok 36727 263: ok 36728 263: ok 36729 263: ok 36730 263: ok 36731 263: ok 36732 263: ok 36733 263: ok 36734 263: ok 36735 263: ok 36736 263: ok 36737 263: ok 36738 263: ok 36739 263: ok 36740 263: ok 36741 263: ok 36742 263: ok 36743 263: ok 36744 263: ok 36745 263: ok 36746 263: ok 36747 263: ok 36748 263: ok 36749 263: ok 36750 263: ok 36751 263: ok 36752 263: ok 36753 263: ok 36754 263: ok 36755 263: ok 36756 263: ok 36757 263: ok 36758 263: ok 36759 263: ok 36760 263: ok 36761 263: ok 36762 263: ok 36763 263: ok 36764 263: ok 36765 263: ok 36766 263: ok 36767 263: ok 36768 263: ok 36769 263: ok 36770 263: ok 36771 263: ok 36772 263: ok 36773 263: ok 36774 263: ok 36775 263: ok 36776 263: ok 36777 263: ok 36778 263: ok 36779 263: ok 36780 263: ok 36781 263: ok 36782 263: ok 36783 263: ok 36784 263: ok 36785 263: ok 36786 263: ok 36787 263: ok 36788 263: ok 36789 263: ok 36790 263: ok 36791 263: ok 36792 263: ok 36793 263: ok 36794 263: ok 36795 263: ok 36796 263: ok 36797 263: ok 36798 263: ok 36799 263: ok 36800 263: ok 36801 263: ok 36802 263: ok 36803 263: ok 36804 263: ok 36805 263: ok 36806 263: ok 36807 263: ok 36808 263: ok 36809 263: ok 36810 263: ok 36811 263: ok 36812 263: ok 36813 263: ok 36814 263: ok 36815 263: ok 36816 263: ok 36817 263: ok 36818 263: ok 36819 263: ok 36820 263: ok 36821 263: ok 36822 263: ok 36823 263: ok 36824 263: ok 36825 263: ok 36826 263: ok 36827 263: ok 36828 263: ok 36829 263: ok 36830 263: ok 36831 263: ok 36832 263: ok 36833 263: ok 36834 263: ok 36835 263: ok 36836 263: ok 36837 263: ok 36838 263: ok 36839 263: ok 36840 263: ok 36841 263: ok 36842 263: ok 36843 263: ok 36844 263: ok 36845 263: ok 36846 263: ok 36847 263: ok 36848 263: ok 36849 263: ok 36850 263: ok 36851 263: ok 36852 263: ok 36853 263: ok 36854 263: ok 36855 263: ok 36856 263: ok 36857 263: ok 36858 263: ok 36859 263: ok 36860 263: ok 36861 263: ok 36862 263: ok 36863 263: ok 36864 263: ok 36865 263: ok 36866 263: ok 36867 263: ok 36868 263: ok 36869 263: ok 36870 263: ok 36871 263: ok 36872 263: ok 36873 263: ok 36874 263: ok 36875 263: ok 36876 263: ok 36877 263: ok 36878 263: ok 36879 263: ok 36880 263: ok 36881 263: ok 36882 263: ok 36883 263: ok 36884 263: ok 36885 263: ok 36886 263: ok 36887 263: ok 36888 263: ok 36889 263: ok 36890 263: ok 36891 263: ok 36892 263: ok 36893 263: ok 36894 263: ok 36895 263: ok 36896 263: ok 36897 263: ok 36898 263: ok 36899 263: ok 36900 263: ok 36901 263: ok 36902 263: ok 36903 263: ok 36904 263: ok 36905 263: ok 36906 263: ok 36907 263: ok 36908 263: ok 36909 263: ok 36910 263: ok 36911 263: ok 36912 263: ok 36913 263: ok 36914 263: ok 36915 263: ok 36916 263: ok 36917 263: ok 36918 263: ok 36919 263: ok 36920 263: ok 36921 263: ok 36922 263: ok 36923 263: ok 36924 263: ok 36925 263: ok 36926 263: ok 36927 263: ok 36928 263: ok 36929 263: ok 36930 263: ok 36931 263: ok 36932 263: ok 36933 263: ok 36934 263: ok 36935 263: ok 36936 263: ok 36937 263: ok 36938 263: ok 36939 263: ok 36940 263: ok 36941 263: ok 36942 263: ok 36943 263: ok 36944 263: ok 36945 263: ok 36946 263: ok 36947 263: ok 36948 263: ok 36949 263: ok 36950 263: ok 36951 263: ok 36952 263: ok 36953 263: ok 36954 263: ok 36955 263: ok 36956 263: ok 36957 263: ok 36958 263: ok 36959 263: ok 36960 263: ok 36961 263: ok 36962 263: ok 36963 263: ok 36964 263: ok 36965 263: ok 36966 263: ok 36967 263: ok 36968 263: ok 36969 263: ok 36970 263: ok 36971 263: ok 36972 263: ok 36973 263: ok 36974 263: ok 36975 263: ok 36976 263: ok 36977 263: ok 36978 263: ok 36979 263: ok 36980 263: ok 36981 263: ok 36982 263: ok 36983 263: ok 36984 263: ok 36985 263: ok 36986 263: ok 36987 263: ok 36988 263: ok 36989 263: ok 36990 263: ok 36991 263: ok 36992 263: ok 36993 263: ok 36994 263: ok 36995 263: ok 36996 263: ok 36997 263: ok 36998 263: ok 36999 263: ok 37000 263: ok 37001 263: ok 37002 263: ok 37003 263: ok 37004 263: ok 37005 263: ok 37006 263: ok 37007 263: ok 37008 263: ok 37009 263: ok 37010 263: ok 37011 263: ok 37012 263: ok 37013 263: ok 37014 263: ok 37015 263: ok 37016 263: ok 37017 263: ok 37018 263: ok 37019 263: ok 37020 263: ok 37021 263: ok 37022 263: ok 37023 263: ok 37024 263: ok 37025 263: ok 37026 263: ok 37027 263: ok 37028 263: ok 37029 263: ok 37030 263: ok 37031 263: ok 37032 263: ok 37033 263: ok 37034 263: ok 37035 263: ok 37036 263: ok 37037 263: ok 37038 263: ok 37039 263: ok 37040 263: ok 37041 263: ok 37042 263: ok 37043 263: ok 37044 263: ok 37045 263: ok 37046 263: ok 37047 263: ok 37048 263: ok 37049 263: ok 37050 263: ok 37051 263: ok 37052 263: ok 37053 263: ok 37054 263: ok 37055 263: ok 37056 263: ok 37057 263: ok 37058 263: ok 37059 263: ok 37060 263: ok 37061 263: ok 37062 263: ok 37063 263: ok 37064 263: ok 37065 263: ok 37066 263: ok 37067 263: ok 37068 263: ok 37069 263: ok 37070 263: ok 37071 263: ok 37072 263: ok 37073 263: ok 37074 263: ok 37075 263: ok 37076 263: ok 37077 263: ok 37078 263: ok 37079 263: ok 37080 263: ok 37081 263: ok 37082 263: ok 37083 263: ok 37084 263: ok 37085 263: ok 37086 263: ok 37087 263: ok 37088 263: ok 37089 263: ok 37090 263: ok 37091 263: ok 37092 263: ok 37093 263: ok 37094 263: ok 37095 263: ok 37096 263: ok 37097 263: ok 37098 263: ok 37099 263: ok 37100 263: ok 37101 263: ok 37102 263: ok 37103 263: ok 37104 263: ok 37105 263: ok 37106 263: ok 37107 263: ok 37108 263: ok 37109 263: ok 37110 263: ok 37111 263: ok 37112 263: ok 37113 263: ok 37114 263: ok 37115 263: ok 37116 263: ok 37117 263: ok 37118 263: ok 37119 263: ok 37120 263: ok 37121 263: ok 37122 263: ok 37123 263: ok 37124 263: ok 37125 263: ok 37126 263: ok 37127 263: ok 37128 263: ok 37129 263: ok 37130 263: ok 37131 263: ok 37132 263: ok 37133 263: ok 37134 263: ok 37135 263: ok 37136 263: ok 37137 263: ok 37138 263: ok 37139 263: ok 37140 263: ok 37141 263: ok 37142 263: ok 37143 263: ok 37144 263: ok 37145 263: ok 37146 263: ok 37147 263: ok 37148 263: ok 37149 263: ok 37150 263: ok 37151 263: ok 37152 263: ok 37153 263: ok 37154 263: ok 37155 263: ok 37156 263: ok 37157 263: ok 37158 263: ok 37159 263: ok 37160 263: ok 37161 263: ok 37162 263: ok 37163 263: ok 37164 263: ok 37165 263: ok 37166 263: ok 37167 263: ok 37168 263: ok 37169 263: ok 37170 263: ok 37171 263: ok 37172 263: ok 37173 263: ok 37174 263: ok 37175 263: ok 37176 263: ok 37177 263: ok 37178 263: ok 37179 263: ok 37180 263: ok 37181 263: ok 37182 263: ok 37183 263: ok 37184 263: ok 37185 263: ok 37186 263: ok 37187 263: ok 37188 263: ok 37189 263: ok 37190 263: ok 37191 263: ok 37192 263: ok 37193 263: ok 37194 263: ok 37195 263: ok 37196 263: ok 37197 263: ok 37198 263: ok 37199 263: ok 37200 263: ok 37201 263: ok 37202 263: ok 37203 263: ok 37204 263: ok 37205 263: ok 37206 263: ok 37207 263: ok 37208 263: ok 37209 263: ok 37210 263: ok 37211 263: ok 37212 263: ok 37213 263: ok 37214 263: ok 37215 263: ok 37216 263: ok 37217 263: ok 37218 263: ok 37219 263: ok 37220 263: ok 37221 263: ok 37222 263: ok 37223 263: ok 37224 263: ok 37225 263: ok 37226 263: ok 37227 263: ok 37228 263: ok 37229 263: ok 37230 263: ok 37231 263: ok 37232 263: ok 37233 263: ok 37234 263: ok 37235 263: ok 37236 263: ok 37237 263: ok 37238 263: ok 37239 263: ok 37240 263: ok 37241 263: ok 37242 263: ok 37243 263: ok 37244 263: ok 37245 263: ok 37246 263: ok 37247 263: ok 37248 263: ok 37249 263: ok 37250 263: ok 37251 263: ok 37252 263: ok 37253 263: ok 37254 263: ok 37255 263: ok 37256 263: ok 37257 263: ok 37258 263: ok 37259 263: ok 37260 263: ok 37261 263: ok 37262 263: ok 37263 263: ok 37264 263: ok 37265 263: ok 37266 263: ok 37267 263: ok 37268 263: ok 37269 263: ok 37270 263: ok 37271 263: ok 37272 263: ok 37273 263: ok 37274 263: ok 37275 263: ok 37276 263: ok 37277 263: ok 37278 263: ok 37279 263: ok 37280 263: ok 37281 263: ok 37282 263: ok 37283 263: ok 37284 263: ok 37285 263: ok 37286 263: ok 37287 263: ok 37288 263: ok 37289 263: ok 37290 263: ok 37291 263: ok 37292 263: ok 37293 263: ok 37294 263: ok 37295 263: ok 37296 263: ok 37297 263: ok 37298 263: ok 37299 263: ok 37300 263: ok 37301 263: ok 37302 263: ok 37303 263: ok 37304 263: ok 37305 263: ok 37306 263: ok 37307 263: ok 37308 263: ok 37309 263: ok 37310 263: ok 37311 263: ok 37312 263: ok 37313 263: ok 37314 263: ok 37315 263: ok 37316 263: ok 37317 263: ok 37318 263: ok 37319 263: ok 37320 263: ok 37321 263: ok 37322 263: ok 37323 263: ok 37324 263: ok 37325 263: ok 37326 263: ok 37327 263: ok 37328 263: ok 37329 263: ok 37330 263: ok 37331 263: ok 37332 263: ok 37333 263: ok 37334 263: ok 37335 263: ok 37336 263: ok 37337 263: ok 37338 263: ok 37339 263: ok 37340 263: ok 37341 263: ok 37342 263: ok 37343 263: ok 37344 263: ok 37345 263: ok 37346 263: ok 37347 263: ok 37348 263: ok 37349 263: ok 37350 263: ok 37351 263: ok 37352 263: ok 37353 263: ok 37354 263: ok 37355 263: ok 37356 263: ok 37357 263: ok 37358 263: ok 37359 263: ok 37360 263: ok 37361 263: ok 37362 263: ok 37363 263: ok 37364 263: ok 37365 263: ok 37366 263: ok 37367 263: ok 37368 263: ok 37369 263: ok 37370 263: ok 37371 263: ok 37372 263: ok 37373 263: ok 37374 263: ok 37375 263: ok 37376 263: ok 37377 263: ok 37378 263: ok 37379 263: ok 37380 263: ok 37381 263: ok 37382 263: ok 37383 263: ok 37384 263: ok 37385 263: ok 37386 263: ok 37387 263: ok 37388 263: ok 37389 263: ok 37390 263: ok 37391 263: ok 37392 263: ok 37393 263: ok 37394 263: ok 37395 263: ok 37396 263: ok 37397 263: ok 37398 263: ok 37399 263: ok 37400 263: ok 37401 263: ok 37402 263: ok 37403 263: ok 37404 263: ok 37405 263: ok 37406 263: ok 37407 263: ok 37408 263: ok 37409 263: ok 37410 263: ok 37411 263: ok 37412 263: ok 37413 263: ok 37414 263: ok 37415 263: ok 37416 263: ok 37417 263: ok 37418 263: ok 37419 263: ok 37420 263: ok 37421 263: ok 37422 263: ok 37423 263: ok 37424 263: ok 37425 263: ok 37426 263: ok 37427 263: ok 37428 263: ok 37429 263: ok 37430 263: ok 37431 263: ok 37432 263: ok 37433 263: ok 37434 263: ok 37435 263: ok 37436 263: ok 37437 263: ok 37438 263: ok 37439 263: ok 37440 263: ok 37441 263: ok 37442 263: ok 37443 263: ok 37444 263: ok 37445 263: ok 37446 263: ok 37447 263: ok 37448 263: ok 37449 263: ok 37450 263: ok 37451 263: ok 37452 263: ok 37453 263: ok 37454 263: ok 37455 263: ok 37456 263: ok 37457 263: ok 37458 263: ok 37459 263: ok 37460 263: ok 37461 263: ok 37462 263: ok 37463 263: ok 37464 263: ok 37465 263: ok 37466 263: ok 37467 263: ok 37468 263: ok 37469 263: ok 37470 263: ok 37471 263: ok 37472 263: ok 37473 263: ok 37474 263: ok 37475 263: ok 37476 263: ok 37477 263: ok 37478 263: ok 37479 263: ok 37480 263: ok 37481 263: ok 37482 263: ok 37483 263: ok 37484 263: ok 37485 263: ok 37486 263: ok 37487 263: ok 37488 263: ok 37489 263: ok 37490 263: ok 37491 263: ok 37492 263: ok 37493 263: ok 37494 263: ok 37495 263: ok 37496 263: ok 37497 263: ok 37498 263: ok 37499 263: ok 37500 263: ok 37501 263: ok 37502 263: ok 37503 263: ok 37504 263: ok 37505 263: ok 37506 263: ok 37507 263: ok 37508 263: ok 37509 263: ok 37510 263: ok 37511 263: ok 37512 263: ok 37513 263: ok 37514 263: ok 37515 263: ok 37516 263: ok 37517 263: ok 37518 263: ok 37519 263: ok 37520 263: ok 37521 263: ok 37522 263: ok 37523 263: ok 37524 263: ok 37525 263: ok 37526 263: ok 37527 263: ok 37528 263: ok 37529 263: ok 37530 263: ok 37531 263: ok 37532 263: ok 37533 263: ok 37534 263: ok 37535 263: ok 37536 263: ok 37537 263: ok 37538 263: ok 37539 263: ok 37540 263: ok 37541 263: ok 37542 263: ok 37543 263: ok 37544 263: ok 37545 263: ok 37546 263: ok 37547 263: ok 37548 263: ok 37549 263: ok 37550 263: ok 37551 263: ok 37552 263: ok 37553 263: ok 37554 263: ok 37555 263: ok 37556 263: ok 37557 263: ok 37558 263: ok 37559 263: ok 37560 263: ok 37561 263: ok 37562 263: ok 37563 263: ok 37564 263: ok 37565 263: ok 37566 263: ok 37567 263: ok 37568 263: ok 37569 263: ok 37570 263: ok 37571 263: ok 37572 263: ok 37573 263: ok 37574 263: ok 37575 263: ok 37576 263: ok 37577 263: ok 37578 263: ok 37579 263: ok 37580 263: ok 37581 263: ok 37582 263: ok 37583 263: ok 37584 263: ok 37585 263: ok 37586 263: ok 37587 263: ok 37588 263: ok 37589 263: ok 37590 263: ok 37591 263: ok 37592 263: ok 37593 263: ok 37594 263: ok 37595 263: ok 37596 263: ok 37597 263: ok 37598 263: ok 37599 263: ok 37600 263: ok 37601 263: ok 37602 263: ok 37603 263: ok 37604 263: ok 37605 263: ok 37606 263: ok 37607 263: ok 37608 263: ok 37609 263: ok 37610 263: ok 37611 263: ok 37612 263: ok 37613 263: ok 37614 263: ok 37615 263: ok 37616 263: ok 37617 263: ok 37618 263: ok 37619 263: ok 37620 263: ok 37621 263: ok 37622 263: ok 37623 263: ok 37624 263: ok 37625 263: ok 37626 263: ok 37627 263: ok 37628 263: ok 37629 263: ok 37630 263: ok 37631 263: ok 37632 263: ok 37633 263: ok 37634 263: ok 37635 263: ok 37636 263: ok 37637 263: ok 37638 263: ok 37639 263: ok 37640 263: ok 37641 263: ok 37642 263: ok 37643 263: ok 37644 263: ok 37645 263: ok 37646 263: ok 37647 263: ok 37648 263: ok 37649 263: ok 37650 263: ok 37651 263: ok 37652 263: ok 37653 263: ok 37654 263: ok 37655 263: ok 37656 263: ok 37657 263: ok 37658 263: ok 37659 263: ok 37660 263: ok 37661 263: ok 37662 263: ok 37663 263: ok 37664 263: ok 37665 263: ok 37666 263: ok 37667 263: ok 37668 263: ok 37669 263: ok 37670 263: ok 37671 263: ok 37672 263: ok 37673 263: ok 37674 263: ok 37675 263: ok 37676 263: ok 37677 263: ok 37678 263: ok 37679 263: ok 37680 263: ok 37681 263: ok 37682 263: ok 37683 263: ok 37684 263: ok 37685 263: ok 37686 263: ok 37687 263: ok 37688 263: ok 37689 263: ok 37690 263: ok 37691 263: ok 37692 263: ok 37693 263: ok 37694 263: ok 37695 263: ok 37696 263: ok 37697 263: ok 37698 263: ok 37699 263: ok 37700 263: ok 37701 263: ok 37702 263: ok 37703 263: ok 37704 263: ok 37705 263: ok 37706 263: ok 37707 263: ok 37708 263: ok 37709 263: ok 37710 263: ok 37711 263: ok 37712 263: ok 37713 263: ok 37714 263: ok 37715 263: ok 37716 263: ok 37717 263: ok 37718 263: ok 37719 263: ok 37720 263: ok 37721 263: ok 37722 263: ok 37723 263: ok 37724 263: ok 37725 263: ok 37726 263: ok 37727 263: ok 37728 263: ok 37729 263: ok 37730 263: ok 37731 263: ok 37732 263: ok 37733 263: ok 37734 263: ok 37735 263: ok 37736 263: ok 37737 263: ok 37738 263: ok 37739 263: ok 37740 263: ok 37741 263: ok 37742 263: ok 37743 263: ok 37744 263: ok 37745 263: ok 37746 263: ok 37747 263: ok 37748 263: ok 37749 263: ok 37750 263: ok 37751 263: ok 37752 263: ok 37753 263: ok 37754 263: ok 37755 263: ok 37756 263: ok 37757 263: ok 37758 263: ok 37759 263: ok 37760 263: ok 37761 263: ok 37762 263: ok 37763 263: ok 37764 263: ok 37765 263: ok 37766 263: ok 37767 263: ok 37768 263: ok 37769 263: ok 37770 263: ok 37771 263: ok 37772 263: ok 37773 263: ok 37774 263: ok 37775 263: ok 37776 263: ok 37777 263: ok 37778 263: ok 37779 263: ok 37780 263: ok 37781 263: ok 37782 263: ok 37783 263: ok 37784 263: ok 37785 263: ok 37786 263: ok 37787 263: ok 37788 263: ok 37789 263: ok 37790 263: ok 37791 263: ok 37792 263: ok 37793 263: ok 37794 263: ok 37795 263: ok 37796 263: ok 37797 263: ok 37798 263: ok 37799 263: ok 37800 263: ok 37801 263: ok 37802 263: ok 37803 263: ok 37804 263: ok 37805 263: ok 37806 263: ok 37807 263: ok 37808 263: ok 37809 263: ok 37810 263: ok 37811 263: ok 37812 263: ok 37813 263: ok 37814 263: ok 37815 263: ok 37816 263: ok 37817 263: ok 37818 263: ok 37819 263: ok 37820 263: ok 37821 263: ok 37822 263: ok 37823 263: ok 37824 263: ok 37825 263: ok 37826 263: ok 37827 263: ok 37828 263: ok 37829 263: ok 37830 263: ok 37831 263: ok 37832 263: ok 37833 263: ok 37834 263: ok 37835 263: ok 37836 263: ok 37837 263: ok 37838 263: ok 37839 263: ok 37840 263: ok 37841 263: ok 37842 263: ok 37843 263: ok 37844 263: ok 37845 263: ok 37846 263: ok 37847 263: ok 37848 263: ok 37849 263: ok 37850 263: ok 37851 263: ok 37852 263: ok 37853 263: ok 37854 263: ok 37855 263: ok 37856 263: ok 37857 263: ok 37858 263: ok 37859 263: ok 37860 263: ok 37861 263: ok 37862 263: ok 37863 263: ok 37864 263: ok 37865 263: ok 37866 263: ok 37867 263: ok 37868 263: ok 37869 263: ok 37870 263: ok 37871 263: ok 37872 263: ok 37873 263: ok 37874 263: ok 37875 263: ok 37876 263: ok 37877 263: ok 37878 263: ok 37879 263: ok 37880 263: ok 37881 263: ok 37882 263: ok 37883 263: ok 37884 263: ok 37885 263: ok 37886 263: ok 37887 263: ok 37888 263: ok 37889 263: ok 37890 263: ok 37891 263: ok 37892 263: ok 37893 263: ok 37894 263: ok 37895 263: ok 37896 263: ok 37897 263: ok 37898 263: ok 37899 263: ok 37900 263: ok 37901 263: ok 37902 263: ok 37903 263: ok 37904 263: ok 37905 263: ok 37906 263: ok 37907 263: ok 37908 263: ok 37909 263: ok 37910 263: ok 37911 263: ok 37912 263: ok 37913 263: ok 37914 263: ok 37915 263: ok 37916 263: ok 37917 263: ok 37918 263: ok 37919 263: ok 37920 263: ok 37921 263: ok 37922 263: ok 37923 263: ok 37924 263: ok 37925 263: ok 37926 263: ok 37927 263: ok 37928 263: ok 37929 263: ok 37930 263: ok 37931 263: ok 37932 263: ok 37933 263: ok 37934 263: ok 37935 263: ok 37936 263: ok 37937 263: ok 37938 263: ok 37939 263: ok 37940 263: ok 37941 263: ok 37942 263: ok 37943 263: ok 37944 263: ok 37945 263: ok 37946 263: ok 37947 263: ok 37948 263: ok 37949 263: ok 37950 263: ok 37951 263: ok 37952 263: ok 37953 263: ok 37954 263: ok 37955 263: ok 37956 263: ok 37957 263: ok 37958 263: ok 37959 263: ok 37960 263: ok 37961 263: ok 37962 263: ok 37963 263: ok 37964 263: ok 37965 263: ok 37966 263: ok 37967 263: ok 37968 263: ok 37969 263: ok 37970 263: ok 37971 263: ok 37972 263: ok 37973 263: ok 37974 263: ok 37975 263: ok 37976 263: ok 37977 263: ok 37978 263: ok 37979 263: ok 37980 263: ok 37981 263: ok 37982 263: ok 37983 263: ok 37984 263: ok 37985 263: ok 37986 263: ok 37987 263: ok 37988 263: ok 37989 263: ok 37990 263: ok 37991 263: ok 37992 263: ok 37993 263: ok 37994 263: ok 37995 263: ok 37996 263: ok 37997 263: ok 37998 263: ok 37999 263: ok 38000 263: ok 38001 263: ok 38002 263: ok 38003 263: ok 38004 263: ok 38005 263: ok 38006 263: ok 38007 263: ok 38008 263: ok 38009 263: ok 38010 263: ok 38011 263: ok 38012 263: ok 38013 263: ok 38014 263: ok 38015 263: ok 38016 263: ok 38017 263: ok 38018 263: ok 38019 263: ok 38020 263: ok 38021 263: ok 38022 263: ok 38023 263: ok 38024 263: ok 38025 263: ok 38026 263: ok 38027 263: ok 38028 263: ok 38029 263: ok 38030 263: ok 38031 263: ok 38032 263: ok 38033 263: ok 38034 263: ok 38035 263: ok 38036 263: ok 38037 263: ok 38038 263: ok 38039 263: ok 38040 263: ok 38041 263: ok 38042 263: ok 38043 263: ok 38044 263: ok 38045 263: ok 38046 263: ok 38047 263: ok 38048 263: ok 38049 263: ok 38050 263: ok 38051 263: ok 38052 263: ok 38053 263: ok 38054 263: ok 38055 263: ok 38056 263: ok 38057 263: ok 38058 263: ok 38059 263: ok 38060 263: ok 38061 263: ok 38062 263: ok 38063 263: ok 38064 263: ok 38065 263: ok 38066 263: ok 38067 263: ok 38068 263: ok 38069 263: ok 38070 263: ok 38071 263: ok 38072 263: ok 38073 263: ok 38074 263: ok 38075 263: ok 38076 263: ok 38077 263: ok 38078 263: ok 38079 263: ok 38080 263: ok 38081 263: ok 38082 263: ok 38083 263: ok 38084 263: ok 38085 263: ok 38086 263: ok 38087 263: ok 38088 263: ok 38089 263: ok 38090 263: ok 38091 263: ok 38092 263: ok 38093 263: ok 38094 263: ok 38095 263: ok 38096 263: ok 38097 263: ok 38098 263: ok 38099 263: ok 38100 263: ok 38101 263: ok 38102 263: ok 38103 263: ok 38104 263: ok 38105 263: ok 38106 263: ok 38107 263: ok 38108 263: ok 38109 263: ok 38110 263: ok 38111 263: ok 38112 263: ok 38113 263: ok 38114 263: ok 38115 263: ok 38116 263: ok 38117 263: ok 38118 263: ok 38119 263: ok 38120 263: ok 38121 263: ok 38122 263: ok 38123 263: ok 38124 263: ok 38125 263: ok 38126 263: ok 38127 263: ok 38128 263: ok 38129 263: ok 38130 263: ok 38131 263: ok 38132 263: ok 38133 263: ok 38134 263: ok 38135 263: ok 38136 263: ok 38137 263: ok 38138 263: ok 38139 263: ok 38140 263: ok 38141 263: ok 38142 263: ok 38143 263: ok 38144 263: ok 38145 263: ok 38146 263: ok 38147 263: ok 38148 263: ok 38149 263: ok 38150 263: ok 38151 263: ok 38152 263: ok 38153 263: ok 38154 263: ok 38155 263: ok 38156 263: ok 38157 263: ok 38158 263: ok 38159 263: ok 38160 263: ok 38161 263: ok 38162 263: ok 38163 263: ok 38164 263: ok 38165 263: ok 38166 263: ok 38167 263: ok 38168 263: ok 38169 263: ok 38170 263: ok 38171 263: ok 38172 263: ok 38173 263: ok 38174 263: ok 38175 263: ok 38176 263: ok 38177 263: ok 38178 263: ok 38179 263: ok 38180 263: ok 38181 263: ok 38182 263: ok 38183 263: ok 38184 263: ok 38185 263: ok 38186 263: ok 38187 263: ok 38188 263: ok 38189 263: ok 38190 263: ok 38191 263: ok 38192 263: ok 38193 263: ok 38194 263: ok 38195 263: ok 38196 263: ok 38197 263: ok 38198 263: ok 38199 263: ok 38200 263: ok 38201 263: ok 38202 263: ok 38203 263: ok 38204 263: ok 38205 263: ok 38206 263: ok 38207 263: ok 38208 263: ok 38209 263: ok 38210 263: ok 38211 263: ok 38212 263: ok 38213 263: ok 38214 263: ok 38215 263: ok 38216 263: ok 38217 263: ok 38218 263: ok 38219 263: ok 38220 263: ok 38221 263: ok 38222 263: ok 38223 263: ok 38224 263: ok 38225 263: ok 38226 263: ok 38227 263: ok 38228 263: ok 38229 263: ok 38230 263: ok 38231 263: ok 38232 263: ok 38233 263: ok 38234 263: ok 38235 263: ok 38236 263: ok 38237 263: ok 38238 263: ok 38239 263: ok 38240 263: ok 38241 263: ok 38242 263: ok 38243 263: ok 38244 263: ok 38245 263: ok 38246 263: ok 38247 263: ok 38248 263: ok 38249 263: ok 38250 263: ok 38251 263: ok 38252 263: ok 38253 263: ok 38254 263: ok 38255 263: ok 38256 263: ok 38257 263: ok 38258 263: ok 38259 263: ok 38260 263: ok 38261 263: ok 38262 263: ok 38263 263: ok 38264 263: ok 38265 263: ok 38266 263: ok 38267 263: ok 38268 263: ok 38269 263: ok 38270 263: ok 38271 263: ok 38272 263: ok 38273 263: ok 38274 263: ok 38275 263: ok 38276 263: ok 38277 263: ok 38278 263: ok 38279 263: ok 38280 263: ok 38281 263: ok 38282 263: ok 38283 263: ok 38284 263: ok 38285 263: ok 38286 263: ok 38287 263: ok 38288 263: ok 38289 263: ok 38290 263: ok 38291 263: ok 38292 263: ok 38293 263: ok 38294 263: ok 38295 263: ok 38296 263: ok 38297 263: ok 38298 263: ok 38299 263: ok 38300 263: ok 38301 263: ok 38302 263: ok 38303 263: ok 38304 263: ok 38305 263: ok 38306 263: ok 38307 263: ok 38308 263: ok 38309 263: ok 38310 263: ok 38311 263: ok 38312 263: ok 38313 263: ok 38314 263: ok 38315 263: ok 38316 263: ok 38317 263: ok 38318 263: ok 38319 263: ok 38320 263: ok 38321 263: ok 38322 263: ok 38323 263: ok 38324 263: ok 38325 263: ok 38326 263: ok 38327 263: ok 38328 263: ok 38329 263: ok 38330 263: ok 38331 263: ok 38332 263: ok 38333 263: ok 38334 263: ok 38335 263: ok 38336 263: ok 38337 263: ok 38338 263: ok 38339 263: ok 38340 263: ok 38341 263: ok 38342 263: ok 38343 263: ok 38344 263: ok 38345 263: ok 38346 263: ok 38347 263: ok 38348 263: ok 38349 263: ok 38350 263: ok 38351 263: ok 38352 263: ok 38353 263: ok 38354 263: ok 38355 263: ok 38356 263: ok 38357 263: ok 38358 263: ok 38359 263: ok 38360 263: ok 38361 263: ok 38362 263: ok 38363 263: ok 38364 263: ok 38365 263: ok 38366 263: ok 38367 263: ok 38368 263: ok 38369 263: ok 38370 263: ok 38371 263: ok 38372 263: ok 38373 263: ok 38374 263: ok 38375 263: ok 38376 263: ok 38377 263: ok 38378 263: ok 38379 263: ok 38380 263: ok 38381 263: ok 38382 263: ok 38383 263: ok 38384 263: ok 38385 263: ok 38386 263: ok 38387 263: ok 38388 263: ok 38389 263: ok 38390 263: ok 38391 263: ok 38392 263: ok 38393 263: ok 38394 263: ok 38395 263: ok 38396 263: ok 38397 263: ok 38398 263: ok 38399 263: ok 38400 263: ok 38401 263: ok 38402 263: ok 38403 263: ok 38404 263: ok 38405 263: ok 38406 263: ok 38407 263: ok 38408 263: ok 38409 263: ok 38410 263: ok 38411 263: ok 38412 263: ok 38413 263: ok 38414 263: ok 38415 263: ok 38416 263: ok 38417 263: ok 38418 263: ok 38419 263: ok 38420 263: ok 38421 263: ok 38422 263: ok 38423 263: ok 38424 263: ok 38425 263: ok 38426 263: ok 38427 263: ok 38428 263: ok 38429 263: ok 38430 263: ok 38431 263: ok 38432 263: ok 38433 263: ok 38434 263: ok 38435 263: ok 38436 263: ok 38437 263: ok 38438 263: ok 38439 263: ok 38440 263: ok 38441 263: ok 38442 263: ok 38443 263: ok 38444 263: ok 38445 263: ok 38446 263: ok 38447 263: ok 38448 263: ok 38449 263: ok 38450 263: ok 38451 263: ok 38452 263: ok 38453 263: ok 38454 263: ok 38455 263: ok 38456 263: ok 38457 263: ok 38458 263: ok 38459 263: ok 38460 263: ok 38461 263: ok 38462 263: ok 38463 263: ok 38464 263: ok 38465 263: ok 38466 263: ok 38467 263: ok 38468 263: ok 38469 263: ok 38470 263: ok 38471 263: ok 38472 263: ok 38473 263: ok 38474 263: ok 38475 263: ok 38476 263: ok 38477 263: ok 38478 263: ok 38479 263: ok 38480 263: ok 38481 263: ok 38482 263: ok 38483 263: ok 38484 263: ok 38485 263: ok 38486 263: ok 38487 263: ok 38488 263: ok 38489 263: ok 38490 263: ok 38491 263: ok 38492 263: ok 38493 263: ok 38494 263: ok 38495 263: ok 38496 263: ok 38497 263: ok 38498 263: ok 38499 263: ok 38500 263: ok 38501 263: ok 38502 263: ok 38503 263: ok 38504 263: ok 38505 263: ok 38506 263: ok 38507 263: ok 38508 263: ok 38509 263: ok 38510 263: ok 38511 263: ok 38512 263: ok 38513 263: ok 38514 263: ok 38515 263: ok 38516 263: ok 38517 263: ok 38518 263: ok 38519 263: ok 38520 263: ok 38521 263: ok 38522 263: ok 38523 263: ok 38524 263: ok 38525 263: ok 38526 263: ok 38527 263: ok 38528 263: ok 38529 263: ok 38530 263: ok 38531 263: ok 38532 263: ok 38533 263: ok 38534 263: ok 38535 263: ok 38536 263: ok 38537 263: ok 38538 263: ok 38539 263: ok 38540 263: ok 38541 263: ok 38542 263: ok 38543 263: ok 38544 263: ok 38545 263: ok 38546 263: ok 38547 263: ok 38548 263: ok 38549 263: ok 38550 263: ok 38551 263: ok 38552 263: ok 38553 263: ok 38554 263: ok 38555 263: ok 38556 263: ok 38557 263: ok 38558 263: ok 38559 263: ok 38560 263: ok 38561 263: ok 38562 263: ok 38563 263: ok 38564 263: ok 38565 263: ok 38566 263: ok 38567 263: ok 38568 263: ok 38569 263: ok 38570 263: ok 38571 263: ok 38572 263: ok 38573 263: ok 38574 263: ok 38575 263: ok 38576 263: ok 38577 263: ok 38578 263: ok 38579 263: ok 38580 263: ok 38581 263: ok 38582 263: ok 38583 263: ok 38584 263: ok 38585 263: ok 38586 263: ok 38587 263: ok 38588 263: ok 38589 263: ok 38590 263: ok 38591 263: ok 38592 263: ok 38593 263: ok 38594 263: ok 38595 263: ok 38596 263: ok 38597 263: ok 38598 263: ok 38599 263: ok 38600 263: ok 38601 263: ok 38602 263: ok 38603 263: ok 38604 263: ok 38605 263: ok 38606 263: ok 38607 263: ok 38608 263: ok 38609 263: ok 38610 263: ok 38611 263: ok 38612 263: ok 38613 263: ok 38614 263: ok 38615 263: ok 38616 263: ok 38617 263: ok 38618 263: ok 38619 263: ok 38620 263: ok 38621 263: ok 38622 263: ok 38623 263: ok 38624 263: ok 38625 263: ok 38626 263: ok 38627 263: ok 38628 263: ok 38629 263: ok 38630 263: ok 38631 263: ok 38632 263: ok 38633 263: ok 38634 263: ok 38635 263: ok 38636 263: ok 38637 263: ok 38638 263: ok 38639 263: ok 38640 263: ok 38641 263: ok 38642 263: ok 38643 263: ok 38644 263: ok 38645 263: ok 38646 263: ok 38647 263: ok 38648 263: ok 38649 263: ok 38650 263: ok 38651 263: ok 38652 263: ok 38653 263: ok 38654 263: ok 38655 263: ok 38656 263: ok 38657 263: ok 38658 263: ok 38659 263: ok 38660 263: ok 38661 263: ok 38662 263: ok 38663 263: ok 38664 263: ok 38665 263: ok 38666 263: ok 38667 263: ok 38668 263: ok 38669 263: ok 38670 263: ok 38671 263: ok 38672 263: ok 38673 263: ok 38674 263: ok 38675 263: ok 38676 263: ok 38677 263: ok 38678 263: ok 38679 263: ok 38680 263: ok 38681 263: ok 38682 263: ok 38683 263: ok 38684 263: ok 38685 263: ok 38686 263: ok 38687 263: ok 38688 263: ok 38689 263: ok 38690 263: ok 38691 263: ok 38692 263: ok 38693 263: ok 38694 263: ok 38695 263: ok 38696 263: ok 38697 263: ok 38698 263: ok 38699 263: ok 38700 263: ok 38701 263: ok 38702 263: ok 38703 263: ok 38704 263: ok 38705 263: ok 38706 263: ok 38707 263: ok 38708 263: ok 38709 263: ok 38710 263: ok 38711 263: ok 38712 263: ok 38713 263: ok 38714 263: ok 38715 263: ok 38716 263: ok 38717 263: ok 38718 263: ok 38719 263: ok 38720 263: ok 38721 263: ok 38722 263: ok 38723 263: ok 38724 263: ok 38725 263: ok 38726 263: ok 38727 263: ok 38728 263: ok 38729 263: ok 38730 263: ok 38731 263: ok 38732 263: ok 38733 263: ok 38734 263: ok 38735 263: ok 38736 263: ok 38737 263: ok 38738 263: ok 38739 263: ok 38740 263: ok 38741 263: ok 38742 263: ok 38743 263: ok 38744 263: ok 38745 263: ok 38746 263: ok 38747 263: ok 38748 263: ok 38749 263: ok 38750 263: ok 38751 263: ok 38752 263: ok 38753 263: ok 38754 263: ok 38755 263: ok 38756 263: ok 38757 263: ok 38758 263: ok 38759 263: ok 38760 263: ok 38761 263: ok 38762 263: ok 38763 263: ok 38764 263: ok 38765 263: ok 38766 263: ok 38767 263: ok 38768 263: ok 38769 263: ok 38770 263: ok 38771 263: ok 38772 263: ok 38773 263: ok 38774 263: ok 38775 263: ok 38776 263: ok 38777 263: ok 38778 263: ok 38779 263: ok 38780 263: ok 38781 263: ok 38782 263: ok 38783 263: ok 38784 263: ok 38785 263: ok 38786 263: ok 38787 263: ok 38788 263: ok 38789 263: ok 38790 263: ok 38791 263: ok 38792 263: ok 38793 263: ok 38794 263: ok 38795 263: ok 38796 263: ok 38797 263: ok 38798 263: ok 38799 263: ok 38800 263: ok 38801 263: ok 38802 263: ok 38803 263: ok 38804 263: ok 38805 263: ok 38806 263: ok 38807 263: ok 38808 263: ok 38809 263: ok 38810 263: ok 38811 263: ok 38812 263: ok 38813 263: ok 38814 263: ok 38815 263: ok 38816 263: ok 38817 263: ok 38818 263: ok 38819 263: ok 38820 263: ok 38821 263: ok 38822 263: ok 38823 263: ok 38824 263: ok 38825 263: ok 38826 263: ok 38827 263: ok 38828 263: ok 38829 263: ok 38830 263: ok 38831 263: ok 38832 263: ok 38833 263: ok 38834 263: ok 38835 263: ok 38836 263: ok 38837 263: ok 38838 263: ok 38839 263: ok 38840 263: ok 38841 263: ok 38842 263: ok 38843 263: ok 38844 263: ok 38845 263: ok 38846 263: ok 38847 263: ok 38848 263: ok 38849 263: ok 38850 263: ok 38851 263: ok 38852 263: ok 38853 263: ok 38854 263: ok 38855 263: ok 38856 263: ok 38857 263: ok 38858 263: ok 38859 263: ok 38860 263: ok 38861 263: ok 38862 263: ok 38863 263: ok 38864 263: ok 38865 263: ok 38866 263: ok 38867 263: ok 38868 263: ok 38869 263: ok 38870 263: ok 38871 263: ok 38872 263: ok 38873 263: ok 38874 263: ok 38875 263: ok 38876 263: ok 38877 263: ok 38878 263: ok 38879 263: ok 38880 263: ok 38881 263: ok 38882 263: ok 38883 263: ok 38884 263: ok 38885 263: ok 38886 263: ok 38887 263: ok 38888 263: ok 38889 263: ok 38890 263: ok 38891 263: ok 38892 263: ok 38893 263: ok 38894 263: ok 38895 263: ok 38896 263: ok 38897 263: ok 38898 263: ok 38899 263: ok 38900 263: ok 38901 263: ok 38902 263: ok 38903 263: ok 38904 263: ok 38905 263: ok 38906 263: ok 38907 263: ok 38908 263: ok 38909 263: ok 38910 263: ok 38911 263: ok 38912 263: ok 38913 263: ok 38914 263: ok 38915 263: ok 38916 263: ok 38917 263: ok 38918 263: ok 38919 263: ok 38920 263: ok 38921 263: ok 38922 263: ok 38923 263: ok 38924 263: ok 38925 263: ok 38926 263: ok 38927 263: ok 38928 263: ok 38929 263: ok 38930 263: ok 38931 263: ok 38932 263: ok 38933 263: ok 38934 263: ok 38935 263: ok 38936 263: ok 38937 263: ok 38938 263: ok 38939 263: ok 38940 263: ok 38941 263: ok 38942 263: ok 38943 263: ok 38944 263: ok 38945 263: ok 38946 263: ok 38947 263: ok 38948 263: ok 38949 263: ok 38950 263: ok 38951 263: ok 38952 263: ok 38953 263: ok 38954 263: ok 38955 263: ok 38956 263: ok 38957 263: ok 38958 263: ok 38959 263: ok 38960 263: ok 38961 263: ok 38962 263: ok 38963 263: ok 38964 263: ok 38965 263: ok 38966 263: ok 38967 263: ok 38968 263: ok 38969 263: ok 38970 263: ok 38971 263: ok 38972 263: ok 38973 263: ok 38974 263: ok 38975 263: ok 38976 263: ok 38977 263: ok 38978 263: ok 38979 263: ok 38980 263: ok 38981 263: ok 38982 263: ok 38983 263: ok 38984 263: ok 38985 263: ok 38986 263: ok 38987 263: ok 38988 263: ok 38989 263: ok 38990 263: ok 38991 263: ok 38992 263: ok 38993 263: ok 38994 263: ok 38995 263: ok 38996 263: ok 38997 263: ok 38998 263: ok 38999 263: ok 39000 263: ok 39001 263: ok 39002 263: ok 39003 263: ok 39004 263: ok 39005 263: ok 39006 263: ok 39007 263: ok 39008 263: ok 39009 263: ok 39010 263: ok 39011 263: ok 39012 263: ok 39013 263: ok 39014 263: ok 39015 263: ok 39016 263: ok 39017 263: ok 39018 263: ok 39019 263: ok 39020 263: ok 39021 263: ok 39022 263: ok 39023 263: ok 39024 263: ok 39025 263: ok 39026 263: ok 39027 263: ok 39028 263: ok 39029 263: ok 39030 263: ok 39031 263: ok 39032 263: ok 39033 263: ok 39034 263: ok 39035 263: ok 39036 263: ok 39037 263: ok 39038 263: ok 39039 263: ok 39040 263: ok 39041 263: ok 39042 263: ok 39043 263: ok 39044 263: ok 39045 263: ok 39046 263: ok 39047 263: ok 39048 263: ok 39049 263: ok 39050 263: ok 39051 263: ok 39052 263: ok 39053 263: ok 39054 263: ok 39055 263: ok 39056 263: ok 39057 263: ok 39058 263: ok 39059 263: ok 39060 263: ok 39061 263: ok 39062 263: ok 39063 263: ok 39064 263: ok 39065 263: ok 39066 263: ok 39067 263: ok 39068 263: ok 39069 263: ok 39070 263: ok 39071 263: ok 39072 263: ok 39073 263: ok 39074 263: ok 39075 263: ok 39076 263: ok 39077 263: ok 39078 263: ok 39079 263: ok 39080 263: ok 39081 263: ok 39082 263: ok 39083 263: ok 39084 263: ok 39085 263: ok 39086 263: ok 39087 263: ok 39088 263: ok 39089 263: ok 39090 263: ok 39091 263: ok 39092 263: ok 39093 263: ok 39094 263: ok 39095 263: ok 39096 263: ok 39097 263: ok 39098 263: ok 39099 263: ok 39100 263: ok 39101 263: ok 39102 263: ok 39103 263: ok 39104 263: ok 39105 263: ok 39106 263: ok 39107 263: ok 39108 263: ok 39109 263: ok 39110 263: ok 39111 263: ok 39112 263: ok 39113 263: ok 39114 263: ok 39115 263: ok 39116 263: ok 39117 263: ok 39118 263: ok 39119 263: ok 39120 263: ok 39121 263: ok 39122 263: ok 39123 263: ok 39124 263: ok 39125 263: ok 39126 263: ok 39127 263: ok 39128 263: ok 39129 263: ok 39130 263: ok 39131 263: ok 39132 263: ok 39133 263: ok 39134 263: ok 39135 263: ok 39136 263: ok 39137 263: ok 39138 263: ok 39139 263: ok 39140 263: ok 39141 263: ok 39142 263: ok 39143 263: ok 39144 263: ok 39145 263: ok 39146 263: ok 39147 263: ok 39148 263: ok 39149 263: ok 39150 263: ok 39151 263: ok 39152 263: ok 39153 263: ok 39154 263: ok 39155 263: ok 39156 263: ok 39157 263: ok 39158 263: ok 39159 263: ok 39160 263: ok 39161 263: ok 39162 263: ok 39163 263: ok 39164 263: ok 39165 263: ok 39166 263: ok 39167 263: ok 39168 263: ok 39169 263: ok 39170 263: ok 39171 263: ok 39172 263: ok 39173 263: ok 39174 263: ok 39175 263: ok 39176 263: ok 39177 263: ok 39178 263: ok 39179 263: ok 39180 263: ok 39181 263: ok 39182 263: ok 39183 263: ok 39184 263: ok 39185 263: ok 39186 263: ok 39187 263: ok 39188 263: ok 39189 263: ok 39190 263: ok 39191 263: ok 39192 263: ok 39193 263: ok 39194 263: ok 39195 263: ok 39196 263: ok 39197 263: ok 39198 263: ok 39199 263: ok 39200 263: ok 39201 263: ok 39202 263: ok 39203 263: ok 39204 263: ok 39205 263: ok 39206 263: ok 39207 263: ok 39208 263: ok 39209 263: ok 39210 263: ok 39211 263: ok 39212 263: ok 39213 263: ok 39214 263: ok 39215 263: ok 39216 263: ok 39217 263: ok 39218 263: ok 39219 263: ok 39220 263: ok 39221 263: ok 39222 263: ok 39223 263: ok 39224 263: ok 39225 263: ok 39226 263: ok 39227 263: ok 39228 263: ok 39229 263: ok 39230 263: ok 39231 263: ok 39232 263: ok 39233 263: ok 39234 263: ok 39235 263: ok 39236 263: ok 39237 263: ok 39238 263: ok 39239 263: ok 39240 263: ok 39241 263: ok 39242 263: ok 39243 263: ok 39244 263: ok 39245 263: ok 39246 263: ok 39247 263: ok 39248 263: ok 39249 263: ok 39250 263: ok 39251 263: ok 39252 263: ok 39253 263: ok 39254 263: ok 39255 263: ok 39256 263: ok 39257 263: ok 39258 263: ok 39259 263: ok 39260 263: ok 39261 263: ok 39262 263: ok 39263 263: ok 39264 263: ok 39265 263: ok 39266 263: ok 39267 263: ok 39268 263: ok 39269 263: ok 39270 263: ok 39271 263: ok 39272 263: ok 39273 263: ok 39274 263: ok 39275 263: ok 39276 263: ok 39277 263: ok 39278 263: ok 39279 263: ok 39280 263: ok 39281 263: ok 39282 263: ok 39283 263: ok 39284 263: ok 39285 263: ok 39286 263: ok 39287 263: ok 39288 263: ok 39289 263: ok 39290 263: ok 39291 263: ok 39292 263: ok 39293 263: ok 39294 263: ok 39295 263: ok 39296 263: ok 39297 263: ok 39298 263: ok 39299 263: ok 39300 263: ok 39301 263: ok 39302 263: ok 39303 263: ok 39304 263: ok 39305 263: ok 39306 263: ok 39307 263: ok 39308 263: ok 39309 263: ok 39310 263: ok 39311 263: ok 39312 263: ok 39313 263: ok 39314 263: ok 39315 263: ok 39316 263: ok 39317 263: ok 39318 263: ok 39319 263: ok 39320 263: ok 39321 263: ok 39322 263: ok 39323 263: ok 39324 263: ok 39325 263: ok 39326 263: ok 39327 263: ok 39328 263: ok 39329 263: ok 39330 263: ok 39331 263: ok 39332 263: ok 39333 263: ok 39334 263: ok 39335 263: ok 39336 263: ok 39337 263: ok 39338 263: ok 39339 263: ok 39340 263: ok 39341 263: ok 39342 263: ok 39343 263: ok 39344 263: ok 39345 263: ok 39346 263: ok 39347 263: ok 39348 263: ok 39349 263: ok 39350 263: ok 39351 263: ok 39352 263: ok 39353 263: ok 39354 263: ok 39355 263: ok 39356 263: ok 39357 263: ok 39358 263: ok 39359 263: ok 39360 263: ok 39361 263: ok 39362 263: ok 39363 263: ok 39364 263: ok 39365 263: ok 39366 263: ok 39367 263: ok 39368 263: ok 39369 263: ok 39370 263: ok 39371 263: ok 39372 263: ok 39373 263: ok 39374 263: ok 39375 263: ok 39376 263: ok 39377 263: ok 39378 263: ok 39379 263: ok 39380 263: ok 39381 263: ok 39382 263: ok 39383 263: ok 39384 263: ok 39385 263: ok 39386 263: ok 39387 263: ok 39388 263: ok 39389 263: ok 39390 263: ok 39391 263: ok 39392 263: ok 39393 263: ok 39394 263: ok 39395 263: ok 39396 263: ok 39397 263: ok 39398 263: ok 39399 263: ok 39400 263: ok 39401 263: ok 39402 263: ok 39403 263: ok 39404 263: ok 39405 263: ok 39406 263: ok 39407 263: ok 39408 263: ok 39409 263: ok 39410 263: ok 39411 263: ok 39412 263: ok 39413 263: ok 39414 263: ok 39415 263: ok 39416 263: ok 39417 263: ok 39418 263: ok 39419 263: ok 39420 263: ok 39421 263: ok 39422 263: ok 39423 263: ok 39424 263: ok 39425 263: ok 39426 263: ok 39427 263: ok 39428 263: ok 39429 263: ok 39430 263: ok 39431 263: ok 39432 263: ok 39433 263: ok 39434 263: ok 39435 263: ok 39436 263: ok 39437 263: ok 39438 263: ok 39439 263: ok 39440 263: ok 39441 263: ok 39442 263: ok 39443 263: ok 39444 263: ok 39445 263: ok 39446 263: ok 39447 263: ok 39448 263: ok 39449 263: ok 39450 263: ok 39451 263: ok 39452 263: ok 39453 263: ok 39454 263: ok 39455 263: ok 39456 263: ok 39457 263: ok 39458 263: ok 39459 263: ok 39460 263: ok 39461 263: ok 39462 263: ok 39463 263: ok 39464 263: ok 39465 263: ok 39466 263: ok 39467 263: ok 39468 263: ok 39469 263: ok 39470 263: ok 39471 263: ok 39472 263: ok 39473 263: ok 39474 263: ok 39475 263: ok 39476 263: ok 39477 263: ok 39478 263: ok 39479 263: ok 39480 263: ok 39481 263: ok 39482 263: ok 39483 263: ok 39484 263: ok 39485 263: ok 39486 263: ok 39487 263: ok 39488 263: ok 39489 263: ok 39490 263: ok 39491 263: ok 39492 263: ok 39493 263: ok 39494 263: ok 39495 263: ok 39496 263: ok 39497 263: ok 39498 263: ok 39499 263: ok 39500 263: ok 39501 263: ok 39502 263: ok 39503 263: ok 39504 263: ok 39505 263: ok 39506 263: ok 39507 263: ok 39508 263: ok 39509 263: ok 39510 263: ok 39511 263: ok 39512 263: ok 39513 263: ok 39514 263: ok 39515 263: ok 39516 263: ok 39517 263: ok 39518 263: ok 39519 263: ok 39520 263: ok 39521 263: ok 39522 263: ok 39523 263: ok 39524 263: ok 39525 263: ok 39526 263: ok 39527 263: ok 39528 263: ok 39529 263: ok 39530 263: ok 39531 263: ok 39532 263: ok 39533 263: ok 39534 263: ok 39535 263: ok 39536 263: ok 39537 263: ok 39538 263: ok 39539 263: ok 39540 263: ok 39541 263: ok 39542 263: ok 39543 263: ok 39544 263: ok 39545 263: ok 39546 263: ok 39547 263: ok 39548 263: ok 39549 263: ok 39550 263: ok 39551 263: ok 39552 263: ok 39553 263: ok 39554 263: ok 39555 263: ok 39556 263: ok 39557 263: ok 39558 263: ok 39559 263: ok 39560 263: ok 39561 263: ok 39562 263: ok 39563 263: ok 39564 263: ok 39565 263: ok 39566 263: ok 39567 263: ok 39568 263: ok 39569 263: ok 39570 263: ok 39571 263: ok 39572 263: ok 39573 263: ok 39574 263: ok 39575 263: ok 39576 263: ok 39577 263: ok 39578 263: ok 39579 263: ok 39580 263: ok 39581 263: ok 39582 263: ok 39583 263: ok 39584 263: ok 39585 263: ok 39586 263: ok 39587 263: ok 39588 263: ok 39589 263: ok 39590 263: ok 39591 263: ok 39592 263: ok 39593 263: ok 39594 263: ok 39595 263: ok 39596 263: ok 39597 263: ok 39598 263: ok 39599 263: ok 39600 263: ok 39601 263: ok 39602 263: ok 39603 263: ok 39604 263: ok 39605 263: ok 39606 263: ok 39607 263: ok 39608 263: ok 39609 263: ok 39610 263: ok 39611 263: ok 39612 263: ok 39613 263: ok 39614 263: ok 39615 263: ok 39616 263: ok 39617 263: ok 39618 263: ok 39619 263: ok 39620 263: ok 39621 263: ok 39622 263: ok 39623 263: ok 39624 263: ok 39625 263: ok 39626 263: ok 39627 263: ok 39628 263: ok 39629 263: ok 39630 263: ok 39631 263: ok 39632 263: ok 39633 263: ok 39634 263: ok 39635 263: ok 39636 263: ok 39637 263: ok 39638 263: ok 39639 263: ok 39640 263: ok 39641 263: ok 39642 263: ok 39643 263: ok 39644 263: ok 39645 263: ok 39646 263: ok 39647 263: ok 39648 263: ok 39649 263: ok 39650 263: ok 39651 263: ok 39652 263: ok 39653 263: ok 39654 263: ok 39655 263: ok 39656 263: ok 39657 263: ok 39658 263: ok 39659 263: ok 39660 263: ok 39661 263: ok 39662 263: ok 39663 263: ok 39664 263: ok 39665 263: ok 39666 263: ok 39667 263: ok 39668 263: ok 39669 263: ok 39670 263: ok 39671 263: ok 39672 263: ok 39673 263: ok 39674 263: ok 39675 263: ok 39676 263: ok 39677 263: ok 39678 263: ok 39679 263: ok 39680 263: ok 39681 263: ok 39682 263: ok 39683 263: ok 39684 263: ok 39685 263: ok 39686 263: ok 39687 263: ok 39688 263: ok 39689 263: ok 39690 263: ok 39691 263: ok 39692 263: ok 39693 263: ok 39694 263: ok 39695 263: ok 39696 263: ok 39697 263: ok 39698 263: ok 39699 263: ok 39700 263: ok 39701 263: ok 39702 263: ok 39703 263: ok 39704 263: ok 39705 263: ok 39706 263: ok 39707 263: ok 39708 263: ok 39709 263: ok 39710 263: ok 39711 263: ok 39712 263: ok 39713 263: ok 39714 263: ok 39715 263: ok 39716 263: ok 39717 263: ok 39718 263: ok 39719 263: ok 39720 263: ok 39721 263: ok 39722 263: ok 39723 263: ok 39724 263: ok 39725 263: ok 39726 263: ok 39727 263: ok 39728 263: ok 39729 263: ok 39730 263: ok 39731 263: ok 39732 263: ok 39733 263: ok 39734 263: ok 39735 263: ok 39736 263: ok 39737 263: ok 39738 263: ok 39739 263: ok 39740 263: ok 39741 263: ok 39742 263: ok 39743 263: ok 39744 263: ok 39745 263: ok 39746 263: ok 39747 263: ok 39748 263: ok 39749 263: ok 39750 263: ok 39751 263: ok 39752 263: ok 39753 263: ok 39754 263: ok 39755 263: ok 39756 263: ok 39757 263: ok 39758 263: ok 39759 263: ok 39760 263: ok 39761 263: ok 39762 263: ok 39763 263: ok 39764 263: ok 39765 263: ok 39766 263: ok 39767 263: ok 39768 263: ok 39769 263: ok 39770 263: ok 39771 263: ok 39772 263: ok 39773 263: ok 39774 263: ok 39775 263: ok 39776 263: ok 39777 263: ok 39778 263: ok 39779 263: ok 39780 263: ok 39781 263: ok 39782 263: ok 39783 263: ok 39784 263: ok 39785 263: ok 39786 263: ok 39787 263: ok 39788 263: ok 39789 263: ok 39790 263: ok 39791 263: ok 39792 263: ok 39793 263: ok 39794 263: ok 39795 263: ok 39796 263: ok 39797 263: ok 39798 263: ok 39799 263: ok 39800 263: ok 39801 263: ok 39802 263: ok 39803 263: ok 39804 263: ok 39805 263: ok 39806 263: ok 39807 263: ok 39808 263: ok 39809 263: ok 39810 263: ok 39811 263: ok 39812 263: ok 39813 263: ok 39814 263: ok 39815 263: ok 39816 263: ok 39817 263: ok 39818 263: ok 39819 263: ok 39820 263: ok 39821 263: ok 39822 263: ok 39823 263: ok 39824 263: ok 39825 263: ok 39826 263: ok 39827 263: ok 39828 263: ok 39829 263: ok 39830 263: ok 39831 263: ok 39832 263: ok 39833 263: ok 39834 263: ok 39835 263: ok 39836 263: ok 39837 263: ok 39838 263: ok 39839 263: ok 39840 263: ok 39841 263: ok 39842 263: ok 39843 263: ok 39844 263: ok 39845 263: ok 39846 263: ok 39847 263: ok 39848 263: ok 39849 263: ok 39850 263: ok 39851 263: ok 39852 263: ok 39853 263: ok 39854 263: ok 39855 263: ok 39856 263: ok 39857 263: ok 39858 263: ok 39859 263: ok 39860 263: ok 39861 263: ok 39862 263: ok 39863 263: ok 39864 263: ok 39865 263: ok 39866 263: ok 39867 263: ok 39868 263: ok 39869 263: ok 39870 263: ok 39871 263: ok 39872 263: ok 39873 263: ok 39874 263: ok 39875 263: ok 39876 263: ok 39877 263: ok 39878 263: ok 39879 263: ok 39880 263: ok 39881 263: ok 39882 263: ok 39883 263: ok 39884 263: ok 39885 263: ok 39886 263: ok 39887 263: ok 39888 263: ok 39889 263: ok 39890 263: ok 39891 263: ok 39892 263: ok 39893 263: ok 39894 263: ok 39895 263: ok 39896 263: ok 39897 263: ok 39898 263: ok 39899 263: ok 39900 263: ok 39901 263: ok 39902 263: ok 39903 263: ok 39904 263: ok 39905 263: ok 39906 263: ok 39907 263: ok 39908 263: ok 39909 263: ok 39910 263: ok 39911 263: ok 39912 263: ok 39913 263: ok 39914 263: ok 39915 263: ok 39916 263: ok 39917 263: ok 39918 263: ok 39919 263: ok 39920 263: ok 39921 263: ok 39922 263: ok 39923 263: ok 39924 263: ok 39925 263: ok 39926 263: ok 39927 263: ok 39928 263: ok 39929 263: ok 39930 263: ok 39931 263: ok 39932 263: ok 39933 263: ok 39934 263: ok 39935 263: ok 39936 263: ok 39937 263: ok 39938 263: ok 39939 263: ok 39940 263: ok 39941 263: ok 39942 263: ok 39943 263: ok 39944 263: ok 39945 263: ok 39946 263: ok 39947 263: ok 39948 263: ok 39949 263: ok 39950 263: ok 39951 263: ok 39952 263: ok 39953 263: ok 39954 263: ok 39955 263: ok 39956 263: ok 39957 263: ok 39958 263: ok 39959 263: ok 39960 263: ok 39961 263: ok 39962 263: ok 39963 263: ok 39964 263: ok 39965 263: ok 39966 263: ok 39967 263: ok 39968 263: ok 39969 263: ok 39970 263: ok 39971 263: ok 39972 263: ok 39973 263: ok 39974 263: ok 39975 263: ok 39976 263: ok 39977 263: ok 39978 263: ok 39979 263: ok 39980 263: ok 39981 263: ok 39982 263: ok 39983 263: ok 39984 263: ok 39985 263: ok 39986 263: ok 39987 263: ok 39988 263: ok 39989 263: ok 39990 263: ok 39991 263: ok 39992 263: ok 39993 263: ok 39994 263: ok 39995 263: ok 39996 263: ok 39997 263: ok 39998 263: ok 39999 263: ok 40000 263: ok 40001 263: ok 40002 263: ok 40003 263: ok 40004 263: ok 40005 263: ok 40006 263: ok 40007 263: ok 40008 263: ok 40009 263: ok 40010 263: ok 40011 263: ok 40012 263: ok 40013 263: ok 40014 263: ok 40015 263: ok 40016 263: ok 40017 263: ok 40018 263: ok 40019 263: ok 40020 263: ok 40021 263: ok 40022 263: ok 40023 263: ok 40024 263: ok 40025 263: ok 40026 263: ok 40027 263: ok 40028 263: ok 40029 263: ok 40030 263: ok 40031 263: ok 40032 263: ok 40033 263: ok 40034 263: ok 40035 263: ok 40036 263: ok 40037 263: ok 40038 263: ok 40039 263: ok 40040 263: ok 40041 263: ok 40042 263: ok 40043 263: ok 40044 263: ok 40045 263: ok 40046 263: ok 40047 263: ok 40048 263: ok 40049 263: ok 40050 263: ok 40051 263: ok 40052 263: ok 40053 263: ok 40054 263: ok 40055 263: ok 40056 263: ok 40057 263: ok 40058 263: ok 40059 263: ok 40060 263: ok 40061 263: ok 40062 263: ok 40063 263: ok 40064 263: ok 40065 263: ok 40066 263: ok 40067 263: ok 40068 263: ok 40069 263: ok 40070 263: ok 40071 263: ok 40072 263: ok 40073 263: ok 40074 263: ok 40075 263: ok 40076 263: ok 40077 263: ok 40078 263: ok 40079 263: ok 40080 263: ok 40081 263: ok 40082 263: ok 40083 263: ok 40084 263: ok 40085 263: ok 40086 263: ok 40087 263: ok 40088 263: ok 40089 263: ok 40090 263: ok 40091 263: ok 40092 263: ok 40093 263: ok 40094 263: ok 40095 263: ok 40096 263: ok 40097 263: ok 40098 263: ok 40099 263: ok 40100 263: ok 40101 263: ok 40102 263: ok 40103 263: ok 40104 263: ok 40105 263: ok 40106 263: ok 40107 263: ok 40108 263: ok 40109 263: ok 40110 263: ok 40111 263: ok 40112 263: ok 40113 263: ok 40114 263: ok 40115 263: ok 40116 263: ok 40117 263: ok 40118 263: ok 40119 263: ok 40120 263: ok 40121 263: ok 40122 263: ok 40123 263: ok 40124 263: ok 40125 263: ok 40126 263: ok 40127 263: ok 40128 263: ok 40129 263: ok 40130 263: ok 40131 263: ok 40132 263: ok 40133 263: ok 40134 263: ok 40135 263: ok 40136 263: ok 40137 263: ok 40138 263: ok 40139 263: ok 40140 263: ok 40141 263: ok 40142 263: ok 40143 263: ok 40144 263: ok 40145 263: ok 40146 263: ok 40147 263: ok 40148 263: ok 40149 263: ok 40150 263: ok 40151 263: ok 40152 263: ok 40153 263: ok 40154 263: ok 40155 263: ok 40156 263: ok 40157 263: ok 40158 263: ok 40159 263: ok 40160 263: ok 40161 263: ok 40162 263: ok 40163 263: ok 40164 263: ok 40165 263: ok 40166 263: ok 40167 263: ok 40168 263: ok 40169 263: ok 40170 263: ok 40171 263: ok 40172 263: ok 40173 263: ok 40174 263: ok 40175 263: ok 40176 263: ok 40177 263: ok 40178 263: ok 40179 263: ok 40180 263: ok 40181 263: ok 40182 263: ok 40183 263: ok 40184 263: ok 40185 263: ok 40186 263: ok 40187 263: ok 40188 263: ok 40189 263: ok 40190 263: ok 40191 263: ok 40192 263: ok 40193 263: ok 40194 263: ok 40195 263: ok 40196 263: ok 40197 263: ok 40198 263: ok 40199 263: ok 40200 263: ok 40201 263: ok 40202 263: ok 40203 263: ok 40204 263: ok 40205 263: ok 40206 263: ok 40207 263: ok 40208 263: ok 40209 263: ok 40210 263: ok 40211 263: ok 40212 263: ok 40213 263: ok 40214 263: ok 40215 263: ok 40216 263: ok 40217 263: ok 40218 263: ok 40219 263: ok 40220 263: ok 40221 263: ok 40222 263: ok 40223 263: ok 40224 263: ok 40225 263: ok 40226 263: ok 40227 263: ok 40228 263: ok 40229 263: ok 40230 263: ok 40231 263: ok 40232 263: ok 40233 263: ok 40234 263: ok 40235 263: ok 40236 263: ok 40237 263: ok 40238 263: ok 40239 263: ok 40240 263: ok 40241 263: ok 40242 263: ok 40243 263: ok 40244 263: ok 40245 263: ok 40246 263: ok 40247 263: ok 40248 263: ok 40249 263: ok 40250 263: ok 40251 263: ok 40252 263: ok 40253 263: ok 40254 263: ok 40255 263: ok 40256 263: ok 40257 263: ok 40258 263: ok 40259 263: ok 40260 263: ok 40261 263: ok 40262 263: ok 40263 263: ok 40264 263: ok 40265 263: ok 40266 263: ok 40267 263: ok 40268 263: ok 40269 263: ok 40270 263: ok 40271 263: ok 40272 263: ok 40273 263: ok 40274 263: ok 40275 263: ok 40276 263: ok 40277 263: ok 40278 263: ok 40279 263: ok 40280 263: ok 40281 263: ok 40282 263: ok 40283 263: ok 40284 263: ok 40285 263: ok 40286 263: ok 40287 263: ok 40288 263: ok 40289 263: ok 40290 263: ok 40291 263: ok 40292 263: ok 40293 263: ok 40294 263: ok 40295 263: ok 40296 263: ok 40297 263: ok 40298 263: ok 40299 263: ok 40300 263: ok 40301 263: ok 40302 263: ok 40303 263: ok 40304 263: ok 40305 263: ok 40306 263: ok 40307 263: ok 40308 263: ok 40309 263: ok 40310 263: ok 40311 263: ok 40312 263: ok 40313 263: ok 40314 263: ok 40315 263: ok 40316 263: ok 40317 263: ok 40318 263: ok 40319 263: ok 40320 263: ok 40321 263: ok 40322 263: ok 40323 263: ok 40324 263: ok 40325 263: ok 40326 263: ok 40327 263: ok 40328 263: ok 40329 263: ok 40330 263: ok 40331 263: ok 40332 263: ok 40333 263: ok 40334 263: ok 40335 263: ok 40336 263: ok 40337 263: ok 40338 263: ok 40339 263: ok 40340 263: ok 40341 263: ok 40342 263: ok 40343 263: ok 40344 263: ok 40345 263: ok 40346 263: ok 40347 263: ok 40348 263: ok 40349 263: ok 40350 263: ok 40351 263: ok 40352 263: ok 40353 263: ok 40354 263: ok 40355 263: ok 40356 263: ok 40357 263: ok 40358 263: ok 40359 263: ok 40360 263: ok 40361 263: ok 40362 263: ok 40363 263: ok 40364 263: ok 40365 263: ok 40366 263: ok 40367 263: ok 40368 263: ok 40369 263: ok 40370 263: ok 40371 263: ok 40372 263: ok 40373 263: ok 40374 263: ok 40375 263: ok 40376 263: ok 40377 263: ok 40378 263: ok 40379 263: ok 40380 263: ok 40381 263: ok 40382 263: ok 40383 263: ok 40384 263: ok 40385 263: ok 40386 263: ok 40387 263: ok 40388 263: ok 40389 263: ok 40390 263: ok 40391 263: ok 40392 263: ok 40393 263: ok 40394 263: ok 40395 263: ok 40396 263: ok 40397 263: ok 40398 263: ok 40399 263: ok 40400 263: ok 40401 263: ok 40402 263: ok 40403 263: ok 40404 263: ok 40405 263: ok 40406 263: ok 40407 263: ok 40408 263: ok 40409 263: ok 40410 263: ok 40411 263: ok 40412 263: ok 40413 263: ok 40414 263: ok 40415 263: ok 40416 263: ok 40417 263: ok 40418 263: ok 40419 263: ok 40420 263: ok 40421 263: ok 40422 263: ok 40423 263: ok 40424 263: ok 40425 263: ok 40426 263: ok 40427 263: ok 40428 263: ok 40429 263: ok 40430 263: ok 40431 263: ok 40432 263: ok 40433 263: ok 40434 263: ok 40435 263: ok 40436 263: ok 40437 263: ok 40438 263: ok 40439 263: ok 40440 263: ok 40441 263: ok 40442 263: ok 40443 263: ok 40444 263: ok 40445 263: ok 40446 263: ok 40447 263: ok 40448 263: ok 40449 263: ok 40450 263: ok 40451 263: ok 40452 263: ok 40453 263: ok 40454 263: ok 40455 263: ok 40456 263: ok 40457 263: ok 40458 263: ok 40459 263: ok 40460 263: ok 40461 263: ok 40462 263: ok 40463 263: ok 40464 263: ok 40465 263: ok 40466 263: ok 40467 263: ok 40468 263: ok 40469 263: ok 40470 263: ok 40471 263: ok 40472 263: ok 40473 263: ok 40474 263: ok 40475 263: ok 40476 263: ok 40477 263: ok 40478 263: ok 40479 263: ok 40480 263: ok 40481 263: ok 40482 263: ok 40483 263: ok 40484 263: ok 40485 263: ok 40486 263: ok 40487 263: ok 40488 263: ok 40489 263: ok 40490 263: ok 40491 263: ok 40492 263: ok 40493 263: ok 40494 263: ok 40495 263: ok 40496 263: ok 40497 263: ok 40498 263: ok 40499 263: ok 40500 263: ok 40501 263: ok 40502 263: ok 40503 263: ok 40504 263: ok 40505 263: ok 40506 263: ok 40507 263: ok 40508 263: ok 40509 263: ok 40510 263: ok 40511 263: ok 40512 263: ok 40513 263: ok 40514 263: ok 40515 263: ok 40516 263: ok 40517 263: ok 40518 263: ok 40519 263: ok 40520 263: ok 40521 263: ok 40522 263: ok 40523 263: ok 40524 263: ok 40525 263: ok 40526 263: ok 40527 263: ok 40528 263: ok 40529 263: ok 40530 263: ok 40531 263: ok 40532 263: ok 40533 263: ok 40534 263: ok 40535 263: ok 40536 263: ok 40537 263: ok 40538 263: ok 40539 263: ok 40540 263: ok 40541 263: ok 40542 263: ok 40543 263: ok 40544 263: ok 40545 263: ok 40546 263: ok 40547 263: ok 40548 263: ok 40549 263: ok 40550 263: ok 40551 263: ok 40552 263: ok 40553 263: ok 40554 263: ok 40555 263: ok 40556 263: ok 40557 263: ok 40558 263: ok 40559 263: ok 40560 263: ok 40561 263: ok 40562 263: ok 40563 263: ok 40564 263: ok 40565 263: ok 40566 263: ok 40567 263: ok 40568 263: ok 40569 263: ok 40570 263: ok 40571 263: ok 40572 263: ok 40573 263: ok 40574 263: ok 40575 263: ok 40576 263: ok 40577 263: ok 40578 263: ok 40579 263: ok 40580 263: ok 40581 263: ok 40582 263: ok 40583 263: ok 40584 263: ok 40585 263: ok 40586 263: ok 40587 263: ok 40588 263: ok 40589 263: ok 40590 263: ok 40591 263: ok 40592 263: ok 40593 263: ok 40594 263: ok 40595 263: ok 40596 263: ok 40597 263: ok 40598 263: ok 40599 263: ok 40600 263: ok 40601 263: ok 40602 263: ok 40603 263: ok 40604 263: ok 40605 263: ok 40606 263: ok 40607 263: ok 40608 263: ok 40609 263: ok 40610 263: ok 40611 263: ok 40612 263: ok 40613 263: ok 40614 263: ok 40615 263: ok 40616 263: ok 40617 263: ok 40618 263: ok 40619 263: ok 40620 263: ok 40621 263: ok 40622 263: ok 40623 263: ok 40624 263: ok 40625 263: ok 40626 263: ok 40627 263: ok 40628 263: ok 40629 263: ok 40630 263: ok 40631 263: ok 40632 263: ok 40633 263: ok 40634 263: ok 40635 263: ok 40636 263: ok 40637 263: ok 40638 263: ok 40639 263: ok 40640 263: ok 40641 263: ok 40642 263: ok 40643 263: ok 40644 263: ok 40645 263: ok 40646 263: ok 40647 263: ok 40648 263: ok 40649 263: ok 40650 263: ok 40651 263: ok 40652 263: ok 40653 263: ok 40654 263: ok 40655 263: ok 40656 263: ok 40657 263: ok 40658 263: ok 40659 263: ok 40660 263: ok 40661 263: ok 40662 263: ok 40663 263: ok 40664 263: ok 40665 263: ok 40666 263: ok 40667 263: ok 40668 263: ok 40669 263: ok 40670 263: ok 40671 263: ok 40672 263: ok 40673 263: ok 40674 263: ok 40675 263: ok 40676 263: ok 40677 263: ok 40678 263: ok 40679 263: ok 40680 263: ok 40681 263: ok 40682 263: ok 40683 263: ok 40684 263: ok 40685 263: ok 40686 263: ok 40687 263: ok 40688 263: ok 40689 263: ok 40690 263: ok 40691 263: ok 40692 263: ok 40693 263: ok 40694 263: ok 40695 263: ok 40696 263: ok 40697 263: ok 40698 263: ok 40699 263: ok 40700 263: ok 40701 263: ok 40702 263: ok 40703 263: ok 40704 263: ok 40705 263: ok 40706 263: ok 40707 263: ok 40708 263: ok 40709 263: ok 40710 263: ok 40711 263: ok 40712 263: ok 40713 263: ok 40714 263: ok 40715 263: ok 40716 263: ok 40717 263: ok 40718 263: ok 40719 263: ok 40720 263: ok 40721 263: ok 40722 263: ok 40723 263: ok 40724 263: ok 40725 263: ok 40726 263: ok 40727 263: ok 40728 263: ok 40729 263: ok 40730 263: ok 40731 263: ok 40732 263: ok 40733 263: ok 40734 263: ok 40735 263: ok 40736 263: ok 40737 263: ok 40738 263: ok 40739 263: ok 40740 263: ok 40741 263: ok 40742 263: ok 40743 263: ok 40744 263: ok 40745 263: ok 40746 263: ok 40747 263: ok 40748 263: ok 40749 263: ok 40750 263: ok 40751 263: ok 40752 263: ok 40753 263: ok 40754 263: ok 40755 263: ok 40756 263: ok 40757 263: ok 40758 263: ok 40759 263: ok 40760 263: ok 40761 263: ok 40762 263: ok 40763 263: ok 40764 263: ok 40765 263: ok 40766 263: ok 40767 263: ok 40768 263: ok 40769 263: ok 40770 263: ok 40771 263: ok 40772 263: ok 40773 263: ok 40774 263: ok 40775 263: ok 40776 263: ok 40777 263: ok 40778 263: ok 40779 263: ok 40780 263: ok 40781 263: ok 40782 263: ok 40783 263: ok 40784 263: ok 40785 263: ok 40786 263: ok 40787 263: ok 40788 263: ok 40789 263: ok 40790 263: ok 40791 263: ok 40792 263: ok 40793 263: ok 40794 263: ok 40795 263: ok 40796 263: ok 40797 263: ok 40798 263: ok 40799 263: ok 40800 263: ok 40801 263: ok 40802 263: ok 40803 263: ok 40804 263: ok 40805 263: ok 40806 263: ok 40807 263: ok 40808 263: ok 40809 263: ok 40810 263: ok 40811 263: ok 40812 263: ok 40813 263: ok 40814 263: ok 40815 263: ok 40816 263: ok 40817 263: ok 40818 263: ok 40819 263: ok 40820 263: ok 40821 263: ok 40822 263: ok 40823 263: ok 40824 263: ok 40825 263: ok 40826 263: ok 40827 263: ok 40828 263: ok 40829 263: ok 40830 263: ok 40831 263: ok 40832 263: ok 40833 263: ok 40834 263: ok 40835 263: ok 40836 263: ok 40837 263: ok 40838 263: ok 40839 263: ok 40840 263: ok 40841 263: ok 40842 263: ok 40843 263: ok 40844 263: ok 40845 263: ok 40846 263: ok 40847 263: ok 40848 263: ok 40849 263: ok 40850 263: ok 40851 263: ok 40852 263: ok 40853 263: ok 40854 263: ok 40855 263: ok 40856 263: ok 40857 263: ok 40858 263: ok 40859 263: ok 40860 263: ok 40861 263: ok 40862 263: ok 40863 263: ok 40864 263: ok 40865 263: ok 40866 263: ok 40867 263: ok 40868 263: ok 40869 263: ok 40870 263: ok 40871 263: ok 40872 263: ok 40873 263: ok 40874 263: ok 40875 263: ok 40876 263: ok 40877 263: ok 40878 263: ok 40879 263: ok 40880 263: ok 40881 263: ok 40882 263: ok 40883 263: ok 40884 263: ok 40885 263: ok 40886 263: ok 40887 263: ok 40888 263: ok 40889 263: ok 40890 263: ok 40891 263: ok 40892 263: ok 40893 263: ok 40894 263: ok 40895 263: ok 40896 263: ok 40897 263: ok 40898 263: ok 40899 263: ok 40900 263: ok 40901 263: ok 40902 263: ok 40903 263: ok 40904 263: ok 40905 263: ok 40906 263: ok 40907 263: ok 40908 263: ok 40909 263: ok 40910 263: ok 40911 263: ok 40912 263: ok 40913 263: ok 40914 263: ok 40915 263: ok 40916 263: ok 40917 263: ok 40918 263: ok 40919 263: ok 40920 263: ok 40921 263: ok 40922 263: ok 40923 263: ok 40924 263: ok 40925 263: ok 40926 263: ok 40927 263: ok 40928 263: ok 40929 263: ok 40930 263: ok 40931 263: ok 40932 263: ok 40933 263: ok 40934 263: ok 40935 263: ok 40936 263: ok 40937 263: ok 40938 263: ok 40939 263: ok 40940 263: ok 40941 263: ok 40942 263: ok 40943 263: ok 40944 263: ok 40945 263: ok 40946 263: ok 40947 263: ok 40948 263: ok 40949 263: ok 40950 263: ok 40951 263: ok 40952 263: ok 40953 263: ok 40954 263: ok 40955 263: ok 40956 263: ok 40957 263: ok 40958 263: ok 40959 263: ok 40960 263: ok 40961 263: ok 40962 263: ok 40963 263: ok 40964 263: ok 40965 263: ok 40966 263: ok 40967 263: ok 40968 263: ok 40969 263: ok 40970 263: ok 40971 263: ok 40972 263: ok 40973 263: ok 40974 263: ok 40975 263: ok 40976 263: ok 40977 263: ok 40978 263: ok 40979 263: ok 40980 263: ok 40981 263: ok 40982 263: ok 40983 263: ok 40984 263: ok 40985 263: ok 40986 263: ok 40987 263: ok 40988 263: ok 40989 263: ok 40990 263: ok 40991 263: ok 40992 263: ok 40993 263: ok 40994 263: ok 40995 263: ok 40996 263: ok 40997 263: ok 40998 263: ok 40999 263: ok 41000 263: ok 41001 263: ok 41002 263: ok 41003 263: ok 41004 263: ok 41005 263: ok 41006 263: ok 41007 263: ok 41008 263: ok 41009 263: ok 41010 263: ok 41011 263: ok 41012 263: ok 41013 263: ok 41014 263: ok 41015 263: ok 41016 263: ok 41017 263: ok 41018 263: ok 41019 263: ok 41020 263: ok 41021 263: ok 41022 263: ok 41023 263: ok 41024 263: ok 41025 263: ok 41026 263: ok 41027 263: ok 41028 263: ok 41029 263: ok 41030 263: ok 41031 263: ok 41032 263: ok 41033 263: ok 41034 263: ok 41035 263: ok 41036 263: ok 41037 263: ok 41038 263: ok 41039 263: ok 41040 263: ok 41041 263: ok 41042 263: ok 41043 263: ok 41044 263: ok 41045 263: ok 41046 263: ok 41047 263: ok 41048 263: ok 41049 263: ok 41050 263: ok 41051 263: ok 41052 263: ok 41053 263: ok 41054 263: ok 41055 263: ok 41056 263: ok 41057 263: ok 41058 263: ok 41059 263: ok 41060 263: ok 41061 263: ok 41062 263: ok 41063 263: ok 41064 263: ok 41065 263: ok 41066 263: ok 41067 263: ok 41068 263: ok 41069 263: ok 41070 263: ok 41071 263: ok 41072 263: ok 41073 263: ok 41074 263: ok 41075 263: ok 41076 263: ok 41077 263: ok 41078 263: ok 41079 263: ok 41080 263: ok 41081 263: ok 41082 263: ok 41083 263: ok 41084 263: ok 41085 263: ok 41086 263: ok 41087 263: ok 41088 263: ok 41089 263: ok 41090 263: ok 41091 263: ok 41092 263: ok 41093 263: ok 41094 263: ok 41095 263: ok 41096 263: ok 41097 263: ok 41098 263: ok 41099 263: ok 41100 263: ok 41101 263: ok 41102 263: ok 41103 263: ok 41104 263: ok 41105 263: ok 41106 263: ok 41107 263: ok 41108 263: ok 41109 263: ok 41110 263: ok 41111 263: ok 41112 263: ok 41113 263: ok 41114 263: ok 41115 263: ok 41116 263: ok 41117 263: ok 41118 263: ok 41119 263: ok 41120 263: ok 41121 263: ok 41122 263: ok 41123 263: ok 41124 263: ok 41125 263: ok 41126 263: ok 41127 263: ok 41128 263: ok 41129 263: ok 41130 263: ok 41131 263: ok 41132 263: ok 41133 263: ok 41134 263: ok 41135 263: ok 41136 263: ok 41137 263: ok 41138 263: ok 41139 263: ok 41140 263: ok 41141 263: ok 41142 263: ok 41143 263: ok 41144 263: ok 41145 263: ok 41146 263: ok 41147 263: ok 41148 263: ok 41149 263: ok 41150 263: ok 41151 263: ok 41152 263: ok 41153 263: ok 41154 263: ok 41155 263: ok 41156 263: ok 41157 263: ok 41158 263: ok 41159 263: ok 41160 263: ok 41161 263: ok 41162 263: ok 41163 263: ok 41164 263: ok 41165 263: ok 41166 263: ok 41167 263: ok 41168 263: ok 41169 263: ok 41170 263: ok 41171 263: ok 41172 263: ok 41173 263: ok 41174 263: ok 41175 263: ok 41176 263: ok 41177 263: ok 41178 263: ok 41179 263: ok 41180 263: ok 41181 263: ok 41182 263: ok 41183 263: ok 41184 263: ok 41185 263: ok 41186 263: ok 41187 263: ok 41188 263: ok 41189 263: ok 41190 263: ok 41191 263: ok 41192 263: ok 41193 263: ok 41194 263: ok 41195 263: ok 41196 263: ok 41197 263: ok 41198 263: ok 41199 263: ok 41200 263: ok 41201 263: ok 41202 263: ok 41203 263: ok 41204 263: ok 41205 263: ok 41206 263: ok 41207 263: ok 41208 263: ok 41209 263: ok 41210 263: ok 41211 263: ok 41212 263: ok 41213 263: ok 41214 263: ok 41215 263: ok 41216 263: ok 41217 263: ok 41218 263: ok 41219 263: ok 41220 263: ok 41221 263: ok 41222 263: ok 41223 263: ok 41224 263: ok 41225 263: ok 41226 263: ok 41227 263: ok 41228 263: ok 41229 263: ok 41230 263: ok 41231 263: ok 41232 263: ok 41233 263: ok 41234 263: ok 41235 263: ok 41236 263: ok 41237 263: ok 41238 263: ok 41239 263: ok 41240 263: ok 41241 263: ok 41242 263: ok 41243 263: ok 41244 263: ok 41245 263: ok 41246 263: ok 41247 263: ok 41248 263: ok 41249 263: ok 41250 263: ok 41251 263: ok 41252 263: ok 41253 263: ok 41254 263: ok 41255 263: ok 41256 263: ok 41257 263: ok 41258 263: ok 41259 263: ok 41260 263: ok 41261 263: ok 41262 263: ok 41263 263: ok 41264 263: ok 41265 263: ok 41266 263: ok 41267 263: ok 41268 263: ok 41269 263: ok 41270 263: ok 41271 263: ok 41272 263: ok 41273 263: ok 41274 263: ok 41275 263: ok 41276 263: ok 41277 263: ok 41278 263: ok 41279 263: ok 41280 263: ok 41281 263: ok 41282 263: ok 41283 263: ok 41284 263: ok 41285 263: ok 41286 263: ok 41287 263: ok 41288 263: ok 41289 263: ok 41290 263: ok 41291 263: ok 41292 263: ok 41293 263: ok 41294 263: ok 41295 263: ok 41296 263: ok 41297 263: ok 41298 263: ok 41299 263: ok 41300 263: ok 41301 263: ok 41302 263: ok 41303 263: ok 41304 263: ok 41305 263: ok 41306 263: ok 41307 263: ok 41308 263: ok 41309 263: ok 41310 263: ok 41311 263: ok 41312 263: ok 41313 263: ok 41314 263: ok 41315 263: ok 41316 263: ok 41317 263: ok 41318 263: ok 41319 263: ok 41320 263: ok 41321 263: ok 41322 263: ok 41323 263: ok 41324 263: ok 41325 263: ok 41326 263: ok 41327 263: ok 41328 263: ok 41329 263: ok 41330 263: ok 41331 263: ok 41332 263: ok 41333 263: ok 41334 263: ok 41335 263: ok 41336 263: ok 41337 263: ok 41338 263: ok 41339 263: ok 41340 263: ok 41341 263: ok 41342 263: ok 41343 263: ok 41344 263: ok 41345 263: ok 41346 263: ok 41347 263: ok 41348 263: ok 41349 263: ok 41350 263: ok 41351 263: ok 41352 263: ok 41353 263: ok 41354 263: ok 41355 263: ok 41356 263: ok 41357 263: ok 41358 263: ok 41359 263: ok 41360 263: ok 41361 263: ok 41362 263: ok 41363 263: ok 41364 263: ok 41365 263: ok 41366 263: ok 41367 263: ok 41368 263: ok 41369 263: ok 41370 263: ok 41371 263: ok 41372 263: ok 41373 263: ok 41374 263: ok 41375 263: ok 41376 263: ok 41377 263: ok 41378 263: ok 41379 263: ok 41380 263: ok 41381 263: ok 41382 263: ok 41383 263: ok 41384 263: ok 41385 263: ok 41386 263: ok 41387 263: ok 41388 263: ok 41389 263: ok 41390 263: ok 41391 263: ok 41392 263: ok 41393 263: ok 41394 263: ok 41395 263: ok 41396 263: ok 41397 263: ok 41398 263: ok 41399 263: ok 41400 263: ok 41401 263: ok 41402 263: ok 41403 263: ok 41404 263: ok 41405 263: ok 41406 263: ok 41407 263: ok 41408 263: ok 41409 263: ok 41410 263: ok 41411 263: ok 41412 263: ok 41413 263: ok 41414 263: ok 41415 263: ok 41416 263: ok 41417 263: ok 41418 263: ok 41419 263: ok 41420 263: ok 41421 263: ok 41422 263: ok 41423 263: ok 41424 263: ok 41425 263: ok 41426 263: ok 41427 263: ok 41428 263: ok 41429 263: ok 41430 263: ok 41431 263: ok 41432 263: ok 41433 263: ok 41434 263: ok 41435 263: ok 41436 263: ok 41437 263: ok 41438 263: ok 41439 263: ok 41440 263: ok 41441 263: ok 41442 263: ok 41443 263: ok 41444 263: ok 41445 263: ok 41446 263: ok 41447 263: ok 41448 263: ok 41449 263: ok 41450 263: ok 41451 263: ok 41452 263: ok 41453 263: ok 41454 263: ok 41455 263: ok 41456 263: ok 41457 263: ok 41458 263: ok 41459 263: ok 41460 263: ok 41461 263: ok 41462 263: ok 41463 263: ok 41464 263: ok 41465 263: ok 41466 263: ok 41467 263: ok 41468 263: ok 41469 263: ok 41470 263: ok 41471 263: ok 41472 263: ok 41473 263: ok 41474 263: ok 41475 263: ok 41476 263: ok 41477 263: ok 41478 263: ok 41479 263: ok 41480 263: ok 41481 263: ok 41482 263: ok 41483 263: ok 41484 263: ok 41485 263: ok 41486 263: ok 41487 263: ok 41488 263: ok 41489 263: ok 41490 263: ok 41491 263: ok 41492 263: ok 41493 263: ok 41494 263: ok 41495 263: ok 41496 263: ok 41497 263: ok 41498 263: ok 41499 263: ok 41500 263: ok 41501 263: ok 41502 263: ok 41503 263: ok 41504 263: ok 41505 263: ok 41506 263: ok 41507 263: ok 41508 263: ok 41509 263: ok 41510 263: ok 41511 263: ok 41512 263: ok 41513 263: ok 41514 263: ok 41515 263: ok 41516 263: ok 41517 263: ok 41518 263: ok 41519 263: ok 41520 263: ok 41521 263: ok 41522 263: ok 41523 263: ok 41524 263: ok 41525 263: ok 41526 263: ok 41527 263: ok 41528 263: ok 41529 263: ok 41530 263: ok 41531 263: ok 41532 263: ok 41533 263: ok 41534 263: ok 41535 263: ok 41536 263: ok 41537 263: ok 41538 263: ok 41539 263: ok 41540 263: ok 41541 263: ok 41542 263: ok 41543 263: ok 41544 263: ok 41545 263: ok 41546 263: ok 41547 263: ok 41548 263: ok 41549 263: ok 41550 263: ok 41551 263: ok 41552 263: ok 41553 263: ok 41554 263: ok 41555 263: ok 41556 263: ok 41557 263: ok 41558 263: ok 41559 263: ok 41560 263: ok 41561 263: ok 41562 263: ok 41563 263: ok 41564 263: ok 41565 263: ok 41566 263: ok 41567 263: ok 41568 263: ok 41569 263: ok 41570 263: ok 41571 263: ok 41572 263: ok 41573 263: ok 41574 263: ok 41575 263: ok 41576 263: ok 41577 263: ok 41578 263: ok 41579 263: ok 41580 263: ok 41581 263: ok 41582 263: ok 41583 263: ok 41584 263: ok 41585 263: ok 41586 263: ok 41587 263: ok 41588 263: ok 41589 263: ok 41590 263: ok 41591 263: ok 41592 263: ok 41593 263: ok 41594 263: ok 41595 263: ok 41596 263: ok 41597 263: ok 41598 263: ok 41599 263: ok 41600 263: ok 41601 263: ok 41602 263: ok 41603 263: ok 41604 263: ok 41605 263: ok 41606 263: ok 41607 263: ok 41608 263: ok 41609 263: ok 41610 263: ok 41611 263: ok 41612 263: ok 41613 263: ok 41614 263: ok 41615 263: ok 41616 263: ok 41617 263: ok 41618 263: ok 41619 263: ok 41620 263: ok 41621 263: ok 41622 263: ok 41623 263: ok 41624 263: ok 41625 263: ok 41626 263: ok 41627 263: ok 41628 263: ok 41629 263: ok 41630 263: ok 41631 263: ok 41632 263: ok 41633 263: ok 41634 263: ok 41635 263: ok 41636 263: ok 41637 263: ok 41638 263: ok 41639 263: ok 41640 263: ok 41641 263: ok 41642 263: ok 41643 263: ok 41644 263: ok 41645 263: ok 41646 263: ok 41647 263: ok 41648 263: ok 41649 263: ok 41650 263: ok 41651 263: ok 41652 263: ok 41653 263: ok 41654 263: ok 41655 263: ok 41656 263: ok 41657 263: ok 41658 263: ok 41659 263: ok 41660 263: ok 41661 263: ok 41662 263: ok 41663 263: ok 41664 263: ok 41665 263: ok 41666 263: ok 41667 263: ok 41668 263: ok 41669 263: ok 41670 263: ok 41671 263: ok 41672 263: ok 41673 263: ok 41674 263: ok 41675 263: ok 41676 263: ok 41677 263: ok 41678 263: ok 41679 263: ok 41680 263: ok 41681 263: ok 41682 263: ok 41683 263: ok 41684 263: ok 41685 263: ok 41686 263: ok 41687 263: ok 41688 263: ok 41689 263: ok 41690 263: ok 41691 263: ok 41692 263: ok 41693 263: ok 41694 263: ok 41695 263: ok 41696 263: ok 41697 263: ok 41698 263: ok 41699 263: ok 41700 263: ok 41701 263: ok 41702 263: ok 41703 263: ok 41704 263: ok 41705 263: ok 41706 263: ok 41707 263: ok 41708 263: ok 41709 263: ok 41710 263: ok 41711 263: ok 41712 263: ok 41713 263: ok 41714 263: ok 41715 263: ok 41716 263: ok 41717 263: ok 41718 263: ok 41719 263: ok 41720 263: ok 41721 263: ok 41722 263: ok 41723 263: ok 41724 263: ok 41725 263: ok 41726 263: ok 41727 263: ok 41728 263: ok 41729 263: ok 41730 263: ok 41731 263: ok 41732 263: ok 41733 263: ok 41734 263: ok 41735 263: ok 41736 263: ok 41737 263: ok 41738 263: ok 41739 263: ok 41740 263: ok 41741 263: ok 41742 263: ok 41743 263: ok 41744 263: ok 41745 263: ok 41746 263: ok 41747 263: ok 41748 263: ok 41749 263: ok 41750 263: ok 41751 263: ok 41752 263: ok 41753 263: ok 41754 263: ok 41755 263: ok 41756 263: ok 41757 263: ok 41758 263: ok 41759 263: ok 41760 263: ok 41761 263: ok 41762 263: ok 41763 263: ok 41764 263: ok 41765 263: ok 41766 263: ok 41767 263: ok 41768 263: ok 41769 263: ok 41770 263: ok 41771 263: ok 41772 263: ok 41773 263: ok 41774 263: ok 41775 263: ok 41776 263: ok 41777 263: ok 41778 263: ok 41779 263: ok 41780 263: ok 41781 263: ok 41782 263: ok 41783 263: ok 41784 263: ok 41785 263: ok 41786 263: ok 41787 263: ok 41788 263: ok 41789 263: ok 41790 263: ok 41791 263: ok 41792 263: ok 41793 263: ok 41794 263: ok 41795 263: ok 41796 263: ok 41797 263: ok 41798 263: ok 41799 263: ok 41800 263: ok 41801 263: ok 41802 263: ok 41803 263: ok 41804 263: ok 41805 263: ok 41806 263: ok 41807 263: ok 41808 263: ok 41809 263: ok 41810 263: ok 41811 263: ok 41812 263: ok 41813 263: ok 41814 263: ok 41815 263: ok 41816 263: ok 41817 263: ok 41818 263: ok 41819 263: ok 41820 263: ok 41821 263: ok 41822 263: ok 41823 263: ok 41824 263: ok 41825 263: ok 41826 263: ok 41827 263: ok 41828 263: ok 41829 263: ok 41830 263: ok 41831 263: ok 41832 263: ok 41833 263: ok 41834 263: ok 41835 263: ok 41836 263: ok 41837 263: ok 41838 263: ok 41839 263: ok 41840 263: ok 41841 263: ok 41842 263: ok 41843 263: ok 41844 263: ok 41845 263: ok 41846 263: ok 41847 263: ok 41848 263: ok 41849 263: ok 41850 263: ok 41851 263: ok 41852 263: ok 41853 263: ok 41854 263: ok 41855 263: ok 41856 263: ok 41857 263: ok 41858 263: ok 41859 263: ok 41860 263: ok 41861 263: ok 41862 263: ok 41863 263: ok 41864 263: ok 41865 263: ok 41866 263: ok 41867 263: ok 41868 263: ok 41869 263: ok 41870 263: ok 41871 263: ok 41872 263: ok 41873 263: ok 41874 263: ok 41875 263: ok 41876 263: ok 41877 263: ok 41878 263: ok 41879 263: ok 41880 263: ok 41881 263: ok 41882 263: ok 41883 263: ok 41884 263: ok 41885 263: ok 41886 263: ok 41887 263: ok 41888 263: ok 41889 263: ok 41890 263: ok 41891 263: ok 41892 263: ok 41893 263: ok 41894 263: ok 41895 263: ok 41896 263: ok 41897 263: ok 41898 263: ok 41899 263: ok 41900 263: ok 41901 263: ok 41902 263: ok 41903 263: ok 41904 263: ok 41905 263: ok 41906 263: ok 41907 263: ok 41908 263: ok 41909 263: ok 41910 263: ok 41911 263: ok 41912 263: ok 41913 263: ok 41914 263: ok 41915 263: ok 41916 263: ok 41917 263: ok 41918 263: ok 41919 263: ok 41920 263: ok 41921 263: ok 41922 263: ok 41923 263: ok 41924 263: ok 41925 263: ok 41926 263: ok 41927 263: ok 41928 263: ok 41929 263: ok 41930 263: ok 41931 263: ok 41932 263: ok 41933 263: ok 41934 263: ok 41935 263: ok 41936 263: ok 41937 263: ok 41938 263: ok 41939 263: ok 41940 263: ok 41941 263: ok 41942 263: ok 41943 263: ok 41944 263: ok 41945 263: ok 41946 263: ok 41947 263: ok 41948 263: ok 41949 263: ok 41950 263: ok 41951 263: ok 41952 263: ok 41953 263: ok 41954 263: ok 41955 263: ok 41956 263: ok 41957 263: ok 41958 263: ok 41959 263: ok 41960 263: ok 41961 263: ok 41962 263: ok 41963 263: ok 41964 263: ok 41965 263: ok 41966 263: ok 41967 263: ok 41968 263: ok 41969 263: ok 41970 263: ok 41971 263: ok 41972 263: ok 41973 263: ok 41974 263: ok 41975 263: ok 41976 263: ok 41977 263: ok 41978 263: ok 41979 263: ok 41980 263: ok 41981 263: ok 41982 263: ok 41983 263: ok 41984 263: ok 41985 263: ok 41986 263: ok 41987 263: ok 41988 263: ok 41989 263: ok 41990 263: ok 41991 263: ok 41992 263: ok 41993 263: ok 41994 263: ok 41995 263: ok 41996 263: ok 41997 263: ok 41998 263: ok 41999 263: ok 42000 263: ok 42001 263: ok 42002 263: ok 42003 263: ok 42004 263: ok 42005 263: ok 42006 263: ok 42007 263: ok 42008 263: ok 42009 263: ok 42010 263: ok 42011 263: ok 42012 263: ok 42013 263: ok 42014 263: ok 42015 263: ok 42016 263: ok 42017 263: ok 42018 263: ok 42019 263: ok 42020 263: ok 42021 263: ok 42022 263: ok 42023 263: ok 42024 263: ok 42025 263: ok 42026 263: ok 42027 263: ok 42028 263: ok 42029 263: ok 42030 263: ok 42031 263: ok 42032 263: ok 42033 263: ok 42034 263: ok 42035 263: ok 42036 263: ok 42037 263: ok 42038 263: ok 42039 263: ok 42040 263: ok 42041 263: ok 42042 263: ok 42043 263: ok 42044 263: ok 42045 263: ok 42046 263: ok 42047 263: ok 42048 263: ok 42049 263: ok 42050 263: ok 42051 263: ok 42052 263: ok 42053 263: ok 42054 263: ok 42055 263: ok 42056 263: ok 42057 263: ok 42058 263: ok 42059 263: ok 42060 263: ok 42061 263: ok 42062 263: ok 42063 263: ok 42064 263: ok 42065 263: ok 42066 263: ok 42067 263: ok 42068 263: ok 42069 263: ok 42070 263: ok 42071 263: ok 42072 263: ok 42073 263: ok 42074 263: ok 42075 263: ok 42076 263: ok 42077 263: ok 42078 263: ok 42079 263: ok 42080 263: ok 42081 263: ok 42082 263: ok 42083 263: ok 42084 263: ok 42085 263: ok 42086 263: ok 42087 263: ok 42088 263: ok 42089 263: ok 42090 263: ok 42091 263: ok 42092 263: ok 42093 263: ok 42094 263: ok 42095 263: ok 42096 263: ok 42097 263: ok 42098 263: ok 42099 263: ok 42100 263: ok 42101 263: ok 42102 263: ok 42103 263: ok 42104 263: ok 42105 263: ok 42106 263: ok 42107 263: ok 42108 263: ok 42109 263: ok 42110 263: ok 42111 263: ok 42112 263: ok 42113 263: ok 42114 263: ok 42115 263: ok 42116 263: ok 42117 263: ok 42118 263: ok 42119 263: ok 42120 263: ok 42121 263: ok 42122 263: ok 42123 263: ok 42124 263: ok 42125 263: ok 42126 263: ok 42127 263: ok 42128 263: ok 42129 263: ok 42130 263: ok 42131 263: ok 42132 263: ok 42133 263: ok 42134 263: ok 42135 263: ok 42136 263: ok 42137 263: ok 42138 263: ok 42139 263: ok 42140 263: ok 42141 263: ok 42142 263: ok 42143 263: ok 42144 263: ok 42145 263: ok 42146 263: ok 42147 263: ok 42148 263: ok 42149 263: ok 42150 263: ok 42151 263: ok 42152 263: ok 42153 263: ok 42154 263: ok 42155 263: ok 42156 263: ok 42157 263: ok 42158 263: ok 42159 263: ok 42160 263: ok 42161 263: ok 42162 263: ok 42163 263: ok 42164 263: ok 42165 263: ok 42166 263: ok 42167 263: ok 42168 263: ok 42169 263: ok 42170 263: ok 42171 263: ok 42172 263: ok 42173 263: ok 42174 263: ok 42175 263: ok 42176 263: ok 42177 263: ok 42178 263: ok 42179 263: ok 42180 263: ok 42181 263: ok 42182 263: ok 42183 263: ok 42184 263: ok 42185 263: ok 42186 263: ok 42187 263: ok 42188 263: ok 42189 263: ok 42190 263: ok 42191 263: ok 42192 263: ok 42193 263: ok 42194 263: ok 42195 263: ok 42196 263: ok 42197 263: ok 42198 263: ok 42199 263: ok 42200 263: ok 42201 263: ok 42202 263: ok 42203 263: ok 42204 263: ok 42205 263: ok 42206 263: ok 42207 263: ok 42208 263: ok 42209 263: ok 42210 263: ok 42211 263: ok 42212 263: ok 42213 263: ok 42214 263: ok 42215 263: ok 42216 263: ok 42217 263: ok 42218 263: ok 42219 263: ok 42220 263: ok 42221 263: ok 42222 263: ok 42223 263: ok 42224 263: ok 42225 263: ok 42226 263: ok 42227 263: ok 42228 263: ok 42229 263: ok 42230 263: ok 42231 263: ok 42232 263: ok 42233 263: ok 42234 263: ok 42235 263: ok 42236 263: ok 42237 263: ok 42238 263: ok 42239 263: ok 42240 263: ok 42241 263: ok 42242 263: ok 42243 263: ok 42244 263: ok 42245 263: ok 42246 263: ok 42247 263: ok 42248 263: ok 42249 263: ok 42250 263: ok 42251 263: ok 42252 263: ok 42253 263: ok 42254 263: ok 42255 263: ok 42256 263: ok 42257 263: ok 42258 263: ok 42259 263: ok 42260 263: ok 42261 263: ok 42262 263: ok 42263 263: ok 42264 263: ok 42265 263: ok 42266 263: ok 42267 263: ok 42268 263: ok 42269 263: ok 42270 263: ok 42271 263: ok 42272 263: ok 42273 263: ok 42274 263: ok 42275 263: ok 42276 263: ok 42277 263: ok 42278 263: ok 42279 263: ok 42280 263: ok 42281 263: ok 42282 263: ok 42283 263: ok 42284 263: ok 42285 263: ok 42286 263: ok 42287 263: ok 42288 263: ok 42289 263: ok 42290 263: ok 42291 263: ok 42292 263: ok 42293 263: ok 42294 263: ok 42295 263: ok 42296 263: ok 42297 263: ok 42298 263: ok 42299 263: ok 42300 263: ok 42301 263: ok 42302 263: ok 42303 263: ok 42304 263: ok 42305 263: ok 42306 263: ok 42307 263: ok 42308 263: ok 42309 263: ok 42310 263: ok 42311 263: ok 42312 263: ok 42313 263: ok 42314 263: ok 42315 263: ok 42316 263: ok 42317 263: ok 42318 263: ok 42319 263: ok 42320 263: ok 42321 263: ok 42322 263: ok 42323 263: ok 42324 263: ok 42325 263: ok 42326 263: ok 42327 263: ok 42328 263: ok 42329 263: ok 42330 263: ok 42331 263: ok 42332 263: ok 42333 263: ok 42334 263: ok 42335 263: ok 42336 263: ok 42337 263: ok 42338 263: ok 42339 263: ok 42340 263: ok 42341 263: ok 42342 263: ok 42343 263: ok 42344 263: ok 42345 263: ok 42346 263: ok 42347 263: ok 42348 263: ok 42349 263: ok 42350 263: ok 42351 263: ok 42352 263: ok 42353 263: ok 42354 263: ok 42355 263: ok 42356 263: ok 42357 263: ok 42358 263: ok 42359 263: ok 42360 263: ok 42361 263: ok 42362 263: ok 42363 263: ok 42364 263: ok 42365 263: ok 42366 263: ok 42367 263: ok 42368 263: ok 42369 263: ok 42370 263: ok 42371 263: ok 42372 263: ok 42373 263: ok 42374 263: ok 42375 263: ok 42376 263: ok 42377 263: ok 42378 263: ok 42379 263: ok 42380 263: ok 42381 263: ok 42382 263: ok 42383 263: ok 42384 263: ok 42385 263: ok 42386 263: ok 42387 263: ok 42388 263: ok 42389 263: ok 42390 263: ok 42391 263: ok 42392 263: ok 42393 263: ok 42394 263: ok 42395 263: ok 42396 263: ok 42397 263: ok 42398 263: ok 42399 263: ok 42400 263: ok 42401 263: ok 42402 263: ok 42403 263: ok 42404 263: ok 42405 263: ok 42406 263: ok 42407 263: ok 42408 263: ok 42409 263: ok 42410 263: ok 42411 263: ok 42412 263: ok 42413 263: ok 42414 263: ok 42415 263: ok 42416 263: ok 42417 263: ok 42418 263: ok 42419 263: ok 42420 263: ok 42421 263: ok 42422 263: ok 42423 263: ok 42424 263: ok 42425 263: ok 42426 263: ok 42427 263: ok 42428 263: ok 42429 263: ok 42430 263: ok 42431 263: ok 42432 263: ok 42433 263: ok 42434 263: ok 42435 263: ok 42436 263: ok 42437 263: ok 42438 263: ok 42439 263: ok 42440 263: ok 42441 263: ok 42442 263: ok 42443 263: ok 42444 263: ok 42445 263: ok 42446 263: ok 42447 263: ok 42448 263: ok 42449 263: ok 42450 263: ok 42451 263: ok 42452 263: ok 42453 263: ok 42454 263: ok 42455 263: ok 42456 263: ok 42457 263: ok 42458 263: ok 42459 263: ok 42460 263: ok 42461 263: ok 42462 263: ok 42463 263: ok 42464 263: ok 42465 263: ok 42466 263: ok 42467 263: ok 42468 263: ok 42469 263: ok 42470 263: ok 42471 263: ok 42472 263: ok 42473 263: ok 42474 263: ok 42475 263: ok 42476 263: ok 42477 263: ok 42478 263: ok 42479 263: ok 42480 263: ok 42481 263: ok 42482 263: ok 42483 263: ok 42484 263: ok 42485 263: ok 42486 263: ok 42487 263: ok 42488 263: ok 42489 263: ok 42490 263: ok 42491 263: ok 42492 263: ok 42493 263: ok 42494 263: ok 42495 263: ok 42496 263: ok 42497 263: ok 42498 263: ok 42499 263: ok 42500 263: ok 42501 263: ok 42502 263: ok 42503 263: ok 42504 263: ok 42505 263: ok 42506 263: ok 42507 263: ok 42508 263: ok 42509 263: ok 42510 263: ok 42511 263: ok 42512 263: ok 42513 263: ok 42514 263: ok 42515 263: ok 42516 263: ok 42517 263: ok 42518 263: ok 42519 263: ok 42520 263: ok 42521 263: ok 42522 263: ok 42523 263: ok 42524 263: ok 42525 263: ok 42526 263: ok 42527 263: ok 42528 263: ok 42529 263: ok 42530 263: ok 42531 263: ok 42532 263: ok 42533 263: ok 42534 263: ok 42535 263: ok 42536 263: ok 42537 263: ok 42538 263: ok 42539 263: ok 42540 263: ok 42541 263: ok 42542 263: ok 42543 263: ok 42544 263: ok 42545 263: ok 42546 263: ok 42547 263: ok 42548 263: ok 42549 263: ok 42550 263: ok 42551 263: ok 42552 263: ok 42553 263: ok 42554 263: ok 42555 263: ok 42556 263: ok 42557 263: ok 42558 263: ok 42559 263: ok 42560 263: ok 42561 263: ok 42562 263: ok 42563 263: ok 42564 263: ok 42565 263: ok 42566 263: ok 42567 263: ok 42568 263: ok 42569 263: ok 42570 263: ok 42571 263: ok 42572 263: ok 42573 263: ok 42574 263: ok 42575 263: ok 42576 263: ok 42577 263: ok 42578 263: ok 42579 263: ok 42580 263: ok 42581 263: ok 42582 263: ok 42583 263: ok 42584 263: ok 42585 263: ok 42586 263: ok 42587 263: ok 42588 263: ok 42589 263: ok 42590 263: ok 42591 263: ok 42592 263: ok 42593 263: ok 42594 263: ok 42595 263: ok 42596 263: ok 42597 263: ok 42598 263: ok 42599 263: ok 42600 263: ok 42601 263: ok 42602 263: ok 42603 263: ok 42604 263: ok 42605 263: ok 42606 263: ok 42607 263: ok 42608 263: ok 42609 263: ok 42610 263: ok 42611 263: ok 42612 263: ok 42613 263: ok 42614 263: ok 42615 263: ok 42616 263: ok 42617 263: ok 42618 263: ok 42619 263: ok 42620 263: ok 42621 263: ok 42622 263: ok 42623 263: ok 42624 263: ok 42625 263: ok 42626 263: ok 42627 263: ok 42628 263: ok 42629 263: ok 42630 263: ok 42631 263: ok 42632 263: ok 42633 263: ok 42634 263: ok 42635 263: ok 42636 263: ok 42637 263: ok 42638 263: ok 42639 263: ok 42640 263: ok 42641 263: ok 42642 263: ok 42643 263: ok 42644 263: ok 42645 263: ok 42646 263: ok 42647 263: ok 42648 263: ok 42649 263: ok 42650 263: ok 42651 263: ok 42652 263: ok 42653 263: ok 42654 263: ok 42655 263: ok 42656 263: ok 42657 263: ok 42658 263: ok 42659 263: ok 42660 263: ok 42661 263: ok 42662 263: ok 42663 263: ok 42664 263: ok 42665 263: ok 42666 263: ok 42667 263: ok 42668 263: ok 42669 263: ok 42670 263: ok 42671 263: ok 42672 263: ok 42673 263: ok 42674 263: ok 42675 263: ok 42676 263: ok 42677 263: ok 42678 263: ok 42679 263: ok 42680 263: ok 42681 263: ok 42682 263: ok 42683 263: ok 42684 263: ok 42685 263: ok 42686 263: ok 42687 263: ok 42688 263: ok 42689 263: ok 42690 263: ok 42691 263: ok 42692 263: ok 42693 263: ok 42694 263: ok 42695 263: ok 42696 263: ok 42697 263: ok 42698 263: ok 42699 263: ok 42700 263: ok 42701 263: ok 42702 263: ok 42703 263: ok 42704 263: ok 42705 263: ok 42706 263: ok 42707 263: ok 42708 263: ok 42709 263: ok 42710 263: ok 42711 263: ok 42712 263: ok 42713 263: ok 42714 263: ok 42715 263: ok 42716 263: ok 42717 263: ok 42718 263: ok 42719 263: ok 42720 263: ok 42721 263: ok 42722 263: ok 42723 263: ok 42724 263: ok 42725 263: ok 42726 263: ok 42727 263: ok 42728 263: ok 42729 263: ok 42730 263: ok 42731 263: ok 42732 263: ok 42733 263: ok 42734 263: ok 42735 263: ok 42736 263: ok 42737 263: ok 42738 263: ok 42739 263: ok 42740 263: ok 42741 263: ok 42742 263: ok 42743 263: ok 42744 263: ok 42745 263: ok 42746 263: ok 42747 263: ok 42748 263: ok 42749 263: ok 42750 263: ok 42751 263: ok 42752 263: ok 42753 263: ok 42754 263: ok 42755 263: ok 42756 263: ok 42757 263: ok 42758 263: ok 42759 263: ok 42760 263: ok 42761 263: ok 42762 263: ok 42763 263: ok 42764 263: ok 42765 263: ok 42766 263: ok 42767 263: ok 42768 263: ok 42769 263: ok 42770 263: ok 42771 263: ok 42772 263: ok 42773 263: ok 42774 263: ok 42775 263: ok 42776 263: ok 42777 263: ok 42778 263: ok 42779 263: ok 42780 263: ok 42781 263: ok 42782 263: ok 42783 263: ok 42784 263: ok 42785 263: ok 42786 263: ok 42787 263: ok 42788 263: ok 42789 263: ok 42790 263: ok 42791 263: ok 42792 263: ok 42793 263: ok 42794 263: ok 42795 263: ok 42796 263: ok 42797 263: ok 42798 263: ok 42799 263: ok 42800 263: ok 42801 263: ok 42802 263: ok 42803 263: ok 42804 263: ok 42805 263: ok 42806 263: ok 42807 263: ok 42808 263: ok 42809 263: ok 42810 263: ok 42811 263: ok 42812 263: ok 42813 263: ok 42814 263: ok 42815 263: ok 42816 263: ok 42817 263: ok 42818 263: ok 42819 263: ok 42820 263: ok 42821 263: ok 42822 263: ok 42823 263: ok 42824 263: ok 42825 263: ok 42826 263: ok 42827 263: ok 42828 263: ok 42829 263: ok 42830 263: ok 42831 263: ok 42832 263: ok 42833 263: ok 42834 263: ok 42835 263: ok 42836 263: ok 42837 263: ok 42838 263: ok 42839 263: ok 42840 263: ok 42841 263: ok 42842 263: ok 42843 263: ok 42844 263: ok 42845 263: ok 42846 263: ok 42847 263: ok 42848 263: ok 42849 263: ok 42850 263: ok 42851 263: ok 42852 263: ok 42853 263: ok 42854 263: ok 42855 263: ok 42856 263: ok 42857 263: ok 42858 263: ok 42859 263: ok 42860 263: ok 42861 263: ok 42862 263: ok 42863 263: ok 42864 263: ok 42865 263: ok 42866 263: ok 42867 263: ok 42868 263: ok 42869 263: ok 42870 263: ok 42871 263: ok 42872 263: ok 42873 263: ok 42874 263: ok 42875 263: ok 42876 263: ok 42877 263: ok 42878 263: ok 42879 263: ok 42880 263: ok 42881 263: ok 42882 263: ok 42883 263: ok 42884 263: ok 42885 263: ok 42886 263: ok 42887 263: ok 42888 263: ok 42889 263: ok 42890 263: ok 42891 263: ok 42892 263: ok 42893 263: ok 42894 263: ok 42895 263: ok 42896 263: ok 42897 263: ok 42898 263: ok 42899 263: ok 42900 263: ok 42901 263: ok 42902 263: ok 42903 263: ok 42904 263: ok 42905 263: ok 42906 263: ok 42907 263: ok 42908 263: ok 42909 263: ok 42910 263: ok 42911 263: ok 42912 263: ok 42913 263: ok 42914 263: ok 42915 263: ok 42916 263: ok 42917 263: ok 42918 263: ok 42919 263: ok 42920 263: ok 42921 263: ok 42922 263: ok 42923 263: ok 42924 263: ok 42925 263: ok 42926 263: ok 42927 263: ok 42928 263: ok 42929 263: ok 42930 263: ok 42931 263: ok 42932 263: ok 42933 263: ok 42934 263: ok 42935 263: ok 42936 263: ok 42937 263: ok 42938 263: ok 42939 263: ok 42940 263: ok 42941 263: ok 42942 263: ok 42943 263: ok 42944 263: ok 42945 263: ok 42946 263: ok 42947 263: ok 42948 263: ok 42949 263: ok 42950 263: ok 42951 263: ok 42952 263: ok 42953 263: ok 42954 263: ok 42955 263: ok 42956 263: ok 42957 263: ok 42958 263: ok 42959 263: ok 42960 263: ok 42961 263: ok 42962 263: ok 42963 263: ok 42964 263: ok 42965 263: ok 42966 263: ok 42967 263: ok 42968 263: ok 42969 263: ok 42970 263: ok 42971 263: ok 42972 263: ok 42973 263: ok 42974 263: ok 42975 263: ok 42976 263: ok 42977 263: ok 42978 263: ok 42979 263: ok 42980 263: ok 42981 263: ok 42982 263: ok 42983 263: ok 42984 263: ok 42985 263: ok 42986 263: ok 42987 263: ok 42988 263: ok 42989 263: ok 42990 263: ok 42991 263: ok 42992 263: ok 42993 263: ok 42994 263: ok 42995 263: ok 42996 263: ok 42997 263: ok 42998 263: ok 42999 263: ok 43000 263: ok 43001 263: ok 43002 263: ok 43003 263: ok 43004 263: ok 43005 263: ok 43006 263: ok 43007 263: ok 43008 263: ok 43009 263: ok 43010 263: ok 43011 263: ok 43012 263: ok 43013 263: ok 43014 263: ok 43015 263: ok 43016 263: ok 43017 263: ok 43018 263: ok 43019 263: ok 43020 263: ok 43021 263: ok 43022 263: ok 43023 263: ok 43024 263: ok 43025 263: ok 43026 263: ok 43027 263: ok 43028 263: ok 43029 263: ok 43030 263: ok 43031 263: ok 43032 263: ok 43033 263: ok 43034 263: ok 43035 263: ok 43036 263: ok 43037 263: ok 43038 263: ok 43039 263: ok 43040 263: ok 43041 263: ok 43042 263: ok 43043 263: ok 43044 263: ok 43045 263: ok 43046 263: ok 43047 263: ok 43048 263: ok 43049 263: ok 43050 263: ok 43051 263: ok 43052 263: ok 43053 263: ok 43054 263: ok 43055 263: ok 43056 263: ok 43057 263: ok 43058 263: ok 43059 263: ok 43060 263: ok 43061 263: ok 43062 263: ok 43063 263: ok 43064 263: ok 43065 263: ok 43066 263: ok 43067 263: ok 43068 263: ok 43069 263: ok 43070 263: ok 43071 263: ok 43072 263: ok 43073 263: ok 43074 263: ok 43075 263: ok 43076 263: ok 43077 263: ok 43078 263: ok 43079 263: ok 43080 263: ok 43081 263: ok 43082 263: ok 43083 263: ok 43084 263: ok 43085 263: ok 43086 263: ok 43087 263: ok 43088 263: ok 43089 263: ok 43090 263: ok 43091 263: ok 43092 263: ok 43093 263: ok 43094 263: ok 43095 263: ok 43096 263: ok 43097 263: ok 43098 263: ok 43099 263: ok 43100 263: ok 43101 263: ok 43102 263: ok 43103 263: ok 43104 263: ok 43105 263: ok 43106 263: ok 43107 263: ok 43108 263: ok 43109 263: ok 43110 263: ok 43111 263: ok 43112 263: ok 43113 263: ok 43114 263: ok 43115 263: ok 43116 263: ok 43117 263: ok 43118 263: ok 43119 263: ok 43120 263: ok 43121 263: ok 43122 263: ok 43123 263: ok 43124 263: ok 43125 263: ok 43126 263: ok 43127 263: ok 43128 263: ok 43129 263: ok 43130 263: ok 43131 263: ok 43132 263: ok 43133 263: ok 43134 263: ok 43135 263: ok 43136 263: ok 43137 263: ok 43138 263: ok 43139 263: ok 43140 263: ok 43141 263: ok 43142 263: ok 43143 263: ok 43144 263: ok 43145 263: ok 43146 263: ok 43147 263: ok 43148 263: ok 43149 263: ok 43150 263: ok 43151 263: ok 43152 263: ok 43153 263: ok 43154 263: ok 43155 263: ok 43156 263: ok 43157 263: ok 43158 263: ok 43159 263: ok 43160 263: ok 43161 263: ok 43162 263: ok 43163 263: ok 43164 263: ok 43165 263: ok 43166 263: ok 43167 263: ok 43168 263: ok 43169 263: ok 43170 263: ok 43171 263: ok 43172 263: ok 43173 263: ok 43174 263: ok 43175 263: ok 43176 263: ok 43177 263: ok 43178 263: ok 43179 263: ok 43180 263: ok 43181 263: ok 43182 263: ok 43183 263: ok 43184 263: ok 43185 263: ok 43186 263: ok 43187 263: ok 43188 263: ok 43189 263: ok 43190 263: ok 43191 263: ok 43192 263: ok 43193 263: ok 43194 263: ok 43195 263: ok 43196 263: ok 43197 263: ok 43198 263: ok 43199 263: ok 43200 263: ok 43201 263: ok 43202 263: ok 43203 263: ok 43204 263: ok 43205 263: ok 43206 263: ok 43207 263: ok 43208 263: ok 43209 263: ok 43210 263: ok 43211 263: ok 43212 263: ok 43213 263: ok 43214 263: ok 43215 263: ok 43216 263: ok 43217 263: ok 43218 263: ok 43219 263: ok 43220 263: ok 43221 263: ok 43222 263: ok 43223 263: ok 43224 263: ok 43225 263: ok 43226 263: ok 43227 263: ok 43228 263: ok 43229 263: ok 43230 263: ok 43231 263: ok 43232 263: ok 43233 263: ok 43234 263: ok 43235 263: ok 43236 263: ok 43237 263: ok 43238 263: ok 43239 263: ok 43240 263: ok 43241 263: ok 43242 263: ok 43243 263: ok 43244 263: ok 43245 263: ok 43246 263: ok 43247 263: ok 43248 263: ok 43249 263: ok 43250 263: ok 43251 263: ok 43252 263: ok 43253 263: ok 43254 263: ok 43255 263: ok 43256 263: ok 43257 263: ok 43258 263: ok 43259 263: ok 43260 263: ok 43261 263: ok 43262 263: ok 43263 263: ok 43264 263: ok 43265 263: ok 43266 263: ok 43267 263: ok 43268 263: ok 43269 263: ok 43270 263: ok 43271 263: ok 43272 263: ok 43273 263: ok 43274 263: ok 43275 263: ok 43276 263: ok 43277 263: ok 43278 263: ok 43279 263: ok 43280 263: ok 43281 263: ok 43282 263: ok 43283 263: ok 43284 263: ok 43285 263: ok 43286 263: ok 43287 263: ok 43288 263: ok 43289 263: ok 43290 263: ok 43291 263: ok 43292 263: ok 43293 263: ok 43294 263: ok 43295 263: ok 43296 263: ok 43297 263: ok 43298 263: ok 43299 263: ok 43300 263: ok 43301 263: ok 43302 263: ok 43303 263: ok 43304 263: ok 43305 263: ok 43306 263: ok 43307 263: ok 43308 263: ok 43309 263: ok 43310 263: ok 43311 263: ok 43312 263: ok 43313 263: ok 43314 263: ok 43315 263: ok 43316 263: ok 43317 263: ok 43318 263: ok 43319 263: ok 43320 263: ok 43321 263: ok 43322 263: ok 43323 263: ok 43324 263: ok 43325 263: ok 43326 263: ok 43327 263: ok 43328 263: ok 43329 263: ok 43330 263: ok 43331 263: ok 43332 263: ok 43333 263: ok 43334 263: ok 43335 263: ok 43336 263: ok 43337 263: ok 43338 263: ok 43339 263: ok 43340 263: ok 43341 263: ok 43342 263: ok 43343 263: ok 43344 263: ok 43345 263: ok 43346 263: ok 43347 263: ok 43348 263: ok 43349 263: ok 43350 263: ok 43351 263: ok 43352 263: ok 43353 263: ok 43354 263: ok 43355 263: ok 43356 263: ok 43357 263: ok 43358 263: ok 43359 263: ok 43360 263: ok 43361 263: ok 43362 263: ok 43363 263: ok 43364 263: ok 43365 263: ok 43366 263: ok 43367 263: ok 43368 263: ok 43369 263: ok 43370 263: ok 43371 263: ok 43372 263: ok 43373 263: ok 43374 263: ok 43375 263: ok 43376 263: ok 43377 263: ok 43378 263: ok 43379 263: ok 43380 263: ok 43381 263: ok 43382 263: ok 43383 263: ok 43384 263: ok 43385 263: ok 43386 263: ok 43387 263: ok 43388 263: ok 43389 263: ok 43390 263: ok 43391 263: ok 43392 263: ok 43393 263: ok 43394 263: ok 43395 263: ok 43396 263: ok 43397 263: ok 43398 263: ok 43399 263: ok 43400 263: ok 43401 263: ok 43402 263: ok 43403 263: ok 43404 263: ok 43405 263: ok 43406 263: ok 43407 263: ok 43408 263: ok 43409 263: ok 43410 263: ok 43411 263: ok 43412 263: ok 43413 263: ok 43414 263: ok 43415 263: ok 43416 263: ok 43417 263: ok 43418 263: ok 43419 263: ok 43420 263: ok 43421 263: ok 43422 263: ok 43423 263: ok 43424 263: ok 43425 263: ok 43426 263: ok 43427 263: ok 43428 263: ok 43429 263: ok 43430 263: ok 43431 263: ok 43432 263: ok 43433 263: ok 43434 263: ok 43435 263: ok 43436 263: ok 43437 263: ok 43438 263: ok 43439 263: ok 43440 263: ok 43441 263: ok 43442 263: ok 43443 263: ok 43444 263: ok 43445 263: ok 43446 263: ok 43447 263: ok 43448 263: ok 43449 263: ok 43450 263: ok 43451 263: ok 43452 263: ok 43453 263: ok 43454 263: ok 43455 263: ok 43456 263: ok 43457 263: ok 43458 263: ok 43459 263: ok 43460 263: ok 43461 263: ok 43462 263: ok 43463 263: ok 43464 263: ok 43465 263: ok 43466 263: ok 43467 263: ok 43468 263: ok 43469 263: ok 43470 263: ok 43471 263: ok 43472 263: ok 43473 263: ok 43474 263: ok 43475 263: ok 43476 263: ok 43477 263: ok 43478 263: ok 43479 263: ok 43480 263: ok 43481 263: ok 43482 263: ok 43483 263: ok 43484 263: ok 43485 263: ok 43486 263: ok 43487 263: ok 43488 263: ok 43489 263: ok 43490 263: ok 43491 263: ok 43492 263: ok 43493 263: ok 43494 263: ok 43495 263: ok 43496 263: ok 43497 263: ok 43498 263: ok 43499 263: ok 43500 263: ok 43501 263: ok 43502 263: ok 43503 263: ok 43504 263: ok 43505 263: ok 43506 263: ok 43507 263: ok 43508 263: ok 43509 263: ok 43510 263: ok 43511 263: ok 43512 263: ok 43513 263: ok 43514 263: ok 43515 263: ok 43516 263: ok 43517 263: ok 43518 263: ok 43519 263: ok 43520 263: ok 43521 263: ok 43522 263: ok 43523 263: ok 43524 263: ok 43525 263: ok 43526 263: ok 43527 263: ok 43528 263: ok 43529 263: ok 43530 263: ok 43531 263: ok 43532 263: ok 43533 263: ok 43534 263: ok 43535 263: ok 43536 263: ok 43537 263: ok 43538 263: ok 43539 263: ok 43540 263: ok 43541 263: ok 43542 263: ok 43543 263: ok 43544 263: ok 43545 263: ok 43546 263: ok 43547 263: ok 43548 263: ok 43549 263: ok 43550 263: ok 43551 263: ok 43552 263: ok 43553 263: ok 43554 263: ok 43555 263: ok 43556 263: ok 43557 263: ok 43558 263: ok 43559 263: ok 43560 263: ok 43561 263: ok 43562 263: ok 43563 263: ok 43564 263: ok 43565 263: ok 43566 263: ok 43567 263: ok 43568 263: ok 43569 263: ok 43570 263: ok 43571 263: ok 43572 263: ok 43573 263: ok 43574 263: ok 43575 263: ok 43576 263: ok 43577 263: ok 43578 263: ok 43579 263: ok 43580 263: ok 43581 263: ok 43582 263: ok 43583 263: ok 43584 263: ok 43585 263: ok 43586 263: ok 43587 263: ok 43588 263: ok 43589 263: ok 43590 263: ok 43591 263: ok 43592 263: ok 43593 263: ok 43594 263: ok 43595 263: ok 43596 263: ok 43597 263: ok 43598 263: ok 43599 263: ok 43600 263: ok 43601 263: ok 43602 263: ok 43603 263: ok 43604 263: ok 43605 263: ok 43606 263: ok 43607 263: ok 43608 263: ok 43609 263: ok 43610 263: ok 43611 263: ok 43612 263: ok 43613 263: ok 43614 263: ok 43615 263: ok 43616 263: ok 43617 263: ok 43618 263: ok 43619 263: ok 43620 263: ok 43621 263: ok 43622 263: ok 43623 263: ok 43624 263: ok 43625 263: ok 43626 263: ok 43627 263: ok 43628 263: ok 43629 263: ok 43630 263: ok 43631 263: ok 43632 263: ok 43633 263: ok 43634 263: ok 43635 263: ok 43636 263: ok 43637 263: ok 43638 263: ok 43639 263: ok 43640 263: ok 43641 263: ok 43642 263: ok 43643 263: ok 43644 263: ok 43645 263: ok 43646 263: ok 43647 263: ok 43648 263: ok 43649 263: ok 43650 263: ok 43651 263: ok 43652 263: ok 43653 263: ok 43654 263: ok 43655 263: ok 43656 263: ok 43657 263: ok 43658 263: ok 43659 263: ok 43660 263: ok 43661 263: ok 43662 263: ok 43663 263: ok 43664 263: ok 43665 263: ok 43666 263: ok 43667 263: ok 43668 263: ok 43669 263: ok 43670 263: ok 43671 263: ok 43672 263: ok 43673 263: ok 43674 263: ok 43675 263: ok 43676 263: ok 43677 263: ok 43678 263: ok 43679 263: ok 43680 263: ok 43681 263: ok 43682 263: ok 43683 263: ok 43684 263: ok 43685 263: ok 43686 263: ok 43687 263: ok 43688 263: ok 43689 263: ok 43690 263: ok 43691 263: ok 43692 263: ok 43693 263: ok 43694 263: ok 43695 263: ok 43696 263: ok 43697 263: ok 43698 263: ok 43699 263: ok 43700 263: ok 43701 263: ok 43702 263: ok 43703 263: ok 43704 263: ok 43705 263: ok 43706 263: ok 43707 263: ok 43708 263: ok 43709 263: ok 43710 263: ok 43711 263: ok 43712 263: ok 43713 263: ok 43714 263: ok 43715 263: ok 43716 263: ok 43717 263: ok 43718 263: ok 43719 263: ok 43720 263: ok 43721 263: ok 43722 263: ok 43723 263: ok 43724 263: ok 43725 263: ok 43726 263: ok 43727 263: ok 43728 263: ok 43729 263: ok 43730 263: ok 43731 263: ok 43732 263: ok 43733 263: ok 43734 263: ok 43735 263: ok 43736 263: ok 43737 263: ok 43738 263: ok 43739 263: ok 43740 263: ok 43741 263: ok 43742 263: ok 43743 263: ok 43744 263: ok 43745 263: ok 43746 263: ok 43747 263: ok 43748 263: ok 43749 263: ok 43750 263: ok 43751 263: ok 43752 263: ok 43753 263: ok 43754 263: ok 43755 263: ok 43756 263: ok 43757 263: ok 43758 263: ok 43759 263: ok 43760 263: ok 43761 263: ok 43762 263: ok 43763 263: ok 43764 263: ok 43765 263: ok 43766 263: ok 43767 263: ok 43768 263: ok 43769 263: ok 43770 263: ok 43771 263: ok 43772 263: ok 43773 263: ok 43774 263: ok 43775 263: ok 43776 263: ok 43777 263: ok 43778 263: ok 43779 263: ok 43780 263: ok 43781 263: ok 43782 263: ok 43783 263: ok 43784 263: ok 43785 263: ok 43786 263: ok 43787 263: ok 43788 263: ok 43789 263: ok 43790 263: ok 43791 263: ok 43792 263: ok 43793 263: ok 43794 263: ok 43795 263: ok 43796 263: ok 43797 263: ok 43798 263: ok 43799 263: ok 43800 263: ok 43801 263: ok 43802 263: ok 43803 263: ok 43804 263: ok 43805 263: ok 43806 263: ok 43807 263: ok 43808 263: ok 43809 263: ok 43810 263: ok 43811 263: ok 43812 263: ok 43813 263: ok 43814 263: ok 43815 263: ok 43816 263: ok 43817 263: ok 43818 263: ok 43819 263: ok 43820 263: ok 43821 263: ok 43822 263: ok 43823 263: ok 43824 263: ok 43825 263: ok 43826 263: ok 43827 263: ok 43828 263: ok 43829 263: ok 43830 263: ok 43831 263: ok 43832 263: ok 43833 263: ok 43834 263: ok 43835 263: ok 43836 263: ok 43837 263: ok 43838 263: ok 43839 263: ok 43840 263: ok 43841 263: ok 43842 263: ok 43843 263: ok 43844 263: ok 43845 263: ok 43846 263: ok 43847 263: ok 43848 263: ok 43849 263: ok 43850 263: ok 43851 263: ok 43852 263: ok 43853 263: ok 43854 263: ok 43855 263: ok 43856 263: ok 43857 263: ok 43858 263: ok 43859 263: ok 43860 263: ok 43861 263: ok 43862 263: ok 43863 263: ok 43864 263: ok 43865 263: ok 43866 263: ok 43867 263: ok 43868 263: ok 43869 263: ok 43870 263: ok 43871 263: ok 43872 263: ok 43873 263: ok 43874 263: ok 43875 263: ok 43876 263: ok 43877 263: ok 43878 263: ok 43879 263: ok 43880 263: ok 43881 263: ok 43882 263: ok 43883 263: ok 43884 263: ok 43885 263: ok 43886 263: ok 43887 263: ok 43888 263: ok 43889 263: ok 43890 263: ok 43891 263: ok 43892 263: ok 43893 263: ok 43894 263: ok 43895 263: ok 43896 263: ok 43897 263: ok 43898 263: ok 43899 263: ok 43900 263: ok 43901 263: ok 43902 263: ok 43903 263: ok 43904 263: ok 43905 263: ok 43906 263: ok 43907 263: ok 43908 263: ok 43909 263: ok 43910 263: ok 43911 263: ok 43912 263: ok 43913 263: ok 43914 263: ok 43915 263: ok 43916 263: ok 43917 263: ok 43918 263: ok 43919 263: ok 43920 263: ok 43921 263: ok 43922 263: ok 43923 263: ok 43924 263: ok 43925 263: ok 43926 263: ok 43927 263: ok 43928 263: ok 43929 263: ok 43930 263: ok 43931 263: ok 43932 263: ok 43933 263: ok 43934 263: ok 43935 263: ok 43936 263: ok 43937 263: ok 43938 263: ok 43939 263: ok 43940 263: ok 43941 263: ok 43942 263: ok 43943 263: ok 43944 263: ok 43945 263: ok 43946 263: ok 43947 263: ok 43948 263: ok 43949 263: ok 43950 263: ok 43951 263: ok 43952 263: ok 43953 263: ok 43954 263: ok 43955 263: ok 43956 263: ok 43957 263: ok 43958 263: ok 43959 263: ok 43960 263: ok 43961 263: ok 43962 263: ok 43963 263: ok 43964 263: ok 43965 263: ok 43966 263: ok 43967 263: ok 43968 263: ok 43969 263: ok 43970 263: ok 43971 263: ok 43972 263: ok 43973 263: ok 43974 263: ok 43975 263: ok 43976 263: ok 43977 263: ok 43978 263: ok 43979 263: ok 43980 263: ok 43981 263: ok 43982 263: ok 43983 263: ok 43984 263: ok 43985 263: ok 43986 263: ok 43987 263: ok 43988 263: ok 43989 263: ok 43990 263: ok 43991 263: ok 43992 263: ok 43993 263: ok 43994 263: ok 43995 263: ok 43996 263: ok 43997 263: ok 43998 263: ok 43999 263: ok 44000 263: ok 44001 263: ok 44002 263: ok 44003 263: ok 44004 263: ok 44005 263: ok 44006 263: ok 44007 263: ok 44008 263: ok 44009 263: ok 44010 263: ok 44011 263: ok 44012 263: ok 44013 263: ok 44014 263: ok 44015 263: ok 44016 263: ok 44017 263: ok 44018 263: ok 44019 263: ok 44020 263: ok 44021 263: ok 44022 263: ok 44023 263: ok 44024 263: ok 44025 263: ok 44026 263: ok 44027 263: ok 44028 263: ok 44029 263: ok 44030 263: ok 44031 263: ok 44032 263: ok 44033 263: ok 44034 263: ok 44035 263: ok 44036 263: ok 44037 263: ok 44038 263: ok 44039 263: ok 44040 263: ok 44041 263: ok 44042 263: ok 44043 263: ok 44044 263: ok 44045 263: ok 44046 263: ok 44047 263: ok 44048 263: ok 44049 263: ok 44050 263: ok 44051 263: ok 44052 263: ok 44053 263: ok 44054 263: ok 44055 263: ok 44056 263: ok 44057 263: ok 44058 263: ok 44059 263: ok 44060 263: ok 44061 263: ok 44062 263: ok 44063 263: ok 44064 263: ok 44065 263: ok 44066 263: ok 44067 263: ok 44068 263: ok 44069 263: ok 44070 263: ok 44071 263: ok 44072 263: ok 44073 263: ok 44074 263: ok 44075 263: ok 44076 263: ok 44077 263: ok 44078 263: ok 44079 263: ok 44080 263: ok 44081 263: ok 44082 263: ok 44083 263: ok 44084 263: ok 44085 263: ok 44086 263: ok 44087 263: ok 44088 263: ok 44089 263: ok 44090 263: ok 44091 263: ok 44092 263: ok 44093 263: ok 44094 263: ok 44095 263: ok 44096 263: ok 44097 263: ok 44098 263: ok 44099 263: ok 44100 263: ok 44101 263: ok 44102 263: ok 44103 263: ok 44104 263: ok 44105 263: ok 44106 263: ok 44107 263: ok 44108 263: ok 44109 263: ok 44110 263: ok 44111 263: ok 44112 263: ok 44113 263: ok 44114 263: ok 44115 263: ok 44116 263: ok 44117 263: ok 44118 263: ok 44119 263: ok 44120 263: ok 44121 263: ok 44122 263: ok 44123 263: ok 44124 263: ok 44125 263: ok 44126 263: ok 44127 263: ok 44128 263: ok 44129 263: ok 44130 263: ok 44131 263: ok 44132 263: ok 44133 263: ok 44134 263: ok 44135 263: ok 44136 263: ok 44137 263: ok 44138 263: ok 44139 263: ok 44140 263: ok 44141 263: ok 44142 263: ok 44143 263: ok 44144 263: ok 44145 263: ok 44146 263: ok 44147 263: ok 44148 263: ok 44149 263: ok 44150 263: ok 44151 263: ok 44152 263: ok 44153 263: ok 44154 263: ok 44155 263: ok 44156 263: ok 44157 263: ok 44158 263: ok 44159 263: ok 44160 263: ok 44161 263: ok 44162 263: ok 44163 263: ok 44164 263: ok 44165 263: ok 44166 263: ok 44167 263: ok 44168 263: ok 44169 263: ok 44170 263: ok 44171 263: ok 44172 263: ok 44173 263: ok 44174 263: ok 44175 263: ok 44176 263: ok 44177 263: ok 44178 263: ok 44179 263: ok 44180 263: ok 44181 263: ok 44182 263: ok 44183 263: ok 44184 263: ok 44185 263: ok 44186 263: ok 44187 263: ok 44188 263: ok 44189 263: ok 44190 263: ok 44191 263: ok 44192 263: ok 44193 263: ok 44194 263: ok 44195 263: ok 44196 263: ok 44197 263: ok 44198 263: ok 44199 263: ok 44200 263: ok 44201 263: ok 44202 263: ok 44203 263: ok 44204 263: ok 44205 263: ok 44206 263: ok 44207 263: ok 44208 263: ok 44209 263: ok 44210 263: ok 44211 263: ok 44212 263: ok 44213 263: ok 44214 263: ok 44215 263: ok 44216 263: ok 44217 263: ok 44218 263: ok 44219 263: ok 44220 263: ok 44221 263: ok 44222 263: ok 44223 263: ok 44224 263: ok 44225 263: ok 44226 263: ok 44227 263: ok 44228 263: ok 44229 263: ok 44230 263: ok 44231 263: ok 44232 263: ok 44233 263: ok 44234 263: ok 44235 263: ok 44236 263: ok 44237 263: ok 44238 263: ok 44239 263: ok 44240 263: ok 44241 263: ok 44242 263: ok 44243 263: ok 44244 263: ok 44245 263: ok 44246 263: ok 44247 263: ok 44248 263: ok 44249 263: ok 44250 263: ok 44251 263: ok 44252 263: ok 44253 263: ok 44254 263: ok 44255 263: ok 44256 263: ok 44257 263: ok 44258 263: ok 44259 263: ok 44260 263: ok 44261 263: ok 44262 263: ok 44263 263: ok 44264 263: ok 44265 263: ok 44266 263: ok 44267 263: ok 44268 263: ok 44269 263: ok 44270 263: ok 44271 263: ok 44272 263: ok 44273 263: ok 44274 263: ok 44275 263: ok 44276 263: ok 44277 263: ok 44278 263: ok 44279 263: ok 44280 263: ok 44281 263: ok 44282 263: ok 44283 263: ok 44284 263: ok 44285 263: ok 44286 263: ok 44287 263: ok 44288 263: ok 44289 263: ok 44290 263: ok 44291 263: ok 44292 263: ok 44293 263: ok 44294 263: ok 44295 263: ok 44296 263: ok 44297 263: ok 44298 263: ok 44299 263: ok 44300 263: ok 44301 263: ok 44302 263: ok 44303 263: ok 44304 263: ok 44305 263: ok 44306 263: ok 44307 263: ok 44308 263: ok 44309 263: ok 44310 263: ok 44311 263: ok 44312 263: ok 44313 263: ok 44314 263: ok 44315 263: ok 44316 263: ok 44317 263: ok 44318 263: ok 44319 263: ok 44320 263: ok 44321 263: ok 44322 263: ok 44323 263: ok 44324 263: ok 44325 263: ok 44326 263: ok 44327 263: ok 44328 263: ok 44329 263: ok 44330 263: ok 44331 263: ok 44332 263: ok 44333 263: ok 44334 263: ok 44335 263: ok 44336 263: ok 44337 263: ok 44338 263: ok 44339 263: ok 44340 263: ok 44341 263: ok 44342 263: ok 44343 263: ok 44344 263: ok 44345 263: ok 44346 263: ok 44347 263: ok 44348 263: ok 44349 263: ok 44350 263: ok 44351 263: ok 44352 263: ok 44353 263: ok 44354 263: ok 44355 263: ok 44356 263: ok 44357 263: ok 44358 263: ok 44359 263: ok 44360 263: ok 44361 263: ok 44362 263: ok 44363 263: ok 44364 263: ok 44365 263: ok 44366 263: ok 44367 263: ok 44368 263: ok 44369 263: ok 44370 263: ok 44371 263: ok 44372 263: ok 44373 263: ok 44374 263: ok 44375 263: ok 44376 263: ok 44377 263: ok 44378 263: ok 44379 263: ok 44380 263: ok 44381 263: ok 44382 263: ok 44383 263: ok 44384 263: ok 44385 263: ok 44386 263: ok 44387 263: ok 44388 263: ok 44389 263: ok 44390 263: ok 44391 263: ok 44392 263: ok 44393 263: ok 44394 263: ok 44395 263: ok 44396 263: ok 44397 263: ok 44398 263: ok 44399 263: ok 44400 263: ok 44401 263: ok 44402 263: ok 44403 263: ok 44404 263: ok 44405 263: ok 44406 263: ok 44407 263: ok 44408 263: ok 44409 263: ok 44410 263: ok 44411 263: ok 44412 263: ok 44413 263: ok 44414 263: ok 44415 263: ok 44416 263: ok 44417 263: ok 44418 263: ok 44419 263: ok 44420 263: ok 44421 263: ok 44422 263: ok 44423 263: ok 44424 263: ok 44425 263: ok 44426 263: ok 44427 263: ok 44428 263: ok 44429 263: ok 44430 263: ok 44431 263: ok 44432 263: ok 44433 263: ok 44434 263: ok 44435 263: ok 44436 263: ok 44437 263: ok 44438 263: ok 44439 263: ok 44440 263: ok 44441 263: ok 44442 263: ok 44443 263: ok 44444 263: ok 44445 263: ok 44446 263: ok 44447 263: ok 44448 263: ok 44449 263: ok 44450 263: ok 44451 263: ok 44452 263: ok 44453 263: ok 44454 263: ok 44455 263: ok 44456 263: ok 44457 263: ok 44458 263: ok 44459 263: ok 44460 263: ok 44461 263: ok 44462 263: ok 44463 263: ok 44464 263: ok 44465 263: ok 44466 263: ok 44467 263: ok 44468 263: ok 44469 263: ok 44470 263: ok 44471 263: ok 44472 263: ok 44473 263: ok 44474 263: ok 44475 263: ok 44476 263: ok 44477 263: ok 44478 263: ok 44479 263: ok 44480 263: ok 44481 263: ok 44482 263: ok 44483 263: ok 44484 263: ok 44485 263: ok 44486 263: ok 44487 263: ok 44488 263: ok 44489 263: ok 44490 263: ok 44491 263: ok 44492 263: ok 44493 263: ok 44494 263: ok 44495 263: ok 44496 263: ok 44497 263: ok 44498 263: ok 44499 263: ok 44500 263: ok 44501 263: ok 44502 263: ok 44503 263: ok 44504 263: ok 44505 263: ok 44506 263: ok 44507 263: ok 44508 263: ok 44509 263: ok 44510 263: ok 44511 263: ok 44512 263: ok 44513 263: ok 44514 263: ok 44515 263: ok 44516 263: ok 44517 263: ok 44518 263: ok 44519 263: ok 44520 263: ok 44521 263: ok 44522 263: ok 44523 263: ok 44524 263: ok 44525 263: ok 44526 263: ok 44527 263: ok 44528 263: ok 44529 263: ok 44530 263: ok 44531 263: ok 44532 263: ok 44533 263: ok 44534 263: ok 44535 263: ok 44536 263: ok 44537 263: ok 44538 263: ok 44539 263: ok 44540 263: ok 44541 263: ok 44542 263: ok 44543 263: ok 44544 263: ok 44545 263: ok 44546 263: ok 44547 263: ok 44548 263: ok 44549 263: ok 44550 263: ok 44551 263: ok 44552 263: ok 44553 263: ok 44554 263: ok 44555 263: ok 44556 263: ok 44557 263: ok 44558 263: ok 44559 263: ok 44560 263: ok 44561 263: ok 44562 263: ok 44563 263: ok 44564 263: ok 44565 263: ok 44566 263: ok 44567 263: ok 44568 263: ok 44569 263: ok 44570 263: ok 44571 263: ok 44572 263: ok 44573 263: ok 44574 263: ok 44575 263: ok 44576 263: ok 44577 263: ok 44578 263: ok 44579 263: ok 44580 263: ok 44581 263: ok 44582 263: ok 44583 263: ok 44584 263: ok 44585 263: ok 44586 263: ok 44587 263: ok 44588 263: ok 44589 263: ok 44590 263: ok 44591 263: ok 44592 263: ok 44593 263: ok 44594 263: ok 44595 263: ok 44596 263: ok 44597 263: ok 44598 263: ok 44599 263: ok 44600 263: ok 44601 263: ok 44602 263: ok 44603 263: ok 44604 263: ok 44605 263: ok 44606 263: ok 44607 263: ok 44608 263: ok 44609 263: ok 44610 263: ok 44611 263: ok 44612 263: ok 44613 263: ok 44614 263: ok 44615 263: ok 44616 263: ok 44617 263: ok 44618 263: ok 44619 263: ok 44620 263: ok 44621 263: ok 44622 263: ok 44623 263: ok 44624 263: ok 44625 263: ok 44626 263: ok 44627 263: ok 44628 263: ok 44629 263: ok 44630 263: ok 44631 263: ok 44632 263: ok 44633 263: ok 44634 263: ok 44635 263: ok 44636 263: ok 44637 263: ok 44638 263: ok 44639 263: ok 44640 263: ok 44641 263: ok 44642 263: ok 44643 263: ok 44644 263: ok 44645 263: ok 44646 263: ok 44647 263: ok 44648 263: ok 44649 263: ok 44650 263: ok 44651 263: ok 44652 263: ok 44653 263: ok 44654 263: ok 44655 263: ok 44656 263: ok 44657 263: ok 44658 263: ok 44659 263: ok 44660 263: ok 44661 263: ok 44662 263: ok 44663 263: ok 44664 263: ok 44665 263: ok 44666 263: ok 44667 263: ok 44668 263: ok 44669 263: ok 44670 263: ok 44671 263: ok 44672 263: ok 44673 263: ok 44674 263: ok 44675 263: ok 44676 263: ok 44677 263: ok 44678 263: ok 44679 263: ok 44680 263: ok 44681 263: ok 44682 263: ok 44683 263: ok 44684 263: ok 44685 263: ok 44686 263: ok 44687 263: ok 44688 263: ok 44689 263: ok 44690 263: ok 44691 263: ok 44692 263: ok 44693 263: ok 44694 263: ok 44695 263: ok 44696 263: ok 44697 263: ok 44698 263: ok 44699 263: ok 44700 263: ok 44701 263: ok 44702 263: ok 44703 263: ok 44704 263: ok 44705 263: ok 44706 263: ok 44707 263: ok 44708 263: ok 44709 263: ok 44710 263: ok 44711 263: ok 44712 263: ok 44713 263: ok 44714 263: ok 44715 263: ok 44716 263: ok 44717 263: ok 44718 263: ok 44719 263: ok 44720 263: ok 44721 263: ok 44722 263: ok 44723 263: ok 44724 263: ok 44725 263: ok 44726 263: ok 44727 263: ok 44728 263: ok 44729 263: ok 44730 263: ok 44731 263: ok 44732 263: ok 44733 263: ok 44734 263: ok 44735 263: ok 44736 263: ok 44737 263: ok 44738 263: ok 44739 263: ok 44740 263: ok 44741 263: ok 44742 263: ok 44743 263: ok 44744 263: ok 44745 263: ok 44746 263: ok 44747 263: ok 44748 263: ok 44749 263: ok 44750 263: ok 44751 263: ok 44752 263: ok 44753 263: ok 44754 263: ok 44755 263: ok 44756 263: ok 44757 263: ok 44758 263: ok 44759 263: ok 44760 263: ok 44761 263: ok 44762 263: ok 44763 263: ok 44764 263: ok 44765 263: ok 44766 263: ok 44767 263: ok 44768 263: ok 44769 263: ok 44770 263: ok 44771 263: ok 44772 263: ok 44773 263: ok 44774 263: ok 44775 263: ok 44776 263: ok 44777 263: ok 44778 263: ok 44779 263: ok 44780 263: ok 44781 263: ok 44782 263: ok 44783 263: ok 44784 263: ok 44785 263: ok 44786 263: ok 44787 263: ok 44788 263: ok 44789 263: ok 44790 263: ok 44791 263: ok 44792 263: ok 44793 263: ok 44794 263: ok 44795 263: ok 44796 263: ok 44797 263: ok 44798 263: ok 44799 263: ok 44800 263: ok 44801 263: ok 44802 263: ok 44803 263: ok 44804 263: ok 44805 263: ok 44806 263: ok 44807 263: ok 44808 263: ok 44809 263: ok 44810 263: ok 44811 263: ok 44812 263: ok 44813 263: ok 44814 263: ok 44815 263: ok 44816 263: ok 44817 263: ok 44818 263: ok 44819 263: ok 44820 263: ok 44821 263: ok 44822 263: ok 44823 263: ok 44824 263: ok 44825 263: ok 44826 263: ok 44827 263: ok 44828 263: ok 44829 263: ok 44830 263: ok 44831 263: ok 44832 263: ok 44833 263: ok 44834 263: ok 44835 263: ok 44836 263: ok 44837 263: ok 44838 263: ok 44839 263: ok 44840 263: ok 44841 263: ok 44842 263: ok 44843 263: ok 44844 263: ok 44845 263: ok 44846 263: ok 44847 263: ok 44848 263: ok 44849 263: ok 44850 263: ok 44851 263: ok 44852 263: ok 44853 263: ok 44854 263: ok 44855 263: ok 44856 263: ok 44857 263: ok 44858 263: ok 44859 263: ok 44860 263: ok 44861 263: ok 44862 263: ok 44863 263: ok 44864 263: ok 44865 263: ok 44866 263: ok 44867 263: ok 44868 263: ok 44869 263: ok 44870 263: ok 44871 263: ok 44872 263: ok 44873 263: ok 44874 263: ok 44875 263: ok 44876 263: ok 44877 263: ok 44878 263: ok 44879 263: ok 44880 263: ok 44881 263: ok 44882 263: ok 44883 263: ok 44884 263: ok 44885 263: ok 44886 263: ok 44887 263: ok 44888 263: ok 44889 263: ok 44890 263: ok 44891 263: ok 44892 263: ok 44893 263: ok 44894 263: ok 44895 263: ok 44896 263: ok 44897 263: ok 44898 263: ok 44899 263: ok 44900 263: ok 44901 263: ok 44902 263: ok 44903 263: ok 44904 263: ok 44905 263: ok 44906 263: ok 44907 263: ok 44908 263: ok 44909 263: ok 44910 263: ok 44911 263: ok 44912 263: ok 44913 263: ok 44914 263: ok 44915 263: ok 44916 263: ok 44917 263: ok 44918 263: ok 44919 263: ok 44920 263: ok 44921 263: ok 44922 263: ok 44923 263: ok 44924 263: ok 44925 263: ok 44926 263: ok 44927 263: ok 44928 263: ok 44929 263: ok 44930 263: ok 44931 263: ok 44932 263: ok 44933 263: ok 44934 263: ok 44935 263: ok 44936 263: ok 44937 263: ok 44938 263: ok 44939 263: ok 44940 263: ok 44941 263: ok 44942 263: ok 44943 263: ok 44944 263: ok 44945 263: ok 44946 263: ok 44947 263: ok 44948 263: ok 44949 263: ok 44950 263: ok 44951 263: ok 44952 263: ok 44953 263: ok 44954 263: ok 44955 263: ok 44956 263: ok 44957 263: ok 44958 263: ok 44959 263: ok 44960 263: ok 44961 263: ok 44962 263: ok 44963 263: ok 44964 263: ok 44965 263: ok 44966 263: ok 44967 263: ok 44968 263: ok 44969 263: ok 44970 263: ok 44971 263: ok 44972 263: ok 44973 263: ok 44974 263: ok 44975 263: ok 44976 263: ok 44977 263: ok 44978 263: ok 44979 263: ok 44980 263: ok 44981 263: ok 44982 263: ok 44983 263: ok 44984 263: ok 44985 263: ok 44986 263: ok 44987 263: ok 44988 263: ok 44989 263: ok 44990 263: ok 44991 263: ok 44992 263: ok 44993 263: ok 44994 263: ok 44995 263: ok 44996 263: ok 44997 263: ok 44998 263: ok 44999 263: ok 45000 263: ok 45001 263: ok 45002 263: ok 45003 263: ok 45004 263: ok 45005 263: ok 45006 263: ok 45007 263: ok 45008 263: ok 45009 263: ok 45010 263: ok 45011 263: ok 45012 263: ok 45013 263: ok 45014 263: ok 45015 263: ok 45016 263: ok 45017 263: ok 45018 263: ok 45019 263: ok 45020 263: ok 45021 263: ok 45022 263: ok 45023 263: ok 45024 263: ok 45025 263: ok 45026 263: ok 45027 263: ok 45028 263: ok 45029 263: ok 45030 263: ok 45031 263: ok 45032 263: ok 45033 263: ok 45034 263: ok 45035 263: ok 45036 263: ok 45037 263: ok 45038 263: ok 45039 263: ok 45040 263: ok 45041 263: ok 45042 263: ok 45043 263: ok 45044 263: ok 45045 263: ok 45046 263: ok 45047 263: ok 45048 263: ok 45049 263: ok 45050 263: ok 45051 263: ok 45052 263: ok 45053 263: ok 45054 263: ok 45055 263: ok 45056 263: ok 45057 263: ok 45058 263: ok 45059 263: ok 45060 263: ok 45061 263: ok 45062 263: ok 45063 263: ok 45064 263: ok 45065 263: ok 45066 263: ok 45067 263: ok 45068 263: ok 45069 263: ok 45070 263: ok 45071 263: ok 45072 263: ok 45073 263: ok 45074 263: ok 45075 263: ok 45076 263: ok 45077 263: ok 45078 263: ok 45079 263: ok 45080 263: ok 45081 263: ok 45082 263: ok 45083 263: ok 45084 263: ok 45085 263: ok 45086 263: ok 45087 263: ok 45088 263: ok 45089 263: ok 45090 263: ok 45091 263: ok 45092 263: ok 45093 263: ok 45094 263: ok 45095 263: ok 45096 263: ok 45097 263: ok 45098 263: ok 45099 263: ok 45100 263: ok 45101 263: ok 45102 263: ok 45103 263: ok 45104 263: ok 45105 263: ok 45106 263: ok 45107 263: ok 45108 263: ok 45109 263: ok 45110 263: ok 45111 263: ok 45112 263: ok 45113 263: ok 45114 263: ok 45115 263: ok 45116 263: ok 45117 263: ok 45118 263: ok 45119 263: ok 45120 263: ok 45121 263: ok 45122 263: ok 45123 263: ok 45124 263: ok 45125 263: ok 45126 263: ok 45127 263: ok 45128 263: ok 45129 263: ok 45130 263: ok 45131 263: ok 45132 263: ok 45133 263: ok 45134 263: ok 45135 263: ok 45136 263: ok 45137 263: ok 45138 263: ok 45139 263: ok 45140 263: ok 45141 263: ok 45142 263: ok 45143 263: ok 45144 263: ok 45145 263: ok 45146 263: ok 45147 263: ok 45148 263: ok 45149 263: ok 45150 263: ok 45151 263: ok 45152 263: ok 45153 263: ok 45154 263: ok 45155 263: ok 45156 263: ok 45157 263: ok 45158 263: ok 45159 263: ok 45160 263: ok 45161 263: ok 45162 263: ok 45163 263: ok 45164 263: ok 45165 263: ok 45166 263: ok 45167 263: ok 45168 263: ok 45169 263: ok 45170 263: ok 45171 263: ok 45172 263: ok 45173 263: ok 45174 263: ok 45175 263: ok 45176 263: ok 45177 263: ok 45178 263: ok 45179 263: ok 45180 263: ok 45181 263: ok 45182 263: ok 45183 263: ok 45184 263: ok 45185 263: ok 45186 263: ok 45187 263: ok 45188 263: ok 45189 263: ok 45190 263: ok 45191 263: ok 45192 263: ok 45193 263: ok 45194 263: ok 45195 263: ok 45196 263: ok 45197 263: ok 45198 263: ok 45199 263: ok 45200 263: ok 45201 263: ok 45202 263: ok 45203 263: ok 45204 263: ok 45205 263: ok 45206 263: ok 45207 263: ok 45208 263: ok 45209 263: ok 45210 263: ok 45211 263: ok 45212 263: ok 45213 263: ok 45214 263: ok 45215 263: ok 45216 263: ok 45217 263: ok 45218 263: ok 45219 263: ok 45220 263: ok 45221 263: ok 45222 263: ok 45223 263: ok 45224 263: ok 45225 263: ok 45226 263: ok 45227 263: ok 45228 263: ok 45229 263: ok 45230 263: ok 45231 263: ok 45232 263: ok 45233 263: ok 45234 263: ok 45235 263: ok 45236 263: ok 45237 263: ok 45238 263: ok 45239 263: ok 45240 263: ok 45241 263: ok 45242 263: ok 45243 263: ok 45244 263: ok 45245 263: ok 45246 263: ok 45247 263: ok 45248 263: ok 45249 263: ok 45250 263: ok 45251 263: ok 45252 263: ok 45253 263: ok 45254 263: ok 45255 263: ok 45256 263: ok 45257 263: ok 45258 263: ok 45259 263: ok 45260 263: ok 45261 263: ok 45262 263: ok 45263 263: ok 45264 263: ok 45265 263: ok 45266 263: ok 45267 263: ok 45268 263: ok 45269 263: ok 45270 263: ok 45271 263: ok 45272 263: ok 45273 263: ok 45274 263: ok 45275 263: ok 45276 263: ok 45277 263: ok 45278 263: ok 45279 263: ok 45280 263: ok 45281 263: ok 45282 263: ok 45283 263: ok 45284 263: ok 45285 263: ok 45286 263: ok 45287 263: ok 45288 263: ok 45289 263: ok 45290 263: ok 45291 263: ok 45292 263: ok 45293 263: ok 45294 263: ok 45295 263: ok 45296 263: ok 45297 263: ok 45298 263: ok 45299 263: ok 45300 263: ok 45301 263: ok 45302 263: ok 45303 263: ok 45304 263: ok 45305 263: ok 45306 263: ok 45307 263: ok 45308 263: ok 45309 263: ok 45310 263: ok 45311 263: ok 45312 263: ok 45313 263: ok 45314 263: ok 45315 263: ok 45316 263: ok 45317 263: ok 45318 263: ok 45319 263: ok 45320 263: ok 45321 263: ok 45322 263: ok 45323 263: ok 45324 263: ok 45325 263: ok 45326 263: ok 45327 263: ok 45328 263: ok 45329 263: ok 45330 263: ok 45331 263: ok 45332 263: ok 45333 263: ok 45334 263: ok 45335 263: ok 45336 263: ok 45337 263: ok 45338 263: ok 45339 263: ok 45340 263: ok 45341 263: ok 45342 263: ok 45343 263: ok 45344 263: ok 45345 263: ok 45346 263: ok 45347 263: ok 45348 263: ok 45349 263: ok 45350 263: ok 45351 263: ok 45352 263: ok 45353 263: ok 45354 263: ok 45355 263: ok 45356 263: ok 45357 263: ok 45358 263: ok 45359 263: ok 45360 263: ok 45361 263: ok 45362 263: ok 45363 263: ok 45364 263: ok 45365 263: ok 45366 263: ok 45367 263: ok 45368 263: ok 45369 263: ok 45370 263: ok 45371 263: ok 45372 263: ok 45373 263: ok 45374 263: ok 45375 263: ok 45376 263: ok 45377 263: ok 45378 263: ok 45379 263: ok 45380 263: ok 45381 263: ok 45382 263: ok 45383 263: ok 45384 263: ok 45385 263: ok 45386 263: ok 45387 263: ok 45388 263: ok 45389 263: ok 45390 263: ok 45391 263: ok 45392 263: ok 45393 263: ok 45394 263: ok 45395 263: ok 45396 263: ok 45397 263: ok 45398 263: ok 45399 263: ok 45400 263: ok 45401 263: ok 45402 263: ok 45403 263: ok 45404 263: ok 45405 263: ok 45406 263: ok 45407 263: ok 45408 263: ok 45409 263: ok 45410 263: ok 45411 263: ok 45412 263: ok 45413 263: ok 45414 263: ok 45415 263: ok 45416 263: ok 45417 263: ok 45418 263: ok 45419 263: ok 45420 263: ok 45421 263: ok 45422 263: ok 45423 263: ok 45424 263: ok 45425 263: ok 45426 263: ok 45427 263: ok 45428 263: ok 45429 263: ok 45430 263: ok 45431 263: ok 45432 263: ok 45433 263: ok 45434 263: ok 45435 263: ok 45436 263: ok 45437 263: ok 45438 263: ok 45439 263: ok 45440 263: ok 45441 263: ok 45442 263: ok 45443 263: ok 45444 263: ok 45445 263: ok 45446 263: ok 45447 263: ok 45448 263: ok 45449 263: ok 45450 263: ok 45451 263: ok 45452 263: ok 45453 263: ok 45454 263: ok 45455 263: ok 45456 263: ok 45457 263: ok 45458 263: ok 45459 263: ok 45460 263: ok 45461 263: ok 45462 263: ok 45463 263: ok 45464 263: ok 45465 263: ok 45466 263: ok 45467 263: ok 45468 263: ok 45469 263: ok 45470 263: ok 45471 263: ok 45472 263: ok 45473 263: ok 45474 263: ok 45475 263: ok 45476 263: ok 45477 263: ok 45478 263: ok 45479 263: ok 45480 263: ok 45481 263: ok 45482 263: ok 45483 263: ok 45484 263: ok 45485 263: ok 45486 263: ok 45487 263: ok 45488 263: ok 45489 263: ok 45490 263: ok 45491 263: ok 45492 263: ok 45493 263: ok 45494 263: ok 45495 263: ok 45496 263: ok 45497 263: ok 45498 263: ok 45499 263: ok 45500 263: ok 45501 263: ok 45502 263: ok 45503 263: ok 45504 263: ok 45505 263: ok 45506 263: ok 45507 263: ok 45508 263: ok 45509 263: ok 45510 263: ok 45511 263: ok 45512 263: ok 45513 263: ok 45514 263: ok 45515 263: ok 45516 263: ok 45517 263: ok 45518 263: ok 45519 263: ok 45520 263: ok 45521 263: ok 45522 263: ok 45523 263: ok 45524 263: ok 45525 263: ok 45526 263: ok 45527 263: ok 45528 263: ok 45529 263: ok 45530 263: ok 45531 263: ok 45532 263: ok 45533 263: ok 45534 263: ok 45535 263: ok 45536 263: ok 45537 263: ok 45538 263: ok 45539 263: ok 45540 263: ok 45541 263: ok 45542 263: ok 45543 263: ok 45544 263: ok 45545 263: ok 45546 263: ok 45547 263: ok 45548 263: ok 45549 263: ok 45550 263: ok 45551 263: ok 45552 263: ok 45553 263: ok 45554 263: ok 45555 263: ok 45556 263: ok 45557 263: ok 45558 263: ok 45559 263: ok 45560 263: ok 45561 263: ok 45562 263: ok 45563 263: ok 45564 263: ok 45565 263: ok 45566 263: ok 45567 263: ok 45568 263: ok 45569 263: ok 45570 263: ok 45571 263: ok 45572 263: ok 45573 263: ok 45574 263: ok 45575 263: ok 45576 263: ok 45577 263: ok 45578 263: ok 45579 263: ok 45580 263: ok 45581 263: ok 45582 263: ok 45583 263: ok 45584 263: ok 45585 263: ok 45586 263: ok 45587 263: ok 45588 263: ok 45589 263: ok 45590 263: ok 45591 263: ok 45592 263: ok 45593 263: ok 45594 263: ok 45595 263: ok 45596 263: ok 45597 263: ok 45598 263: ok 45599 263: ok 45600 263: ok 45601 263: ok 45602 263: ok 45603 263: ok 45604 263: ok 45605 263: ok 45606 263: ok 45607 263: ok 45608 263: ok 45609 263: ok 45610 263: ok 45611 263: ok 45612 263: ok 45613 263: ok 45614 263: ok 45615 263: ok 45616 263: ok 45617 263: ok 45618 263: ok 45619 263: ok 45620 263: ok 45621 263: ok 45622 263: ok 45623 263: ok 45624 263: ok 45625 263: ok 45626 263: ok 45627 263: ok 45628 263: ok 45629 263: ok 45630 263: ok 45631 263: ok 45632 263: ok 45633 263: ok 45634 263: ok 45635 263: ok 45636 263: ok 45637 263: ok 45638 263: ok 45639 263: ok 45640 263: ok 45641 263: ok 45642 263: ok 45643 263: ok 45644 263: ok 45645 263: ok 45646 263: ok 45647 263: ok 45648 263: ok 45649 263: ok 45650 263: ok 45651 263: ok 45652 263: ok 45653 263: ok 45654 263: ok 45655 263: ok 45656 263: ok 45657 263: ok 45658 263: ok 45659 263: ok 45660 263: ok 45661 263: ok 45662 263: ok 45663 263: ok 45664 263: ok 45665 263: ok 45666 263: ok 45667 263: ok 45668 263: ok 45669 263: ok 45670 263: ok 45671 263: ok 45672 263: ok 45673 263: ok 45674 263: ok 45675 263: ok 45676 263: ok 45677 263: ok 45678 263: ok 45679 263: ok 45680 263: ok 45681 263: ok 45682 263: ok 45683 263: ok 45684 263: ok 45685 263: ok 45686 263: ok 45687 263: ok 45688 263: ok 45689 263: ok 45690 263: ok 45691 263: ok 45692 263: ok 45693 263: ok 45694 263: ok 45695 263: ok 45696 263: ok 45697 263: ok 45698 263: ok 45699 263: ok 45700 263: ok 45701 263: ok 45702 263: ok 45703 263: ok 45704 263: ok 45705 263: ok 45706 263: ok 45707 263: ok 45708 263: ok 45709 263: ok 45710 263: ok 45711 263: ok 45712 263: ok 45713 263: ok 45714 263: ok 45715 263: ok 45716 263: ok 45717 263: ok 45718 263: ok 45719 263: ok 45720 263: ok 45721 263: ok 45722 263: ok 45723 263: ok 45724 263: ok 45725 263: ok 45726 263: ok 45727 263: ok 45728 263: ok 45729 263: ok 45730 263: ok 45731 263: ok 45732 263: ok 45733 263: ok 45734 263: ok 45735 263: ok 45736 263: ok 45737 263: ok 45738 263: ok 45739 263: ok 45740 263: ok 45741 263: ok 45742 263: ok 45743 263: ok 45744 263: ok 45745 263: ok 45746 263: ok 45747 263: ok 45748 263: ok 45749 263: ok 45750 263: ok 45751 263: ok 45752 263: ok 45753 263: ok 45754 263: ok 45755 263: ok 45756 263: ok 45757 263: ok 45758 263: ok 45759 263: ok 45760 263: ok 45761 263: ok 45762 263: ok 45763 263: ok 45764 263: ok 45765 263: ok 45766 263: ok 45767 263: ok 45768 263: ok 45769 263: ok 45770 263: ok 45771 263: ok 45772 263: ok 45773 263: ok 45774 263: ok 45775 263: ok 45776 263: ok 45777 263: ok 45778 263: ok 45779 263: ok 45780 263: ok 45781 263: ok 45782 263: ok 45783 263: ok 45784 263: ok 45785 263: ok 45786 263: ok 45787 263: ok 45788 263: ok 45789 263: ok 45790 263: ok 45791 263: ok 45792 263: ok 45793 263: ok 45794 263: ok 45795 263: ok 45796 263: ok 45797 263: ok 45798 263: ok 45799 263: ok 45800 263: ok 45801 263: ok 45802 263: ok 45803 263: ok 45804 263: ok 45805 263: ok 45806 263: ok 45807 263: ok 45808 263: ok 45809 263: ok 45810 263: ok 45811 263: ok 45812 263: ok 45813 263: ok 45814 263: ok 45815 263: ok 45816 263: ok 45817 263: ok 45818 263: ok 45819 263: ok 45820 263: ok 45821 263: ok 45822 263: ok 45823 263: ok 45824 263: ok 45825 263: ok 45826 263: ok 45827 263: ok 45828 263: ok 45829 263: ok 45830 263: ok 45831 263: ok 45832 263: ok 45833 263: ok 45834 263: ok 45835 263: ok 45836 263: ok 45837 263: ok 45838 263: ok 45839 263: ok 45840 263: ok 45841 263: ok 45842 263: ok 45843 263: ok 45844 263: ok 45845 263: ok 45846 263: ok 45847 263: ok 45848 263: ok 45849 263: ok 45850 263: ok 45851 263: ok 45852 263: ok 45853 263: ok 45854 263: ok 45855 263: ok 45856 263: ok 45857 263: ok 45858 263: ok 45859 263: ok 45860 263: ok 45861 263: ok 45862 263: ok 45863 263: ok 45864 263: ok 45865 263: ok 45866 263: ok 45867 263: ok 45868 263: ok 45869 263: ok 45870 263: ok 45871 263: ok 45872 263: ok 45873 263: ok 45874 263: ok 45875 263: ok 45876 263: ok 45877 263: ok 45878 263: ok 45879 263: ok 45880 263: ok 45881 263: ok 45882 263: ok 45883 263: ok 45884 263: ok 45885 263: ok 45886 263: ok 45887 263: ok 45888 263: ok 45889 263: ok 45890 263: ok 45891 263: ok 45892 263: ok 45893 263: ok 45894 263: ok 45895 263: ok 45896 263: ok 45897 263: ok 45898 263: ok 45899 263: ok 45900 263: ok 45901 263: ok 45902 263: ok 45903 263: ok 45904 263: ok 45905 263: ok 45906 263: ok 45907 263: ok 45908 263: ok 45909 263: ok 45910 263: ok 45911 263: ok 45912 263: ok 45913 263: ok 45914 263: ok 45915 263: ok 45916 263: ok 45917 263: ok 45918 263: ok 45919 263: ok 45920 263: ok 45921 263: ok 45922 263: ok 45923 263: ok 45924 263: ok 45925 263: ok 45926 263: ok 45927 263: ok 45928 263: ok 45929 263: ok 45930 263: ok 45931 263: ok 45932 263: ok 45933 263: ok 45934 263: ok 45935 263: ok 45936 263: ok 45937 263: ok 45938 263: ok 45939 263: ok 45940 263: ok 45941 263: ok 45942 263: ok 45943 263: ok 45944 263: ok 45945 263: ok 45946 263: ok 45947 263: ok 45948 263: ok 45949 263: ok 45950 263: ok 45951 263: ok 45952 263: ok 45953 263: ok 45954 263: ok 45955 263: ok 45956 263: ok 45957 263: ok 45958 263: ok 45959 263: ok 45960 263: ok 45961 263: ok 45962 263: ok 45963 263: ok 45964 263: ok 45965 263: ok 45966 263: ok 45967 263: ok 45968 263: ok 45969 263: ok 45970 263: ok 45971 263: ok 45972 263: ok 45973 263: ok 45974 263: ok 45975 263: ok 45976 263: ok 45977 263: ok 45978 263: ok 45979 263: ok 45980 263: ok 45981 263: ok 45982 263: ok 45983 263: ok 45984 263: ok 45985 263: ok 45986 263: ok 45987 263: ok 45988 263: ok 45989 263: ok 45990 263: ok 45991 263: ok 45992 263: ok 45993 263: ok 45994 263: ok 45995 263: ok 45996 263: ok 45997 263: ok 45998 263: ok 45999 263: ok 46000 263: # math: passed testBasics_matrix3x3 263: 1..46000 263: # math: all tests are successful 258/333 Test #263: origtest_math_1 ..................................................................................... Passed 0.54 sec test 264 Start 264: origtest_math_2 264: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "math" "2" 264: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 264: Environment variables: 264: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 264: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 264: Test timeout computed to be: 1500 264: # math: repeating each test 1000 times 264: # Testing MMFF94 Force Field... 264: # math: entering testArithmeticOperators 264: ok 1 264: ok 2 264: ok 3 264: ok 4 264: ok 5 264: ok 6 264: ok 7 264: ok 8 264: ok 9 264: ok 10 264: ok 11 264: ok 12 264: ok 13 264: ok 14 264: ok 15 264: ok 16 264: ok 17 264: ok 18 264: ok 19 264: ok 20 264: ok 21 264: ok 22 264: ok 23 264: ok 24 264: ok 25 264: ok 26 264: ok 27 264: ok 28 264: ok 29 264: ok 30 264: ok 31 264: ok 32 264: ok 33 264: ok 34 264: ok 35 264: ok 36 264: ok 37 264: ok 38 264: ok 39 264: ok 40 264: ok 41 264: ok 42 264: ok 43 264: ok 44 264: ok 45 264: ok 46 264: ok 47 264: ok 48 264: ok 49 264: ok 50 264: ok 51 264: ok 52 264: ok 53 264: ok 54 264: ok 55 264: ok 56 264: ok 57 264: ok 58 264: ok 59 264: ok 60 264: ok 61 264: ok 62 264: ok 63 264: ok 64 264: ok 65 264: ok 66 264: ok 67 264: ok 68 264: ok 69 264: ok 70 264: ok 71 264: ok 72 264: ok 73 264: ok 74 264: ok 75 264: ok 76 264: ok 77 264: ok 78 264: ok 79 264: ok 80 264: ok 81 264: ok 82 264: ok 83 264: ok 84 264: ok 85 264: ok 86 264: ok 87 264: ok 88 264: ok 89 264: ok 90 264: ok 91 264: ok 92 264: ok 93 264: ok 94 264: ok 95 264: ok 96 264: ok 97 264: ok 98 264: ok 99 264: ok 100 264: ok 101 264: ok 102 264: ok 103 264: ok 104 264: ok 105 264: ok 106 264: ok 107 264: ok 108 264: ok 109 264: ok 110 264: ok 111 264: ok 112 264: ok 113 264: ok 114 264: ok 115 264: ok 116 264: ok 117 264: ok 118 264: ok 119 264: ok 120 264: ok 121 264: ok 122 264: ok 123 264: ok 124 264: ok 125 264: ok 126 264: ok 127 264: ok 128 264: ok 129 264: ok 130 264: ok 131 264: ok 132 264: ok 133 264: ok 134 264: ok 135 264: ok 136 264: ok 137 264: ok 138 264: ok 139 264: ok 140 264: ok 141 264: ok 142 264: ok 143 264: ok 144 264: ok 145 264: ok 146 264: ok 147 264: ok 148 264: ok 149 264: ok 150 264: ok 151 264: ok 152 264: ok 153 264: ok 154 264: ok 155 264: ok 156 264: ok 157 264: ok 158 264: ok 159 264: ok 160 264: ok 161 264: ok 162 264: ok 163 264: ok 164 264: ok 165 264: ok 166 264: ok 167 264: ok 168 264: ok 169 264: ok 170 264: ok 171 264: ok 172 264: ok 173 264: ok 174 264: ok 175 264: ok 176 264: ok 177 264: ok 178 264: ok 179 264: ok 180 264: ok 181 264: ok 182 264: ok 183 264: ok 184 264: ok 185 264: ok 186 264: ok 187 264: ok 188 264: ok 189 264: ok 190 264: ok 191 264: ok 192 264: ok 193 264: ok 194 264: ok 195 264: ok 196 264: ok 197 264: ok 198 264: ok 199 264: ok 200 264: ok 201 264: ok 202 264: ok 203 264: ok 204 264: ok 205 264: ok 206 264: ok 207 264: ok 208 264: ok 209 264: ok 210 264: ok 211 264: ok 212 264: ok 213 264: ok 214 264: ok 215 264: ok 216 264: ok 217 264: ok 218 264: ok 219 264: ok 220 264: ok 221 264: ok 222 264: ok 223 264: ok 224 264: ok 225 264: ok 226 264: ok 227 264: ok 228 264: ok 229 264: ok 230 264: ok 231 264: ok 232 264: ok 233 264: ok 234 264: ok 235 264: ok 236 264: ok 237 264: ok 238 264: ok 239 264: ok 240 264: ok 241 264: ok 242 264: ok 243 264: ok 244 264: ok 245 264: ok 246 264: ok 247 264: ok 248 264: ok 249 264: ok 250 264: ok 251 264: ok 252 264: ok 253 264: ok 254 264: ok 255 264: ok 256 264: ok 257 264: ok 258 264: ok 259 264: ok 260 264: ok 261 264: ok 262 264: ok 263 264: ok 264 264: ok 265 264: ok 266 264: ok 267 264: ok 268 264: ok 269 264: ok 270 264: ok 271 264: ok 272 264: ok 273 264: ok 274 264: ok 275 264: ok 276 264: ok 277 264: ok 278 264: ok 279 264: ok 280 264: ok 281 264: ok 282 264: ok 283 264: ok 284 264: ok 285 264: ok 286 264: ok 287 264: ok 288 264: ok 289 264: ok 290 264: ok 291 264: ok 292 264: ok 293 264: ok 294 264: ok 295 264: ok 296 264: ok 297 264: ok 298 264: ok 299 264: ok 300 264: ok 301 264: ok 302 264: ok 303 264: ok 304 264: ok 305 264: ok 306 264: ok 307 264: ok 308 264: ok 309 264: ok 310 264: ok 311 264: ok 312 264: ok 313 264: ok 314 264: ok 315 264: ok 316 264: ok 317 264: ok 318 264: ok 319 264: ok 320 264: ok 321 264: ok 322 264: ok 323 264: ok 324 264: ok 325 264: ok 326 264: ok 327 264: ok 328 264: ok 329 264: ok 330 264: ok 331 264: ok 332 264: ok 333 264: ok 334 264: ok 335 264: ok 336 264: ok 337 264: ok 338 264: ok 339 264: ok 340 264: ok 341 264: ok 342 264: ok 343 264: ok 344 264: ok 345 264: ok 346 264: ok 347 264: ok 348 264: ok 349 264: ok 350 264: ok 351 264: ok 352 264: ok 353 264: ok 354 264: ok 355 264: ok 356 264: ok 357 264: ok 358 264: ok 359 264: ok 360 264: ok 361 264: ok 362 264: ok 363 264: ok 364 264: ok 365 264: ok 366 264: ok 367 264: ok 368 264: ok 369 264: ok 370 264: ok 371 264: ok 372 264: ok 373 264: ok 374 264: ok 375 264: ok 376 264: ok 377 264: ok 378 264: ok 379 264: ok 380 264: ok 381 264: ok 382 264: ok 383 264: ok 384 264: ok 385 264: ok 386 264: ok 387 264: ok 388 264: ok 389 264: ok 390 264: ok 391 264: ok 392 264: ok 393 264: ok 394 264: ok 395 264: ok 396 264: ok 397 264: ok 398 264: ok 399 264: ok 400 264: ok 401 264: ok 402 264: ok 403 264: ok 404 264: ok 405 264: ok 406 264: ok 407 264: ok 408 264: ok 409 264: ok 410 264: ok 411 264: ok 412 264: ok 413 264: ok 414 264: ok 415 264: ok 416 264: ok 417 264: ok 418 264: ok 419 264: ok 420 264: ok 421 264: ok 422 264: ok 423 264: ok 424 264: ok 425 264: ok 426 264: ok 427 264: ok 428 264: ok 429 264: ok 430 264: ok 431 264: ok 432 264: ok 433 264: ok 434 264: ok 435 264: ok 436 264: ok 437 264: ok 438 264: ok 439 264: ok 440 264: ok 441 264: ok 442 264: ok 443 264: ok 444 264: ok 445 264: ok 446 264: ok 447 264: ok 448 264: ok 449 264: ok 450 264: ok 451 264: ok 452 264: ok 453 264: ok 454 264: ok 455 264: ok 456 264: ok 457 264: ok 458 264: ok 459 264: ok 460 264: ok 461 264: ok 462 264: ok 463 264: ok 464 264: ok 465 264: ok 466 264: ok 467 264: ok 468 264: ok 469 264: ok 470 264: ok 471 264: ok 472 264: ok 473 264: ok 474 264: ok 475 264: ok 476 264: ok 477 264: ok 478 264: ok 479 264: ok 480 264: ok 481 264: ok 482 264: ok 483 264: ok 484 264: ok 485 264: ok 486 264: ok 487 264: ok 488 264: ok 489 264: ok 490 264: ok 491 264: ok 492 264: ok 493 264: ok 494 264: ok 495 264: ok 496 264: ok 497 264: ok 498 264: ok 499 264: ok 500 264: ok 501 264: ok 502 264: ok 503 264: ok 504 264: ok 505 264: ok 506 264: ok 507 264: ok 508 264: ok 509 264: ok 510 264: ok 511 264: ok 512 264: ok 513 264: ok 514 264: ok 515 264: ok 516 264: ok 517 264: ok 518 264: ok 519 264: ok 520 264: ok 521 264: ok 522 264: ok 523 264: ok 524 264: ok 525 264: ok 526 264: ok 527 264: ok 528 264: ok 529 264: ok 530 264: ok 531 264: ok 532 264: ok 533 264: ok 534 264: ok 535 264: ok 536 264: ok 537 264: ok 538 264: ok 539 264: ok 540 264: ok 541 264: ok 542 264: ok 543 264: ok 544 264: ok 545 264: ok 546 264: ok 547 264: ok 548 264: ok 549 264: ok 550 264: ok 551 264: ok 552 264: ok 553 264: ok 554 264: ok 555 264: ok 556 264: ok 557 264: ok 558 264: ok 559 264: ok 560 264: ok 561 264: ok 562 264: ok 563 264: ok 564 264: ok 565 264: ok 566 264: ok 567 264: ok 568 264: ok 569 264: ok 570 264: ok 571 264: ok 572 264: ok 573 264: ok 574 264: ok 575 264: ok 576 264: ok 577 264: ok 578 264: ok 579 264: ok 580 264: ok 581 264: ok 582 264: ok 583 264: ok 584 264: ok 585 264: ok 586 264: ok 587 264: ok 588 264: ok 589 264: ok 590 264: ok 591 264: ok 592 264: ok 593 264: ok 594 264: ok 595 264: ok 596 264: ok 597 264: ok 598 264: ok 599 264: ok 600 264: ok 601 264: ok 602 264: ok 603 264: ok 604 264: ok 605 264: ok 606 264: ok 607 264: ok 608 264: ok 609 264: ok 610 264: ok 611 264: ok 612 264: ok 613 264: ok 614 264: ok 615 264: ok 616 264: ok 617 264: ok 618 264: ok 619 264: ok 620 264: ok 621 264: ok 622 264: ok 623 264: ok 624 264: ok 625 264: ok 626 264: ok 627 264: ok 628 264: ok 629 264: ok 630 264: ok 631 264: ok 632 264: ok 633 264: ok 634 264: ok 635 264: ok 636 264: ok 637 264: ok 638 264: ok 639 264: ok 640 264: ok 641 264: ok 642 264: ok 643 264: ok 644 264: ok 645 264: ok 646 264: ok 647 264: ok 648 264: ok 649 264: ok 650 264: ok 651 264: ok 652 264: ok 653 264: ok 654 264: ok 655 264: ok 656 264: ok 657 264: ok 658 264: ok 659 264: ok 660 264: ok 661 264: ok 662 264: ok 663 264: ok 664 264: ok 665 264: ok 666 264: ok 667 264: ok 668 264: ok 669 264: ok 670 264: ok 671 264: ok 672 264: ok 673 264: ok 674 264: ok 675 264: ok 676 264: ok 677 264: ok 678 264: ok 679 264: ok 680 264: ok 681 264: ok 682 264: ok 683 264: ok 684 264: ok 685 264: ok 686 264: ok 687 264: ok 688 264: ok 689 264: ok 690 264: ok 691 264: ok 692 264: ok 693 264: ok 694 264: ok 695 264: ok 696 264: ok 697 264: ok 698 264: ok 699 264: ok 700 264: ok 701 264: ok 702 264: ok 703 264: ok 704 264: ok 705 264: ok 706 264: ok 707 264: ok 708 264: ok 709 264: ok 710 264: ok 711 264: ok 712 264: ok 713 264: ok 714 264: ok 715 264: ok 716 264: ok 717 264: ok 718 264: ok 719 264: ok 720 264: ok 721 264: ok 722 264: ok 723 264: ok 724 264: ok 725 264: ok 726 264: ok 727 264: ok 728 264: ok 729 264: ok 730 264: ok 731 264: ok 732 264: ok 733 264: ok 734 264: ok 735 264: ok 736 264: ok 737 264: ok 738 264: ok 739 264: ok 740 264: ok 741 264: ok 742 264: ok 743 264: ok 744 264: ok 745 264: ok 746 264: ok 747 264: ok 748 264: ok 749 264: ok 750 264: ok 751 264: ok 752 264: ok 753 264: ok 754 264: ok 755 264: ok 756 264: ok 757 264: ok 758 264: ok 759 264: ok 760 264: ok 761 264: ok 762 264: ok 763 264: ok 764 264: ok 765 264: ok 766 264: ok 767 264: ok 768 264: ok 769 264: ok 770 264: ok 771 264: ok 772 264: ok 773 264: ok 774 264: ok 775 264: ok 776 264: ok 777 264: ok 778 264: ok 779 264: ok 780 264: ok 781 264: ok 782 264: ok 783 264: ok 784 264: ok 785 264: ok 786 264: ok 787 264: ok 788 264: ok 789 264: ok 790 264: ok 791 264: ok 792 264: ok 793 264: ok 794 264: ok 795 264: ok 796 264: ok 797 264: ok 798 264: ok 799 264: ok 800 264: ok 801 264: ok 802 264: ok 803 264: ok 804 264: ok 805 264: ok 806 264: ok 807 264: ok 808 264: ok 809 264: ok 810 264: ok 811 264: ok 812 264: ok 813 264: ok 814 264: ok 815 264: ok 816 264: ok 817 264: ok 818 264: ok 819 264: ok 820 264: ok 821 264: ok 822 264: ok 823 264: ok 824 264: ok 825 264: ok 826 264: ok 827 264: ok 828 264: ok 829 264: ok 830 264: ok 831 264: ok 832 264: ok 833 264: ok 834 264: ok 835 264: ok 836 264: ok 837 264: ok 838 264: ok 839 264: ok 840 264: ok 841 264: ok 842 264: ok 843 264: ok 844 264: ok 845 264: ok 846 264: ok 847 264: ok 848 264: ok 849 264: ok 850 264: ok 851 264: ok 852 264: ok 853 264: ok 854 264: ok 855 264: ok 856 264: ok 857 264: ok 858 264: ok 859 264: ok 860 264: ok 861 264: ok 862 264: ok 863 264: ok 864 264: ok 865 264: ok 866 264: ok 867 264: ok 868 264: ok 869 264: ok 870 264: ok 871 264: ok 872 264: ok 873 264: ok 874 264: ok 875 264: ok 876 264: ok 877 264: ok 878 264: ok 879 264: ok 880 264: ok 881 264: ok 882 264: ok 883 264: ok 884 264: ok 885 264: ok 886 264: ok 887 264: ok 888 264: ok 889 264: ok 890 264: ok 891 264: ok 892 264: ok 893 264: ok 894 264: ok 895 264: ok 896 264: ok 897 264: ok 898 264: ok 899 264: ok 900 264: ok 901 264: ok 902 264: ok 903 264: ok 904 264: ok 905 264: ok 906 264: ok 907 264: ok 908 264: ok 909 264: ok 910 264: ok 911 264: ok 912 264: ok 913 264: ok 914 264: ok 915 264: ok 916 264: ok 917 264: ok 918 264: ok 919 264: ok 920 264: ok 921 264: ok 922 264: ok 923 264: ok 924 264: ok 925 264: ok 926 264: ok 927 264: ok 928 264: ok 929 264: ok 930 264: ok 931 264: ok 932 264: ok 933 264: ok 934 264: ok 935 264: ok 936 264: ok 937 264: ok 938 264: ok 939 264: ok 940 264: ok 941 264: ok 942 264: ok 943 264: ok 944 264: ok 945 264: ok 946 264: ok 947 264: ok 948 264: ok 949 264: ok 950 264: ok 951 264: ok 952 264: ok 953 264: ok 954 264: ok 955 264: ok 956 264: ok 957 264: ok 958 264: ok 959 264: ok 960 264: ok 961 264: ok 962 264: ok 963 264: ok 964 264: ok 965 264: ok 966 264: ok 967 264: ok 968 264: ok 969 264: ok 970 264: ok 971 264: ok 972 264: ok 973 264: ok 974 264: ok 975 264: ok 976 264: ok 977 264: ok 978 264: ok 979 264: ok 980 264: ok 981 264: ok 982 264: ok 983 264: ok 984 264: ok 985 264: ok 986 264: ok 987 264: ok 988 264: ok 989 264: ok 990 264: ok 991 264: ok 992 264: ok 993 264: ok 994 264: ok 995 264: ok 996 264: ok 997 264: ok 998 264: ok 999 264: ok 1000 264: ok 1001 264: ok 1002 264: ok 1003 264: ok 1004 264: ok 1005 264: ok 1006 264: ok 1007 264: ok 1008 264: ok 1009 264: ok 1010 264: ok 1011 264: ok 1012 264: ok 1013 264: ok 1014 264: ok 1015 264: ok 1016 264: ok 1017 264: ok 1018 264: ok 1019 264: ok 1020 264: ok 1021 264: ok 1022 264: ok 1023 264: ok 1024 264: ok 1025 264: ok 1026 264: ok 1027 264: ok 1028 264: ok 1029 264: ok 1030 264: ok 1031 264: ok 1032 264: ok 1033 264: ok 1034 264: ok 1035 264: ok 1036 264: ok 1037 264: ok 1038 264: ok 1039 264: ok 1040 264: ok 1041 264: ok 1042 264: ok 1043 264: ok 1044 264: ok 1045 264: ok 1046 264: ok 1047 264: ok 1048 264: ok 1049 264: ok 1050 264: ok 1051 264: ok 1052 264: ok 1053 264: ok 1054 264: ok 1055 264: ok 1056 264: ok 1057 264: ok 1058 264: ok 1059 264: ok 1060 264: ok 1061 264: ok 1062 264: ok 1063 264: ok 1064 264: ok 1065 264: ok 1066 264: ok 1067 264: ok 1068 264: ok 1069 264: ok 1070 264: ok 1071 264: ok 1072 264: ok 1073 264: ok 1074 264: ok 1075 264: ok 1076 264: ok 1077 264: ok 1078 264: ok 1079 264: ok 1080 264: ok 1081 264: ok 1082 264: ok 1083 264: ok 1084 264: ok 1085 264: ok 1086 264: ok 1087 264: ok 1088 264: ok 1089 264: ok 1090 264: ok 1091 264: ok 1092 264: ok 1093 264: ok 1094 264: ok 1095 264: ok 1096 264: ok 1097 264: ok 1098 264: ok 1099 264: ok 1100 264: ok 1101 264: ok 1102 264: ok 1103 264: ok 1104 264: ok 1105 264: ok 1106 264: ok 1107 264: ok 1108 264: ok 1109 264: ok 1110 264: ok 1111 264: ok 1112 264: ok 1113 264: ok 1114 264: ok 1115 264: ok 1116 264: ok 1117 264: ok 1118 264: ok 1119 264: ok 1120 264: ok 1121 264: ok 1122 264: ok 1123 264: ok 1124 264: ok 1125 264: ok 1126 264: ok 1127 264: ok 1128 264: ok 1129 264: ok 1130 264: ok 1131 264: ok 1132 264: ok 1133 264: ok 1134 264: ok 1135 264: ok 1136 264: ok 1137 264: ok 1138 264: ok 1139 264: ok 1140 264: ok 1141 264: ok 1142 264: ok 1143 264: ok 1144 264: ok 1145 264: ok 1146 264: ok 1147 264: ok 1148 264: ok 1149 264: ok 1150 264: ok 1151 264: ok 1152 264: ok 1153 264: ok 1154 264: ok 1155 264: ok 1156 264: ok 1157 264: ok 1158 264: ok 1159 264: ok 1160 264: ok 1161 264: ok 1162 264: ok 1163 264: ok 1164 264: ok 1165 264: ok 1166 264: ok 1167 264: ok 1168 264: ok 1169 264: ok 1170 264: ok 1171 264: ok 1172 264: ok 1173 264: ok 1174 264: ok 1175 264: ok 1176 264: ok 1177 264: ok 1178 264: ok 1179 264: ok 1180 264: ok 1181 264: ok 1182 264: ok 1183 264: ok 1184 264: ok 1185 264: ok 1186 264: ok 1187 264: ok 1188 264: ok 1189 264: ok 1190 264: ok 1191 264: ok 1192 264: ok 1193 264: ok 1194 264: ok 1195 264: ok 1196 264: ok 1197 264: ok 1198 264: ok 1199 264: ok 1200 264: ok 1201 264: ok 1202 264: ok 1203 264: ok 1204 264: ok 1205 264: ok 1206 264: ok 1207 264: ok 1208 264: ok 1209 264: ok 1210 264: ok 1211 264: ok 1212 264: ok 1213 264: ok 1214 264: ok 1215 264: ok 1216 264: ok 1217 264: ok 1218 264: ok 1219 264: ok 1220 264: ok 1221 264: ok 1222 264: ok 1223 264: ok 1224 264: ok 1225 264: ok 1226 264: ok 1227 264: ok 1228 264: ok 1229 264: ok 1230 264: ok 1231 264: ok 1232 264: ok 1233 264: ok 1234 264: ok 1235 264: ok 1236 264: ok 1237 264: ok 1238 264: ok 1239 264: ok 1240 264: ok 1241 264: ok 1242 264: ok 1243 264: ok 1244 264: ok 1245 264: ok 1246 264: ok 1247 264: ok 1248 264: ok 1249 264: ok 1250 264: ok 1251 264: ok 1252 264: ok 1253 264: ok 1254 264: ok 1255 264: ok 1256 264: ok 1257 264: ok 1258 264: ok 1259 264: ok 1260 264: ok 1261 264: ok 1262 264: ok 1263 264: ok 1264 264: ok 1265 264: ok 1266 264: ok 1267 264: ok 1268 264: ok 1269 264: ok 1270 264: ok 1271 264: ok 1272 264: ok 1273 264: ok 1274 264: ok 1275 264: ok 1276 264: ok 1277 264: ok 1278 264: ok 1279 264: ok 1280 264: ok 1281 264: ok 1282 264: ok 1283 264: ok 1284 264: ok 1285 264: ok 1286 264: ok 1287 264: ok 1288 264: ok 1289 264: ok 1290 264: ok 1291 264: ok 1292 264: ok 1293 264: ok 1294 264: ok 1295 264: ok 1296 264: ok 1297 264: ok 1298 264: ok 1299 264: ok 1300 264: ok 1301 264: ok 1302 264: ok 1303 264: ok 1304 264: ok 1305 264: ok 1306 264: ok 1307 264: ok 1308 264: ok 1309 264: ok 1310 264: ok 1311 264: ok 1312 264: ok 1313 264: ok 1314 264: ok 1315 264: ok 1316 264: ok 1317 264: ok 1318 264: ok 1319 264: ok 1320 264: ok 1321 264: ok 1322 264: ok 1323 264: ok 1324 264: ok 1325 264: ok 1326 264: ok 1327 264: ok 1328 264: ok 1329 264: ok 1330 264: ok 1331 264: ok 1332 264: ok 1333 264: ok 1334 264: ok 1335 264: ok 1336 264: ok 1337 264: ok 1338 264: ok 1339 264: ok 1340 264: ok 1341 264: ok 1342 264: ok 1343 264: ok 1344 264: ok 1345 264: ok 1346 264: ok 1347 264: ok 1348 264: ok 1349 264: ok 1350 264: ok 1351 264: ok 1352 264: ok 1353 264: ok 1354 264: ok 1355 264: ok 1356 264: ok 1357 264: ok 1358 264: ok 1359 264: ok 1360 264: ok 1361 264: ok 1362 264: ok 1363 264: ok 1364 264: ok 1365 264: ok 1366 264: ok 1367 264: ok 1368 264: ok 1369 264: ok 1370 264: ok 1371 264: ok 1372 264: ok 1373 264: ok 1374 264: ok 1375 264: ok 1376 264: ok 1377 264: ok 1378 264: ok 1379 264: ok 1380 264: ok 1381 264: ok 1382 264: ok 1383 264: ok 1384 264: ok 1385 264: ok 1386 264: ok 1387 264: ok 1388 264: ok 1389 264: ok 1390 264: ok 1391 264: ok 1392 264: ok 1393 264: ok 1394 264: ok 1395 264: ok 1396 264: ok 1397 264: ok 1398 264: ok 1399 264: ok 1400 264: ok 1401 264: ok 1402 264: ok 1403 264: ok 1404 264: ok 1405 264: ok 1406 264: ok 1407 264: ok 1408 264: ok 1409 264: ok 1410 264: ok 1411 264: ok 1412 264: ok 1413 264: ok 1414 264: ok 1415 264: ok 1416 264: ok 1417 264: ok 1418 264: ok 1419 264: ok 1420 264: ok 1421 264: ok 1422 264: ok 1423 264: ok 1424 264: ok 1425 264: ok 1426 264: ok 1427 264: ok 1428 264: ok 1429 264: ok 1430 264: ok 1431 264: ok 1432 264: ok 1433 264: ok 1434 264: ok 1435 264: ok 1436 264: ok 1437 264: ok 1438 264: ok 1439 264: ok 1440 264: ok 1441 264: ok 1442 264: ok 1443 264: ok 1444 264: ok 1445 264: ok 1446 264: ok 1447 264: ok 1448 264: ok 1449 264: ok 1450 264: ok 1451 264: ok 1452 264: ok 1453 264: ok 1454 264: ok 1455 264: ok 1456 264: ok 1457 264: ok 1458 264: ok 1459 264: ok 1460 264: ok 1461 264: ok 1462 264: ok 1463 264: ok 1464 264: ok 1465 264: ok 1466 264: ok 1467 264: ok 1468 264: ok 1469 264: ok 1470 264: ok 1471 264: ok 1472 264: ok 1473 264: ok 1474 264: ok 1475 264: ok 1476 264: ok 1477 264: ok 1478 264: ok 1479 264: ok 1480 264: ok 1481 264: ok 1482 264: ok 1483 264: ok 1484 264: ok 1485 264: ok 1486 264: ok 1487 264: ok 1488 264: ok 1489 264: ok 1490 264: ok 1491 264: ok 1492 264: ok 1493 264: ok 1494 264: ok 1495 264: ok 1496 264: ok 1497 264: ok 1498 264: ok 1499 264: ok 1500 264: ok 1501 264: ok 1502 264: ok 1503 264: ok 1504 264: ok 1505 264: ok 1506 264: ok 1507 264: ok 1508 264: ok 1509 264: ok 1510 264: ok 1511 264: ok 1512 264: ok 1513 264: ok 1514 264: ok 1515 264: ok 1516 264: ok 1517 264: ok 1518 264: ok 1519 264: ok 1520 264: ok 1521 264: ok 1522 264: ok 1523 264: ok 1524 264: ok 1525 264: ok 1526 264: ok 1527 264: ok 1528 264: ok 1529 264: ok 1530 264: ok 1531 264: ok 1532 264: ok 1533 264: ok 1534 264: ok 1535 264: ok 1536 264: ok 1537 264: ok 1538 264: ok 1539 264: ok 1540 264: ok 1541 264: ok 1542 264: ok 1543 264: ok 1544 264: ok 1545 264: ok 1546 264: ok 1547 264: ok 1548 264: ok 1549 264: ok 1550 264: ok 1551 264: ok 1552 264: ok 1553 264: ok 1554 264: ok 1555 264: ok 1556 264: ok 1557 264: ok 1558 264: ok 1559 264: ok 1560 264: ok 1561 264: ok 1562 264: ok 1563 264: ok 1564 264: ok 1565 264: ok 1566 264: ok 1567 264: ok 1568 264: ok 1569 264: ok 1570 264: ok 1571 264: ok 1572 264: ok 1573 264: ok 1574 264: ok 1575 264: ok 1576 264: ok 1577 264: ok 1578 264: ok 1579 264: ok 1580 264: ok 1581 264: ok 1582 264: ok 1583 264: ok 1584 264: ok 1585 264: ok 1586 264: ok 1587 264: ok 1588 264: ok 1589 264: ok 1590 264: ok 1591 264: ok 1592 264: ok 1593 264: ok 1594 264: ok 1595 264: ok 1596 264: ok 1597 264: ok 1598 264: ok 1599 264: ok 1600 264: ok 1601 264: ok 1602 264: ok 1603 264: ok 1604 264: ok 1605 264: ok 1606 264: ok 1607 264: ok 1608 264: ok 1609 264: ok 1610 264: ok 1611 264: ok 1612 264: ok 1613 264: ok 1614 264: ok 1615 264: ok 1616 264: ok 1617 264: ok 1618 264: ok 1619 264: ok 1620 264: ok 1621 264: ok 1622 264: ok 1623 264: ok 1624 264: ok 1625 264: ok 1626 264: ok 1627 264: ok 1628 264: ok 1629 264: ok 1630 264: ok 1631 264: ok 1632 264: ok 1633 264: ok 1634 264: ok 1635 264: ok 1636 264: ok 1637 264: ok 1638 264: ok 1639 264: ok 1640 264: ok 1641 264: ok 1642 264: ok 1643 264: ok 1644 264: ok 1645 264: ok 1646 264: ok 1647 264: ok 1648 264: ok 1649 264: ok 1650 264: ok 1651 264: ok 1652 264: ok 1653 264: ok 1654 264: ok 1655 264: ok 1656 264: ok 1657 264: ok 1658 264: ok 1659 264: ok 1660 264: ok 1661 264: ok 1662 264: ok 1663 264: ok 1664 264: ok 1665 264: ok 1666 264: ok 1667 264: ok 1668 264: ok 1669 264: ok 1670 264: ok 1671 264: ok 1672 264: ok 1673 264: ok 1674 264: ok 1675 264: ok 1676 264: ok 1677 264: ok 1678 264: ok 1679 264: ok 1680 264: ok 1681 264: ok 1682 264: ok 1683 264: ok 1684 264: ok 1685 264: ok 1686 264: ok 1687 264: ok 1688 264: ok 1689 264: ok 1690 264: ok 1691 264: ok 1692 264: ok 1693 264: ok 1694 264: ok 1695 264: ok 1696 264: ok 1697 264: ok 1698 264: ok 1699 264: ok 1700 264: ok 1701 264: ok 1702 264: ok 1703 264: ok 1704 264: ok 1705 264: ok 1706 264: ok 1707 264: ok 1708 264: ok 1709 264: ok 1710 264: ok 1711 264: ok 1712 264: ok 1713 264: ok 1714 264: ok 1715 264: ok 1716 264: ok 1717 264: ok 1718 264: ok 1719 264: ok 1720 264: ok 1721 264: ok 1722 264: ok 1723 264: ok 1724 264: ok 1725 264: ok 1726 264: ok 1727 264: ok 1728 264: ok 1729 264: ok 1730 264: ok 1731 264: ok 1732 264: ok 1733 264: ok 1734 264: ok 1735 264: ok 1736 264: ok 1737 264: ok 1738 264: ok 1739 264: ok 1740 264: ok 1741 264: ok 1742 264: ok 1743 264: ok 1744 264: ok 1745 264: ok 1746 264: ok 1747 264: ok 1748 264: ok 1749 264: ok 1750 264: ok 1751 264: ok 1752 264: ok 1753 264: ok 1754 264: ok 1755 264: ok 1756 264: ok 1757 264: ok 1758 264: ok 1759 264: ok 1760 264: ok 1761 264: ok 1762 264: ok 1763 264: ok 1764 264: ok 1765 264: ok 1766 264: ok 1767 264: ok 1768 264: ok 1769 264: ok 1770 264: ok 1771 264: ok 1772 264: ok 1773 264: ok 1774 264: ok 1775 264: ok 1776 264: ok 1777 264: ok 1778 264: ok 1779 264: ok 1780 264: ok 1781 264: ok 1782 264: ok 1783 264: ok 1784 264: ok 1785 264: ok 1786 264: ok 1787 264: ok 1788 264: ok 1789 264: ok 1790 264: ok 1791 264: ok 1792 264: ok 1793 264: ok 1794 264: ok 1795 264: ok 1796 264: ok 1797 264: ok 1798 264: ok 1799 264: ok 1800 264: ok 1801 264: ok 1802 264: ok 1803 264: ok 1804 264: ok 1805 264: ok 1806 264: ok 1807 264: ok 1808 264: ok 1809 264: ok 1810 264: ok 1811 264: ok 1812 264: ok 1813 264: ok 1814 264: ok 1815 264: ok 1816 264: ok 1817 264: ok 1818 264: ok 1819 264: ok 1820 264: ok 1821 264: ok 1822 264: ok 1823 264: ok 1824 264: ok 1825 264: ok 1826 264: ok 1827 264: ok 1828 264: ok 1829 264: ok 1830 264: ok 1831 264: ok 1832 264: ok 1833 264: ok 1834 264: ok 1835 264: ok 1836 264: ok 1837 264: ok 1838 264: ok 1839 264: ok 1840 264: ok 1841 264: ok 1842 264: ok 1843 264: ok 1844 264: ok 1845 264: ok 1846 264: ok 1847 264: ok 1848 264: ok 1849 264: ok 1850 264: ok 1851 264: ok 1852 264: ok 1853 264: ok 1854 264: ok 1855 264: ok 1856 264: ok 1857 264: ok 1858 264: ok 1859 264: ok 1860 264: ok 1861 264: ok 1862 264: ok 1863 264: ok 1864 264: ok 1865 264: ok 1866 264: ok 1867 264: ok 1868 264: ok 1869 264: ok 1870 264: ok 1871 264: ok 1872 264: ok 1873 264: ok 1874 264: ok 1875 264: ok 1876 264: ok 1877 264: ok 1878 264: ok 1879 264: ok 1880 264: ok 1881 264: ok 1882 264: ok 1883 264: ok 1884 264: ok 1885 264: ok 1886 264: ok 1887 264: ok 1888 264: ok 1889 264: ok 1890 264: ok 1891 264: ok 1892 264: ok 1893 264: ok 1894 264: ok 1895 264: ok 1896 264: ok 1897 264: ok 1898 264: ok 1899 264: ok 1900 264: ok 1901 264: ok 1902 264: ok 1903 264: ok 1904 264: ok 1905 264: ok 1906 264: ok 1907 264: ok 1908 264: ok 1909 264: ok 1910 264: ok 1911 264: ok 1912 264: ok 1913 264: ok 1914 264: ok 1915 264: ok 1916 264: ok 1917 264: ok 1918 264: ok 1919 264: ok 1920 264: ok 1921 264: ok 1922 264: ok 1923 264: ok 1924 264: ok 1925 264: ok 1926 264: ok 1927 264: ok 1928 264: ok 1929 264: ok 1930 264: ok 1931 264: ok 1932 264: ok 1933 264: ok 1934 264: ok 1935 264: ok 1936 264: ok 1937 264: ok 1938 264: ok 1939 264: ok 1940 264: ok 1941 264: ok 1942 264: ok 1943 264: ok 1944 264: ok 1945 264: ok 1946 264: ok 1947 264: ok 1948 264: ok 1949 264: ok 1950 264: ok 1951 264: ok 1952 264: ok 1953 264: ok 1954 264: ok 1955 264: ok 1956 264: ok 1957 264: ok 1958 264: ok 1959 264: ok 1960 264: ok 1961 264: ok 1962 264: ok 1963 264: ok 1964 264: ok 1965 264: ok 1966 264: ok 1967 264: ok 1968 264: ok 1969 264: ok 1970 264: ok 1971 264: ok 1972 264: ok 1973 264: ok 1974 264: ok 1975 264: ok 1976 264: ok 1977 264: ok 1978 264: ok 1979 264: ok 1980 264: ok 1981 264: ok 1982 264: ok 1983 264: ok 1984 264: ok 1985 264: ok 1986 264: ok 1987 264: ok 1988 264: ok 1989 264: ok 1990 264: ok 1991 264: ok 1992 264: ok 1993 264: ok 1994 264: ok 1995 264: ok 1996 264: ok 1997 264: ok 1998 264: ok 1999 264: ok 2000 264: ok 2001 264: ok 2002 264: ok 2003 264: ok 2004 264: ok 2005 264: ok 2006 264: ok 2007 264: ok 2008 264: ok 2009 264: ok 2010 264: ok 2011 264: ok 2012 264: ok 2013 264: ok 2014 264: ok 2015 264: ok 2016 264: ok 2017 264: ok 2018 264: ok 2019 264: ok 2020 264: ok 2021 264: ok 2022 264: ok 2023 264: ok 2024 264: ok 2025 264: ok 2026 264: ok 2027 264: ok 2028 264: ok 2029 264: ok 2030 264: ok 2031 264: ok 2032 264: ok 2033 264: ok 2034 264: ok 2035 264: ok 2036 264: ok 2037 264: ok 2038 264: ok 2039 264: ok 2040 264: ok 2041 264: ok 2042 264: ok 2043 264: ok 2044 264: ok 2045 264: ok 2046 264: ok 2047 264: ok 2048 264: ok 2049 264: ok 2050 264: ok 2051 264: ok 2052 264: ok 2053 264: ok 2054 264: ok 2055 264: ok 2056 264: ok 2057 264: ok 2058 264: ok 2059 264: ok 2060 264: ok 2061 264: ok 2062 264: ok 2063 264: ok 2064 264: ok 2065 264: ok 2066 264: ok 2067 264: ok 2068 264: ok 2069 264: ok 2070 264: ok 2071 264: ok 2072 264: ok 2073 264: ok 2074 264: ok 2075 264: ok 2076 264: ok 2077 264: ok 2078 264: ok 2079 264: ok 2080 264: ok 2081 264: ok 2082 264: ok 2083 264: ok 2084 264: ok 2085 264: ok 2086 264: ok 2087 264: ok 2088 264: ok 2089 264: ok 2090 264: ok 2091 264: ok 2092 264: ok 2093 264: ok 2094 264: ok 2095 264: ok 2096 264: ok 2097 264: ok 2098 264: ok 2099 264: ok 2100 264: ok 2101 264: ok 2102 264: ok 2103 264: ok 2104 264: ok 2105 264: ok 2106 264: ok 2107 264: ok 2108 264: ok 2109 264: ok 2110 264: ok 2111 264: ok 2112 264: ok 2113 264: ok 2114 264: ok 2115 264: ok 2116 264: ok 2117 264: ok 2118 264: ok 2119 264: ok 2120 264: ok 2121 264: ok 2122 264: ok 2123 264: ok 2124 264: ok 2125 264: ok 2126 264: ok 2127 264: ok 2128 264: ok 2129 264: ok 2130 264: ok 2131 264: ok 2132 264: ok 2133 264: ok 2134 264: ok 2135 264: ok 2136 264: ok 2137 264: ok 2138 264: ok 2139 264: ok 2140 264: ok 2141 264: ok 2142 264: ok 2143 264: ok 2144 264: ok 2145 264: ok 2146 264: ok 2147 264: ok 2148 264: ok 2149 264: ok 2150 264: ok 2151 264: ok 2152 264: ok 2153 264: ok 2154 264: ok 2155 264: ok 2156 264: ok 2157 264: ok 2158 264: ok 2159 264: ok 2160 264: ok 2161 264: ok 2162 264: ok 2163 264: ok 2164 264: ok 2165 264: ok 2166 264: ok 2167 264: ok 2168 264: ok 2169 264: ok 2170 264: ok 2171 264: ok 2172 264: ok 2173 264: ok 2174 264: ok 2175 264: ok 2176 264: ok 2177 264: ok 2178 264: ok 2179 264: ok 2180 264: ok 2181 264: ok 2182 264: ok 2183 264: ok 2184 264: ok 2185 264: ok 2186 264: ok 2187 264: ok 2188 264: ok 2189 264: ok 2190 264: ok 2191 264: ok 2192 264: ok 2193 264: ok 2194 264: ok 2195 264: ok 2196 264: ok 2197 264: ok 2198 264: ok 2199 264: ok 2200 264: ok 2201 264: ok 2202 264: ok 2203 264: ok 2204 264: ok 2205 264: ok 2206 264: ok 2207 264: ok 2208 264: ok 2209 264: ok 2210 264: ok 2211 264: ok 2212 264: ok 2213 264: ok 2214 264: ok 2215 264: ok 2216 264: ok 2217 264: ok 2218 264: ok 2219 264: ok 2220 264: ok 2221 264: ok 2222 264: ok 2223 264: ok 2224 264: ok 2225 264: ok 2226 264: ok 2227 264: ok 2228 264: ok 2229 264: ok 2230 264: ok 2231 264: ok 2232 264: ok 2233 264: ok 2234 264: ok 2235 264: ok 2236 264: ok 2237 264: ok 2238 264: ok 2239 264: ok 2240 264: ok 2241 264: ok 2242 264: ok 2243 264: ok 2244 264: ok 2245 264: ok 2246 264: ok 2247 264: ok 2248 264: ok 2249 264: ok 2250 264: ok 2251 264: ok 2252 264: ok 2253 264: ok 2254 264: ok 2255 264: ok 2256 264: ok 2257 264: ok 2258 264: ok 2259 264: ok 2260 264: ok 2261 264: ok 2262 264: ok 2263 264: ok 2264 264: ok 2265 264: ok 2266 264: ok 2267 264: ok 2268 264: ok 2269 264: ok 2270 264: ok 2271 264: ok 2272 264: ok 2273 264: ok 2274 264: ok 2275 264: ok 2276 264: ok 2277 264: ok 2278 264: ok 2279 264: ok 2280 264: ok 2281 264: ok 2282 264: ok 2283 264: ok 2284 264: ok 2285 264: ok 2286 264: ok 2287 264: ok 2288 264: ok 2289 264: ok 2290 264: ok 2291 264: ok 2292 264: ok 2293 264: ok 2294 264: ok 2295 264: ok 2296 264: ok 2297 264: ok 2298 264: ok 2299 264: ok 2300 264: ok 2301 264: ok 2302 264: ok 2303 264: ok 2304 264: ok 2305 264: ok 2306 264: ok 2307 264: ok 2308 264: ok 2309 264: ok 2310 264: ok 2311 264: ok 2312 264: ok 2313 264: ok 2314 264: ok 2315 264: ok 2316 264: ok 2317 264: ok 2318 264: ok 2319 264: ok 2320 264: ok 2321 264: ok 2322 264: ok 2323 264: ok 2324 264: ok 2325 264: ok 2326 264: ok 2327 264: ok 2328 264: ok 2329 264: ok 2330 264: ok 2331 264: ok 2332 264: ok 2333 264: ok 2334 264: ok 2335 264: ok 2336 264: ok 2337 264: ok 2338 264: ok 2339 264: ok 2340 264: ok 2341 264: ok 2342 264: ok 2343 264: ok 2344 264: ok 2345 264: ok 2346 264: ok 2347 264: ok 2348 264: ok 2349 264: ok 2350 264: ok 2351 264: ok 2352 264: ok 2353 264: ok 2354 264: ok 2355 264: ok 2356 264: ok 2357 264: ok 2358 264: ok 2359 264: ok 2360 264: ok 2361 264: ok 2362 264: ok 2363 264: ok 2364 264: ok 2365 264: ok 2366 264: ok 2367 264: ok 2368 264: ok 2369 264: ok 2370 264: ok 2371 264: ok 2372 264: ok 2373 264: ok 2374 264: ok 2375 264: ok 2376 264: ok 2377 264: ok 2378 264: ok 2379 264: ok 2380 264: ok 2381 264: ok 2382 264: ok 2383 264: ok 2384 264: ok 2385 264: ok 2386 264: ok 2387 264: ok 2388 264: ok 2389 264: ok 2390 264: ok 2391 264: ok 2392 264: ok 2393 264: ok 2394 264: ok 2395 264: ok 2396 264: ok 2397 264: ok 2398 264: ok 2399 264: ok 2400 264: ok 2401 264: ok 2402 264: ok 2403 264: ok 2404 264: ok 2405 264: ok 2406 264: ok 2407 264: ok 2408 264: ok 2409 264: ok 2410 264: ok 2411 264: ok 2412 264: ok 2413 264: ok 2414 264: ok 2415 264: ok 2416 264: ok 2417 264: ok 2418 264: ok 2419 264: ok 2420 264: ok 2421 264: ok 2422 264: ok 2423 264: ok 2424 264: ok 2425 264: ok 2426 264: ok 2427 264: ok 2428 264: ok 2429 264: ok 2430 264: ok 2431 264: ok 2432 264: ok 2433 264: ok 2434 264: ok 2435 264: ok 2436 264: ok 2437 264: ok 2438 264: ok 2439 264: ok 2440 264: ok 2441 264: ok 2442 264: ok 2443 264: ok 2444 264: ok 2445 264: ok 2446 264: ok 2447 264: ok 2448 264: ok 2449 264: ok 2450 264: ok 2451 264: ok 2452 264: ok 2453 264: ok 2454 264: ok 2455 264: ok 2456 264: ok 2457 264: ok 2458 264: ok 2459 264: ok 2460 264: ok 2461 264: ok 2462 264: ok 2463 264: ok 2464 264: ok 2465 264: ok 2466 264: ok 2467 264: ok 2468 264: ok 2469 264: ok 2470 264: ok 2471 264: ok 2472 264: ok 2473 264: ok 2474 264: ok 2475 264: ok 2476 264: ok 2477 264: ok 2478 264: ok 2479 264: ok 2480 264: ok 2481 264: ok 2482 264: ok 2483 264: ok 2484 264: ok 2485 264: ok 2486 264: ok 2487 264: ok 2488 264: ok 2489 264: ok 2490 264: ok 2491 264: ok 2492 264: ok 2493 264: ok 2494 264: ok 2495 264: ok 2496 264: ok 2497 264: ok 2498 264: ok 2499 264: ok 2500 264: ok 2501 264: ok 2502 264: ok 2503 264: ok 2504 264: ok 2505 264: ok 2506 264: ok 2507 264: ok 2508 264: ok 2509 264: ok 2510 264: ok 2511 264: ok 2512 264: ok 2513 264: ok 2514 264: ok 2515 264: ok 2516 264: ok 2517 264: ok 2518 264: ok 2519 264: ok 2520 264: ok 2521 264: ok 2522 264: ok 2523 264: ok 2524 264: ok 2525 264: ok 2526 264: ok 2527 264: ok 2528 264: ok 2529 264: ok 2530 264: ok 2531 264: ok 2532 264: ok 2533 264: ok 2534 264: ok 2535 264: ok 2536 264: ok 2537 264: ok 2538 264: ok 2539 264: ok 2540 264: ok 2541 264: ok 2542 264: ok 2543 264: ok 2544 264: ok 2545 264: ok 2546 264: ok 2547 264: ok 2548 264: ok 2549 264: ok 2550 264: ok 2551 264: ok 2552 264: ok 2553 264: ok 2554 264: ok 2555 264: ok 2556 264: ok 2557 264: ok 2558 264: ok 2559 264: ok 2560 264: ok 2561 264: ok 2562 264: ok 2563 264: ok 2564 264: ok 2565 264: ok 2566 264: ok 2567 264: ok 2568 264: ok 2569 264: ok 2570 264: ok 2571 264: ok 2572 264: ok 2573 264: ok 2574 264: ok 2575 264: ok 2576 264: ok 2577 264: ok 2578 264: ok 2579 264: ok 2580 264: ok 2581 264: ok 2582 264: ok 2583 264: ok 2584 264: ok 2585 264: ok 2586 264: ok 2587 264: ok 2588 264: ok 2589 264: ok 2590 264: ok 2591 264: ok 2592 264: ok 2593 264: ok 2594 264: ok 2595 264: ok 2596 264: ok 2597 264: ok 2598 264: ok 2599 264: ok 2600 264: ok 2601 264: ok 2602 264: ok 2603 264: ok 2604 264: ok 2605 264: ok 2606 264: ok 2607 264: ok 2608 264: ok 2609 264: ok 2610 264: ok 2611 264: ok 2612 264: ok 2613 264: ok 2614 264: ok 2615 264: ok 2616 264: ok 2617 264: ok 2618 264: ok 2619 264: ok 2620 264: ok 2621 264: ok 2622 264: ok 2623 264: ok 2624 264: ok 2625 264: ok 2626 264: ok 2627 264: ok 2628 264: ok 2629 264: ok 2630 264: ok 2631 264: ok 2632 264: ok 2633 264: ok 2634 264: ok 2635 264: ok 2636 264: ok 2637 264: ok 2638 264: ok 2639 264: ok 2640 264: ok 2641 264: ok 2642 264: ok 2643 264: ok 2644 264: ok 2645 264: ok 2646 264: ok 2647 264: ok 2648 264: ok 2649 264: ok 2650 264: ok 2651 264: ok 2652 264: ok 2653 264: ok 2654 264: ok 2655 264: ok 2656 264: ok 2657 264: ok 2658 264: ok 2659 264: ok 2660 264: ok 2661 264: ok 2662 264: ok 2663 264: ok 2664 264: ok 2665 264: ok 2666 264: ok 2667 264: ok 2668 264: ok 2669 264: ok 2670 264: ok 2671 264: ok 2672 264: ok 2673 264: ok 2674 264: ok 2675 264: ok 2676 264: ok 2677 264: ok 2678 264: ok 2679 264: ok 2680 264: ok 2681 264: ok 2682 264: ok 2683 264: ok 2684 264: ok 2685 264: ok 2686 264: ok 2687 264: ok 2688 264: ok 2689 264: ok 2690 264: ok 2691 264: ok 2692 264: ok 2693 264: ok 2694 264: ok 2695 264: ok 2696 264: ok 2697 264: ok 2698 264: ok 2699 264: ok 2700 264: ok 2701 264: ok 2702 264: ok 2703 264: ok 2704 264: ok 2705 264: ok 2706 264: ok 2707 264: ok 2708 264: ok 2709 264: ok 2710 264: ok 2711 264: ok 2712 264: ok 2713 264: ok 2714 264: ok 2715 264: ok 2716 264: ok 2717 264: ok 2718 264: ok 2719 264: ok 2720 264: ok 2721 264: ok 2722 264: ok 2723 264: ok 2724 264: ok 2725 264: ok 2726 264: ok 2727 264: ok 2728 264: ok 2729 264: ok 2730 264: ok 2731 264: ok 2732 264: ok 2733 264: ok 2734 264: ok 2735 264: ok 2736 264: ok 2737 264: ok 2738 264: ok 2739 264: ok 2740 264: ok 2741 264: ok 2742 264: ok 2743 264: ok 2744 264: ok 2745 264: ok 2746 264: ok 2747 264: ok 2748 264: ok 2749 264: ok 2750 264: ok 2751 264: ok 2752 264: ok 2753 264: ok 2754 264: ok 2755 264: ok 2756 264: ok 2757 264: ok 2758 264: ok 2759 264: ok 2760 264: ok 2761 264: ok 2762 264: ok 2763 264: ok 2764 264: ok 2765 264: ok 2766 264: ok 2767 264: ok 2768 264: ok 2769 264: ok 2770 264: ok 2771 264: ok 2772 264: ok 2773 264: ok 2774 264: ok 2775 264: ok 2776 264: ok 2777 264: ok 2778 264: ok 2779 264: ok 2780 264: ok 2781 264: ok 2782 264: ok 2783 264: ok 2784 264: ok 2785 264: ok 2786 264: ok 2787 264: ok 2788 264: ok 2789 264: ok 2790 264: ok 2791 264: ok 2792 264: ok 2793 264: ok 2794 264: ok 2795 264: ok 2796 264: ok 2797 264: ok 2798 264: ok 2799 264: ok 2800 264: ok 2801 264: ok 2802 264: ok 2803 264: ok 2804 264: ok 2805 264: ok 2806 264: ok 2807 264: ok 2808 264: ok 2809 264: ok 2810 264: ok 2811 264: ok 2812 264: ok 2813 264: ok 2814 264: ok 2815 264: ok 2816 264: ok 2817 264: ok 2818 264: ok 2819 264: ok 2820 264: ok 2821 264: ok 2822 264: ok 2823 264: ok 2824 264: ok 2825 264: ok 2826 264: ok 2827 264: ok 2828 264: ok 2829 264: ok 2830 264: ok 2831 264: ok 2832 264: ok 2833 264: ok 2834 264: ok 2835 264: ok 2836 264: ok 2837 264: ok 2838 264: ok 2839 264: ok 2840 264: ok 2841 264: ok 2842 264: ok 2843 264: ok 2844 264: ok 2845 264: ok 2846 264: ok 2847 264: ok 2848 264: ok 2849 264: ok 2850 264: ok 2851 264: ok 2852 264: ok 2853 264: ok 2854 264: ok 2855 264: ok 2856 264: ok 2857 264: ok 2858 264: ok 2859 264: ok 2860 264: ok 2861 264: ok 2862 264: ok 2863 264: ok 2864 264: ok 2865 264: ok 2866 264: ok 2867 264: ok 2868 264: ok 2869 264: ok 2870 264: ok 2871 264: ok 2872 264: ok 2873 264: ok 2874 264: ok 2875 264: ok 2876 264: ok 2877 264: ok 2878 264: ok 2879 264: ok 2880 264: ok 2881 264: ok 2882 264: ok 2883 264: ok 2884 264: ok 2885 264: ok 2886 264: ok 2887 264: ok 2888 264: ok 2889 264: ok 2890 264: ok 2891 264: ok 2892 264: ok 2893 264: ok 2894 264: ok 2895 264: ok 2896 264: ok 2897 264: ok 2898 264: ok 2899 264: ok 2900 264: ok 2901 264: ok 2902 264: ok 2903 264: ok 2904 264: ok 2905 264: ok 2906 264: ok 2907 264: ok 2908 264: ok 2909 264: ok 2910 264: ok 2911 264: ok 2912 264: ok 2913 264: ok 2914 264: ok 2915 264: ok 2916 264: ok 2917 264: ok 2918 264: ok 2919 264: ok 2920 264: ok 2921 264: ok 2922 264: ok 2923 264: ok 2924 264: ok 2925 264: ok 2926 264: ok 2927 264: ok 2928 264: ok 2929 264: ok 2930 264: ok 2931 264: ok 2932 264: ok 2933 264: ok 2934 264: ok 2935 264: ok 2936 264: ok 2937 264: ok 2938 264: ok 2939 264: ok 2940 264: ok 2941 264: ok 2942 264: ok 2943 264: ok 2944 264: ok 2945 264: ok 2946 264: ok 2947 264: ok 2948 264: ok 2949 264: ok 2950 264: ok 2951 264: ok 2952 264: ok 2953 264: ok 2954 264: ok 2955 264: ok 2956 264: ok 2957 264: ok 2958 264: ok 2959 264: ok 2960 264: ok 2961 264: ok 2962 264: ok 2963 264: ok 2964 264: ok 2965 264: ok 2966 264: ok 2967 264: ok 2968 264: ok 2969 264: ok 2970 264: ok 2971 264: ok 2972 264: ok 2973 264: ok 2974 264: ok 2975 264: ok 2976 264: ok 2977 264: ok 2978 264: ok 2979 264: ok 2980 264: ok 2981 264: ok 2982 264: ok 2983 264: ok 2984 264: ok 2985 264: ok 2986 264: ok 2987 264: ok 2988 264: ok 2989 264: ok 2990 264: ok 2991 264: ok 2992 264: ok 2993 264: ok 2994 264: ok 2995 264: ok 2996 264: ok 2997 264: ok 2998 264: ok 2999 264: ok 3000 264: ok 3001 264: ok 3002 264: ok 3003 264: ok 3004 264: ok 3005 264: ok 3006 264: ok 3007 264: ok 3008 264: ok 3009 264: ok 3010 264: ok 3011 264: ok 3012 264: ok 3013 264: ok 3014 264: ok 3015 264: ok 3016 264: ok 3017 264: ok 3018 264: ok 3019 264: ok 3020 264: ok 3021 264: ok 3022 264: ok 3023 264: ok 3024 264: ok 3025 264: ok 3026 264: ok 3027 264: ok 3028 264: ok 3029 264: ok 3030 264: ok 3031 264: ok 3032 264: ok 3033 264: ok 3034 264: ok 3035 264: ok 3036 264: ok 3037 264: ok 3038 264: ok 3039 264: ok 3040 264: ok 3041 264: ok 3042 264: ok 3043 264: ok 3044 264: ok 3045 264: ok 3046 264: ok 3047 264: ok 3048 264: ok 3049 264: ok 3050 264: ok 3051 264: ok 3052 264: ok 3053 264: ok 3054 264: ok 3055 264: ok 3056 264: ok 3057 264: ok 3058 264: ok 3059 264: ok 3060 264: ok 3061 264: ok 3062 264: ok 3063 264: ok 3064 264: ok 3065 264: ok 3066 264: ok 3067 264: ok 3068 264: ok 3069 264: ok 3070 264: ok 3071 264: ok 3072 264: ok 3073 264: ok 3074 264: ok 3075 264: ok 3076 264: ok 3077 264: ok 3078 264: ok 3079 264: ok 3080 264: ok 3081 264: ok 3082 264: ok 3083 264: ok 3084 264: ok 3085 264: ok 3086 264: ok 3087 264: ok 3088 264: ok 3089 264: ok 3090 264: ok 3091 264: ok 3092 264: ok 3093 264: ok 3094 264: ok 3095 264: ok 3096 264: ok 3097 264: ok 3098 264: ok 3099 264: ok 3100 264: ok 3101 264: ok 3102 264: ok 3103 264: ok 3104 264: ok 3105 264: ok 3106 264: ok 3107 264: ok 3108 264: ok 3109 264: ok 3110 264: ok 3111 264: ok 3112 264: ok 3113 264: ok 3114 264: ok 3115 264: ok 3116 264: ok 3117 264: ok 3118 264: ok 3119 264: ok 3120 264: ok 3121 264: ok 3122 264: ok 3123 264: ok 3124 264: ok 3125 264: ok 3126 264: ok 3127 264: ok 3128 264: ok 3129 264: ok 3130 264: ok 3131 264: ok 3132 264: ok 3133 264: ok 3134 264: ok 3135 264: ok 3136 264: ok 3137 264: ok 3138 264: ok 3139 264: ok 3140 264: ok 3141 264: ok 3142 264: ok 3143 264: ok 3144 264: ok 3145 264: ok 3146 264: ok 3147 264: ok 3148 264: ok 3149 264: ok 3150 264: ok 3151 264: ok 3152 264: ok 3153 264: ok 3154 264: ok 3155 264: ok 3156 264: ok 3157 264: ok 3158 264: ok 3159 264: ok 3160 264: ok 3161 264: ok 3162 264: ok 3163 264: ok 3164 264: ok 3165 264: ok 3166 264: ok 3167 264: ok 3168 264: ok 3169 264: ok 3170 264: ok 3171 264: ok 3172 264: ok 3173 264: ok 3174 264: ok 3175 264: ok 3176 264: ok 3177 264: ok 3178 264: ok 3179 264: ok 3180 264: ok 3181 264: ok 3182 264: ok 3183 264: ok 3184 264: ok 3185 264: ok 3186 264: ok 3187 264: ok 3188 264: ok 3189 264: ok 3190 264: ok 3191 264: ok 3192 264: ok 3193 264: ok 3194 264: ok 3195 264: ok 3196 264: ok 3197 264: ok 3198 264: ok 3199 264: ok 3200 264: ok 3201 264: ok 3202 264: ok 3203 264: ok 3204 264: ok 3205 264: ok 3206 264: ok 3207 264: ok 3208 264: ok 3209 264: ok 3210 264: ok 3211 264: ok 3212 264: ok 3213 264: ok 3214 264: ok 3215 264: ok 3216 264: ok 3217 264: ok 3218 264: ok 3219 264: ok 3220 264: ok 3221 264: ok 3222 264: ok 3223 264: ok 3224 264: ok 3225 264: ok 3226 264: ok 3227 264: ok 3228 264: ok 3229 264: ok 3230 264: ok 3231 264: ok 3232 264: ok 3233 264: ok 3234 264: ok 3235 264: ok 3236 264: ok 3237 264: ok 3238 264: ok 3239 264: ok 3240 264: ok 3241 264: ok 3242 264: ok 3243 264: ok 3244 264: ok 3245 264: ok 3246 264: ok 3247 264: ok 3248 264: ok 3249 264: ok 3250 264: ok 3251 264: ok 3252 264: ok 3253 264: ok 3254 264: ok 3255 264: ok 3256 264: ok 3257 264: ok 3258 264: ok 3259 264: ok 3260 264: ok 3261 264: ok 3262 264: ok 3263 264: ok 3264 264: ok 3265 264: ok 3266 264: ok 3267 264: ok 3268 264: ok 3269 264: ok 3270 264: ok 3271 264: ok 3272 264: ok 3273 264: ok 3274 264: ok 3275 264: ok 3276 264: ok 3277 264: ok 3278 264: ok 3279 264: ok 3280 264: ok 3281 264: ok 3282 264: ok 3283 264: ok 3284 264: ok 3285 264: ok 3286 264: ok 3287 264: ok 3288 264: ok 3289 264: ok 3290 264: ok 3291 264: ok 3292 264: ok 3293 264: ok 3294 264: ok 3295 264: ok 3296 264: ok 3297 264: ok 3298 264: ok 3299 264: ok 3300 264: ok 3301 264: ok 3302 264: ok 3303 264: ok 3304 264: ok 3305 264: ok 3306 264: ok 3307 264: ok 3308 264: ok 3309 264: ok 3310 264: ok 3311 264: ok 3312 264: ok 3313 264: ok 3314 264: ok 3315 264: ok 3316 264: ok 3317 264: ok 3318 264: ok 3319 264: ok 3320 264: ok 3321 264: ok 3322 264: ok 3323 264: ok 3324 264: ok 3325 264: ok 3326 264: ok 3327 264: ok 3328 264: ok 3329 264: ok 3330 264: ok 3331 264: ok 3332 264: ok 3333 264: ok 3334 264: ok 3335 264: ok 3336 264: ok 3337 264: ok 3338 264: ok 3339 264: ok 3340 264: ok 3341 264: ok 3342 264: ok 3343 264: ok 3344 264: ok 3345 264: ok 3346 264: ok 3347 264: ok 3348 264: ok 3349 264: ok 3350 264: ok 3351 264: ok 3352 264: ok 3353 264: ok 3354 264: ok 3355 264: ok 3356 264: ok 3357 264: ok 3358 264: ok 3359 264: ok 3360 264: ok 3361 264: ok 3362 264: ok 3363 264: ok 3364 264: ok 3365 264: ok 3366 264: ok 3367 264: ok 3368 264: ok 3369 264: ok 3370 264: ok 3371 264: ok 3372 264: ok 3373 264: ok 3374 264: ok 3375 264: ok 3376 264: ok 3377 264: ok 3378 264: ok 3379 264: ok 3380 264: ok 3381 264: ok 3382 264: ok 3383 264: ok 3384 264: ok 3385 264: ok 3386 264: ok 3387 264: ok 3388 264: ok 3389 264: ok 3390 264: ok 3391 264: ok 3392 264: ok 3393 264: ok 3394 264: ok 3395 264: ok 3396 264: ok 3397 264: ok 3398 264: ok 3399 264: ok 3400 264: ok 3401 264: ok 3402 264: ok 3403 264: ok 3404 264: ok 3405 264: ok 3406 264: ok 3407 264: ok 3408 264: ok 3409 264: ok 3410 264: ok 3411 264: ok 3412 264: ok 3413 264: ok 3414 264: ok 3415 264: ok 3416 264: ok 3417 264: ok 3418 264: ok 3419 264: ok 3420 264: ok 3421 264: ok 3422 264: ok 3423 264: ok 3424 264: ok 3425 264: ok 3426 264: ok 3427 264: ok 3428 264: ok 3429 264: ok 3430 264: ok 3431 264: ok 3432 264: ok 3433 264: ok 3434 264: ok 3435 264: ok 3436 264: ok 3437 264: ok 3438 264: ok 3439 264: ok 3440 264: ok 3441 264: ok 3442 264: ok 3443 264: ok 3444 264: ok 3445 264: ok 3446 264: ok 3447 264: ok 3448 264: ok 3449 264: ok 3450 264: ok 3451 264: ok 3452 264: ok 3453 264: ok 3454 264: ok 3455 264: ok 3456 264: ok 3457 264: ok 3458 264: ok 3459 264: ok 3460 264: ok 3461 264: ok 3462 264: ok 3463 264: ok 3464 264: ok 3465 264: ok 3466 264: ok 3467 264: ok 3468 264: ok 3469 264: ok 3470 264: ok 3471 264: ok 3472 264: ok 3473 264: ok 3474 264: ok 3475 264: ok 3476 264: ok 3477 264: ok 3478 264: ok 3479 264: ok 3480 264: ok 3481 264: ok 3482 264: ok 3483 264: ok 3484 264: ok 3485 264: ok 3486 264: ok 3487 264: ok 3488 264: ok 3489 264: ok 3490 264: ok 3491 264: ok 3492 264: ok 3493 264: ok 3494 264: ok 3495 264: ok 3496 264: ok 3497 264: ok 3498 264: ok 3499 264: ok 3500 264: ok 3501 264: ok 3502 264: ok 3503 264: ok 3504 264: ok 3505 264: ok 3506 264: ok 3507 264: ok 3508 264: ok 3509 264: ok 3510 264: ok 3511 264: ok 3512 264: ok 3513 264: ok 3514 264: ok 3515 264: ok 3516 264: ok 3517 264: ok 3518 264: ok 3519 264: ok 3520 264: ok 3521 264: ok 3522 264: ok 3523 264: ok 3524 264: ok 3525 264: ok 3526 264: ok 3527 264: ok 3528 264: ok 3529 264: ok 3530 264: ok 3531 264: ok 3532 264: ok 3533 264: ok 3534 264: ok 3535 264: ok 3536 264: ok 3537 264: ok 3538 264: ok 3539 264: ok 3540 264: ok 3541 264: ok 3542 264: ok 3543 264: ok 3544 264: ok 3545 264: ok 3546 264: ok 3547 264: ok 3548 264: ok 3549 264: ok 3550 264: ok 3551 264: ok 3552 264: ok 3553 264: ok 3554 264: ok 3555 264: ok 3556 264: ok 3557 264: ok 3558 264: ok 3559 264: ok 3560 264: ok 3561 264: ok 3562 264: ok 3563 264: ok 3564 264: ok 3565 264: ok 3566 264: ok 3567 264: ok 3568 264: ok 3569 264: ok 3570 264: ok 3571 264: ok 3572 264: ok 3573 264: ok 3574 264: ok 3575 264: ok 3576 264: ok 3577 264: ok 3578 264: ok 3579 264: ok 3580 264: ok 3581 264: ok 3582 264: ok 3583 264: ok 3584 264: ok 3585 264: ok 3586 264: ok 3587 264: ok 3588 264: ok 3589 264: ok 3590 264: ok 3591 264: ok 3592 264: ok 3593 264: ok 3594 264: ok 3595 264: ok 3596 264: ok 3597 264: ok 3598 264: ok 3599 264: ok 3600 264: ok 3601 264: ok 3602 264: ok 3603 264: ok 3604 264: ok 3605 264: ok 3606 264: ok 3607 264: ok 3608 264: ok 3609 264: ok 3610 264: ok 3611 264: ok 3612 264: ok 3613 264: ok 3614 264: ok 3615 264: ok 3616 264: ok 3617 264: ok 3618 264: ok 3619 264: ok 3620 264: ok 3621 264: ok 3622 264: ok 3623 264: ok 3624 264: ok 3625 264: ok 3626 264: ok 3627 264: ok 3628 264: ok 3629 264: ok 3630 264: ok 3631 264: ok 3632 264: ok 3633 264: ok 3634 264: ok 3635 264: ok 3636 264: ok 3637 264: ok 3638 264: ok 3639 264: ok 3640 264: ok 3641 264: ok 3642 264: ok 3643 264: ok 3644 264: ok 3645 264: ok 3646 264: ok 3647 264: ok 3648 264: ok 3649 264: ok 3650 264: ok 3651 264: ok 3652 264: ok 3653 264: ok 3654 264: ok 3655 264: ok 3656 264: ok 3657 264: ok 3658 264: ok 3659 264: ok 3660 264: ok 3661 264: ok 3662 264: ok 3663 264: ok 3664 264: ok 3665 264: ok 3666 264: ok 3667 264: ok 3668 264: ok 3669 264: ok 3670 264: ok 3671 264: ok 3672 264: ok 3673 264: ok 3674 264: ok 3675 264: ok 3676 264: ok 3677 264: ok 3678 264: ok 3679 264: ok 3680 264: ok 3681 264: ok 3682 264: ok 3683 264: ok 3684 264: ok 3685 264: ok 3686 264: ok 3687 264: ok 3688 264: ok 3689 264: ok 3690 264: ok 3691 264: ok 3692 264: ok 3693 264: ok 3694 264: ok 3695 264: ok 3696 264: ok 3697 264: ok 3698 264: ok 3699 264: ok 3700 264: ok 3701 264: ok 3702 264: ok 3703 264: ok 3704 264: ok 3705 264: ok 3706 264: ok 3707 264: ok 3708 264: ok 3709 264: ok 3710 264: ok 3711 264: ok 3712 264: ok 3713 264: ok 3714 264: ok 3715 264: ok 3716 264: ok 3717 264: ok 3718 264: ok 3719 264: ok 3720 264: ok 3721 264: ok 3722 264: ok 3723 264: ok 3724 264: ok 3725 264: ok 3726 264: ok 3727 264: ok 3728 264: ok 3729 264: ok 3730 264: ok 3731 264: ok 3732 264: ok 3733 264: ok 3734 264: ok 3735 264: ok 3736 264: ok 3737 264: ok 3738 264: ok 3739 264: ok 3740 264: ok 3741 264: ok 3742 264: ok 3743 264: ok 3744 264: ok 3745 264: ok 3746 264: ok 3747 264: ok 3748 264: ok 3749 264: ok 3750 264: ok 3751 264: ok 3752 264: ok 3753 264: ok 3754 264: ok 3755 264: ok 3756 264: ok 3757 264: ok 3758 264: ok 3759 264: ok 3760 264: ok 3761 264: ok 3762 264: ok 3763 264: ok 3764 264: ok 3765 264: ok 3766 264: ok 3767 264: ok 3768 264: ok 3769 264: ok 3770 264: ok 3771 264: ok 3772 264: ok 3773 264: ok 3774 264: ok 3775 264: ok 3776 264: ok 3777 264: ok 3778 264: ok 3779 264: ok 3780 264: ok 3781 264: ok 3782 264: ok 3783 264: ok 3784 264: ok 3785 264: ok 3786 264: ok 3787 264: ok 3788 264: ok 3789 264: ok 3790 264: ok 3791 264: ok 3792 264: ok 3793 264: ok 3794 264: ok 3795 264: ok 3796 264: ok 3797 264: ok 3798 264: ok 3799 264: ok 3800 264: ok 3801 264: ok 3802 264: ok 3803 264: ok 3804 264: ok 3805 264: ok 3806 264: ok 3807 264: ok 3808 264: ok 3809 264: ok 3810 264: ok 3811 264: ok 3812 264: ok 3813 264: ok 3814 264: ok 3815 264: ok 3816 264: ok 3817 264: ok 3818 264: ok 3819 264: ok 3820 264: ok 3821 264: ok 3822 264: ok 3823 264: ok 3824 264: ok 3825 264: ok 3826 264: ok 3827 264: ok 3828 264: ok 3829 264: ok 3830 264: ok 3831 264: ok 3832 264: ok 3833 264: ok 3834 264: ok 3835 264: ok 3836 264: ok 3837 264: ok 3838 264: ok 3839 264: ok 3840 264: ok 3841 264: ok 3842 264: ok 3843 264: ok 3844 264: ok 3845 264: ok 3846 264: ok 3847 264: ok 3848 264: ok 3849 264: ok 3850 264: ok 3851 264: ok 3852 264: ok 3853 264: ok 3854 264: ok 3855 264: ok 3856 264: ok 3857 264: ok 3858 264: ok 3859 264: ok 3860 264: ok 3861 264: ok 3862 264: ok 3863 264: ok 3864 264: ok 3865 264: ok 3866 264: ok 3867 264: ok 3868 264: ok 3869 264: ok 3870 264: ok 3871 264: ok 3872 264: ok 3873 264: ok 3874 264: ok 3875 264: ok 3876 264: ok 3877 264: ok 3878 264: ok 3879 264: ok 3880 264: ok 3881 264: ok 3882 264: ok 3883 264: ok 3884 264: ok 3885 264: ok 3886 264: ok 3887 264: ok 3888 264: ok 3889 264: ok 3890 264: ok 3891 264: ok 3892 264: ok 3893 264: ok 3894 264: ok 3895 264: ok 3896 264: ok 3897 264: ok 3898 264: ok 3899 264: ok 3900 264: ok 3901 264: ok 3902 264: ok 3903 264: ok 3904 264: ok 3905 264: ok 3906 264: ok 3907 264: ok 3908 264: ok 3909 264: ok 3910 264: ok 3911 264: ok 3912 264: ok 3913 264: ok 3914 264: ok 3915 264: ok 3916 264: ok 3917 264: ok 3918 264: ok 3919 264: ok 3920 264: ok 3921 264: ok 3922 264: ok 3923 264: ok 3924 264: ok 3925 264: ok 3926 264: ok 3927 264: ok 3928 264: ok 3929 264: ok 3930 264: ok 3931 264: ok 3932 264: ok 3933 264: ok 3934 264: ok 3935 264: ok 3936 264: ok 3937 264: ok 3938 264: ok 3939 264: ok 3940 264: ok 3941 264: ok 3942 264: ok 3943 264: ok 3944 264: ok 3945 264: ok 3946 264: ok 3947 264: ok 3948 264: ok 3949 264: ok 3950 264: ok 3951 264: ok 3952 264: ok 3953 264: ok 3954 264: ok 3955 264: ok 3956 264: ok 3957 264: ok 3958 264: ok 3959 264: ok 3960 264: ok 3961 264: ok 3962 264: ok 3963 264: ok 3964 264: ok 3965 264: ok 3966 264: ok 3967 264: ok 3968 264: ok 3969 264: ok 3970 264: ok 3971 264: ok 3972 264: ok 3973 264: ok 3974 264: ok 3975 264: ok 3976 264: ok 3977 264: ok 3978 264: ok 3979 264: ok 3980 264: ok 3981 264: ok 3982 264: ok 3983 264: ok 3984 264: ok 3985 264: ok 3986 264: ok 3987 264: ok 3988 264: ok 3989 264: ok 3990 264: ok 3991 264: ok 3992 264: ok 3993 264: ok 3994 264: ok 3995 264: ok 3996 264: ok 3997 264: ok 3998 264: ok 3999 264: ok 4000 264: ok 4001 264: ok 4002 264: ok 4003 264: ok 4004 264: ok 4005 264: ok 4006 264: ok 4007 264: ok 4008 264: ok 4009 264: ok 4010 264: ok 4011 264: ok 4012 264: ok 4013 264: ok 4014 264: ok 4015 264: ok 4016 264: ok 4017 264: ok 4018 264: ok 4019 264: ok 4020 264: ok 4021 264: ok 4022 264: ok 4023 264: ok 4024 264: ok 4025 264: ok 4026 264: ok 4027 264: ok 4028 264: ok 4029 264: ok 4030 264: ok 4031 264: ok 4032 264: ok 4033 264: ok 4034 264: ok 4035 264: ok 4036 264: ok 4037 264: ok 4038 264: ok 4039 264: ok 4040 264: ok 4041 264: ok 4042 264: ok 4043 264: ok 4044 264: ok 4045 264: ok 4046 264: ok 4047 264: ok 4048 264: ok 4049 264: ok 4050 264: ok 4051 264: ok 4052 264: ok 4053 264: ok 4054 264: ok 4055 264: ok 4056 264: ok 4057 264: ok 4058 264: ok 4059 264: ok 4060 264: ok 4061 264: ok 4062 264: ok 4063 264: ok 4064 264: ok 4065 264: ok 4066 264: ok 4067 264: ok 4068 264: ok 4069 264: ok 4070 264: ok 4071 264: ok 4072 264: ok 4073 264: ok 4074 264: ok 4075 264: ok 4076 264: ok 4077 264: ok 4078 264: ok 4079 264: ok 4080 264: ok 4081 264: ok 4082 264: ok 4083 264: ok 4084 264: ok 4085 264: ok 4086 264: ok 4087 264: ok 4088 264: ok 4089 264: ok 4090 264: ok 4091 264: ok 4092 264: ok 4093 264: ok 4094 264: ok 4095 264: ok 4096 264: ok 4097 264: ok 4098 264: ok 4099 264: ok 4100 264: ok 4101 264: ok 4102 264: ok 4103 264: ok 4104 264: ok 4105 264: ok 4106 264: ok 4107 264: ok 4108 264: ok 4109 264: ok 4110 264: ok 4111 264: ok 4112 264: ok 4113 264: ok 4114 264: ok 4115 264: ok 4116 264: ok 4117 264: ok 4118 264: ok 4119 264: ok 4120 264: ok 4121 264: ok 4122 264: ok 4123 264: ok 4124 264: ok 4125 264: ok 4126 264: ok 4127 264: ok 4128 264: ok 4129 264: ok 4130 264: ok 4131 264: ok 4132 264: ok 4133 264: ok 4134 264: ok 4135 264: ok 4136 264: ok 4137 264: ok 4138 264: ok 4139 264: ok 4140 264: ok 4141 264: ok 4142 264: ok 4143 264: ok 4144 264: ok 4145 264: ok 4146 264: ok 4147 264: ok 4148 264: ok 4149 264: ok 4150 264: ok 4151 264: ok 4152 264: ok 4153 264: ok 4154 264: ok 4155 264: ok 4156 264: ok 4157 264: ok 4158 264: ok 4159 264: ok 4160 264: ok 4161 264: ok 4162 264: ok 4163 264: ok 4164 264: ok 4165 264: ok 4166 264: ok 4167 264: ok 4168 264: ok 4169 264: ok 4170 264: ok 4171 264: ok 4172 264: ok 4173 264: ok 4174 264: ok 4175 264: ok 4176 264: ok 4177 264: ok 4178 264: ok 4179 264: ok 4180 264: ok 4181 264: ok 4182 264: ok 4183 264: ok 4184 264: ok 4185 264: ok 4186 264: ok 4187 264: ok 4188 264: ok 4189 264: ok 4190 264: ok 4191 264: ok 4192 264: ok 4193 264: ok 4194 264: ok 4195 264: ok 4196 264: ok 4197 264: ok 4198 264: ok 4199 264: ok 4200 264: ok 4201 264: ok 4202 264: ok 4203 264: ok 4204 264: ok 4205 264: ok 4206 264: ok 4207 264: ok 4208 264: ok 4209 264: ok 4210 264: ok 4211 264: ok 4212 264: ok 4213 264: ok 4214 264: ok 4215 264: ok 4216 264: ok 4217 264: ok 4218 264: ok 4219 264: ok 4220 264: ok 4221 264: ok 4222 264: ok 4223 264: ok 4224 264: ok 4225 264: ok 4226 264: ok 4227 264: ok 4228 264: ok 4229 264: ok 4230 264: ok 4231 264: ok 4232 264: ok 4233 264: ok 4234 264: ok 4235 264: ok 4236 264: ok 4237 264: ok 4238 264: ok 4239 264: ok 4240 264: ok 4241 264: ok 4242 264: ok 4243 264: ok 4244 264: ok 4245 264: ok 4246 264: ok 4247 264: ok 4248 264: ok 4249 264: ok 4250 264: ok 4251 264: ok 4252 264: ok 4253 264: ok 4254 264: ok 4255 264: ok 4256 264: ok 4257 264: ok 4258 264: ok 4259 264: ok 4260 264: ok 4261 264: ok 4262 264: ok 4263 264: ok 4264 264: ok 4265 264: ok 4266 264: ok 4267 264: ok 4268 264: ok 4269 264: ok 4270 264: ok 4271 264: ok 4272 264: ok 4273 264: ok 4274 264: ok 4275 264: ok 4276 264: ok 4277 264: ok 4278 264: ok 4279 264: ok 4280 264: ok 4281 264: ok 4282 264: ok 4283 264: ok 4284 264: ok 4285 264: ok 4286 264: ok 4287 264: ok 4288 264: ok 4289 264: ok 4290 264: ok 4291 264: ok 4292 264: ok 4293 264: ok 4294 264: ok 4295 264: ok 4296 264: ok 4297 264: ok 4298 264: ok 4299 264: ok 4300 264: ok 4301 264: ok 4302 264: ok 4303 264: ok 4304 264: ok 4305 264: ok 4306 264: ok 4307 264: ok 4308 264: ok 4309 264: ok 4310 264: ok 4311 264: ok 4312 264: ok 4313 264: ok 4314 264: ok 4315 264: ok 4316 264: ok 4317 264: ok 4318 264: ok 4319 264: ok 4320 264: ok 4321 264: ok 4322 264: ok 4323 264: ok 4324 264: ok 4325 264: ok 4326 264: ok 4327 264: ok 4328 264: ok 4329 264: ok 4330 264: ok 4331 264: ok 4332 264: ok 4333 264: ok 4334 264: ok 4335 264: ok 4336 264: ok 4337 264: ok 4338 264: ok 4339 264: ok 4340 264: ok 4341 264: ok 4342 264: ok 4343 264: ok 4344 264: ok 4345 264: ok 4346 264: ok 4347 264: ok 4348 264: ok 4349 264: ok 4350 264: ok 4351 264: ok 4352 264: ok 4353 264: ok 4354 264: ok 4355 264: ok 4356 264: ok 4357 264: ok 4358 264: ok 4359 264: ok 4360 264: ok 4361 264: ok 4362 264: ok 4363 264: ok 4364 264: ok 4365 264: ok 4366 264: ok 4367 264: ok 4368 264: ok 4369 264: ok 4370 264: ok 4371 264: ok 4372 264: ok 4373 264: ok 4374 264: ok 4375 264: ok 4376 264: ok 4377 264: ok 4378 264: ok 4379 264: ok 4380 264: ok 4381 264: ok 4382 264: ok 4383 264: ok 4384 264: ok 4385 264: ok 4386 264: ok 4387 264: ok 4388 264: ok 4389 264: ok 4390 264: ok 4391 264: ok 4392 264: ok 4393 264: ok 4394 264: ok 4395 264: ok 4396 264: ok 4397 264: ok 4398 264: ok 4399 264: ok 4400 264: ok 4401 264: ok 4402 264: ok 4403 264: ok 4404 264: ok 4405 264: ok 4406 264: ok 4407 264: ok 4408 264: ok 4409 264: ok 4410 264: ok 4411 264: ok 4412 264: ok 4413 264: ok 4414 264: ok 4415 264: ok 4416 264: ok 4417 264: ok 4418 264: ok 4419 264: ok 4420 264: ok 4421 264: ok 4422 264: ok 4423 264: ok 4424 264: ok 4425 264: ok 4426 264: ok 4427 264: ok 4428 264: ok 4429 264: ok 4430 264: ok 4431 264: ok 4432 264: ok 4433 264: ok 4434 264: ok 4435 264: ok 4436 264: ok 4437 264: ok 4438 264: ok 4439 264: ok 4440 264: ok 4441 264: ok 4442 264: ok 4443 264: ok 4444 264: ok 4445 264: ok 4446 264: ok 4447 264: ok 4448 264: ok 4449 264: ok 4450 264: ok 4451 264: ok 4452 264: ok 4453 264: ok 4454 264: ok 4455 264: ok 4456 264: ok 4457 264: ok 4458 264: ok 4459 264: ok 4460 264: ok 4461 264: ok 4462 264: ok 4463 264: ok 4464 264: ok 4465 264: ok 4466 264: ok 4467 264: ok 4468 264: ok 4469 264: ok 4470 264: ok 4471 264: ok 4472 264: ok 4473 264: ok 4474 264: ok 4475 264: ok 4476 264: ok 4477 264: ok 4478 264: ok 4479 264: ok 4480 264: ok 4481 264: ok 4482 264: ok 4483 264: ok 4484 264: ok 4485 264: ok 4486 264: ok 4487 264: ok 4488 264: ok 4489 264: ok 4490 264: ok 4491 264: ok 4492 264: ok 4493 264: ok 4494 264: ok 4495 264: ok 4496 264: ok 4497 264: ok 4498 264: ok 4499 264: ok 4500 264: ok 4501 264: ok 4502 264: ok 4503 264: ok 4504 264: ok 4505 264: ok 4506 264: ok 4507 264: ok 4508 264: ok 4509 264: ok 4510 264: ok 4511 264: ok 4512 264: ok 4513 264: ok 4514 264: ok 4515 264: ok 4516 264: ok 4517 264: ok 4518 264: ok 4519 264: ok 4520 264: ok 4521 264: ok 4522 264: ok 4523 264: ok 4524 264: ok 4525 264: ok 4526 264: ok 4527 264: ok 4528 264: ok 4529 264: ok 4530 264: ok 4531 264: ok 4532 264: ok 4533 264: ok 4534 264: ok 4535 264: ok 4536 264: ok 4537 264: ok 4538 264: ok 4539 264: ok 4540 264: ok 4541 264: ok 4542 264: ok 4543 264: ok 4544 264: ok 4545 264: ok 4546 264: ok 4547 264: ok 4548 264: ok 4549 264: ok 4550 264: ok 4551 264: ok 4552 264: ok 4553 264: ok 4554 264: ok 4555 264: ok 4556 264: ok 4557 264: ok 4558 264: ok 4559 264: ok 4560 264: ok 4561 264: ok 4562 264: ok 4563 264: ok 4564 264: ok 4565 264: ok 4566 264: ok 4567 264: ok 4568 264: ok 4569 264: ok 4570 264: ok 4571 264: ok 4572 264: ok 4573 264: ok 4574 264: ok 4575 264: ok 4576 264: ok 4577 264: ok 4578 264: ok 4579 264: ok 4580 264: ok 4581 264: ok 4582 264: ok 4583 264: ok 4584 264: ok 4585 264: ok 4586 264: ok 4587 264: ok 4588 264: ok 4589 264: ok 4590 264: ok 4591 264: ok 4592 264: ok 4593 264: ok 4594 264: ok 4595 264: ok 4596 264: ok 4597 264: ok 4598 264: ok 4599 264: ok 4600 264: ok 4601 264: ok 4602 264: ok 4603 264: ok 4604 264: ok 4605 264: ok 4606 264: ok 4607 264: ok 4608 264: ok 4609 264: ok 4610 264: ok 4611 264: ok 4612 264: ok 4613 264: ok 4614 264: ok 4615 264: ok 4616 264: ok 4617 264: ok 4618 264: ok 4619 264: ok 4620 264: ok 4621 264: ok 4622 264: ok 4623 264: ok 4624 264: ok 4625 264: ok 4626 264: ok 4627 264: ok 4628 264: ok 4629 264: ok 4630 264: ok 4631 264: ok 4632 264: ok 4633 264: ok 4634 264: ok 4635 264: ok 4636 264: ok 4637 264: ok 4638 264: ok 4639 264: ok 4640 264: ok 4641 264: ok 4642 264: ok 4643 264: ok 4644 264: ok 4645 264: ok 4646 264: ok 4647 264: ok 4648 264: ok 4649 264: ok 4650 264: ok 4651 264: ok 4652 264: ok 4653 264: ok 4654 264: ok 4655 264: ok 4656 264: ok 4657 264: ok 4658 264: ok 4659 264: ok 4660 264: ok 4661 264: ok 4662 264: ok 4663 264: ok 4664 264: ok 4665 264: ok 4666 264: ok 4667 264: ok 4668 264: ok 4669 264: ok 4670 264: ok 4671 264: ok 4672 264: ok 4673 264: ok 4674 264: ok 4675 264: ok 4676 264: ok 4677 264: ok 4678 264: ok 4679 264: ok 4680 264: ok 4681 264: ok 4682 264: ok 4683 264: ok 4684 264: ok 4685 264: ok 4686 264: ok 4687 264: ok 4688 264: ok 4689 264: ok 4690 264: ok 4691 264: ok 4692 264: ok 4693 264: ok 4694 264: ok 4695 264: ok 4696 264: ok 4697 264: ok 4698 264: ok 4699 264: ok 4700 264: ok 4701 264: ok 4702 264: ok 4703 264: ok 4704 264: ok 4705 264: ok 4706 264: ok 4707 264: ok 4708 264: ok 4709 264: ok 4710 264: ok 4711 264: ok 4712 264: ok 4713 264: ok 4714 264: ok 4715 264: ok 4716 264: ok 4717 264: ok 4718 264: ok 4719 264: ok 4720 264: ok 4721 264: ok 4722 264: ok 4723 264: ok 4724 264: ok 4725 264: ok 4726 264: ok 4727 264: ok 4728 264: ok 4729 264: ok 4730 264: ok 4731 264: ok 4732 264: ok 4733 264: ok 4734 264: ok 4735 264: ok 4736 264: ok 4737 264: ok 4738 264: ok 4739 264: ok 4740 264: ok 4741 264: ok 4742 264: ok 4743 264: ok 4744 264: ok 4745 264: ok 4746 264: ok 4747 264: ok 4748 264: ok 4749 264: ok 4750 264: ok 4751 264: ok 4752 264: ok 4753 264: ok 4754 264: ok 4755 264: ok 4756 264: ok 4757 264: ok 4758 264: ok 4759 264: ok 4760 264: ok 4761 264: ok 4762 264: ok 4763 264: ok 4764 264: ok 4765 264: ok 4766 264: ok 4767 264: ok 4768 264: ok 4769 264: ok 4770 264: ok 4771 264: ok 4772 264: ok 4773 264: ok 4774 264: ok 4775 264: ok 4776 264: ok 4777 264: ok 4778 264: ok 4779 264: ok 4780 264: ok 4781 264: ok 4782 264: ok 4783 264: ok 4784 264: ok 4785 264: ok 4786 264: ok 4787 264: ok 4788 264: ok 4789 264: ok 4790 264: ok 4791 264: ok 4792 264: ok 4793 264: ok 4794 264: ok 4795 264: ok 4796 264: ok 4797 264: ok 4798 264: ok 4799 264: ok 4800 264: ok 4801 264: ok 4802 264: ok 4803 264: ok 4804 264: ok 4805 264: ok 4806 264: ok 4807 264: ok 4808 264: ok 4809 264: ok 4810 264: ok 4811 264: ok 4812 264: ok 4813 264: ok 4814 264: ok 4815 264: ok 4816 264: ok 4817 264: ok 4818 264: ok 4819 264: ok 4820 264: ok 4821 264: ok 4822 264: ok 4823 264: ok 4824 264: ok 4825 264: ok 4826 264: ok 4827 264: ok 4828 264: ok 4829 264: ok 4830 264: ok 4831 264: ok 4832 264: ok 4833 264: ok 4834 264: ok 4835 264: ok 4836 264: ok 4837 264: ok 4838 264: ok 4839 264: ok 4840 264: ok 4841 264: ok 4842 264: ok 4843 264: ok 4844 264: ok 4845 264: ok 4846 264: ok 4847 264: ok 4848 264: ok 4849 264: ok 4850 264: ok 4851 264: ok 4852 264: ok 4853 264: ok 4854 264: ok 4855 264: ok 4856 264: ok 4857 264: ok 4858 264: ok 4859 264: ok 4860 264: ok 4861 264: ok 4862 264: ok 4863 264: ok 4864 264: ok 4865 264: ok 4866 264: ok 4867 264: ok 4868 264: ok 4869 264: ok 4870 264: ok 4871 264: ok 4872 264: ok 4873 264: ok 4874 264: ok 4875 264: ok 4876 264: ok 4877 264: ok 4878 264: ok 4879 264: ok 4880 264: ok 4881 264: ok 4882 264: ok 4883 264: ok 4884 264: ok 4885 264: ok 4886 264: ok 4887 264: ok 4888 264: ok 4889 264: ok 4890 264: ok 4891 264: ok 4892 264: ok 4893 264: ok 4894 264: ok 4895 264: ok 4896 264: ok 4897 264: ok 4898 264: ok 4899 264: ok 4900 264: ok 4901 264: ok 4902 264: ok 4903 264: ok 4904 264: ok 4905 264: ok 4906 264: ok 4907 264: ok 4908 264: ok 4909 264: ok 4910 264: ok 4911 264: ok 4912 264: ok 4913 264: ok 4914 264: ok 4915 264: ok 4916 264: ok 4917 264: ok 4918 264: ok 4919 264: ok 4920 264: ok 4921 264: ok 4922 264: ok 4923 264: ok 4924 264: ok 4925 264: ok 4926 264: ok 4927 264: ok 4928 264: ok 4929 264: ok 4930 264: ok 4931 264: ok 4932 264: ok 4933 264: ok 4934 264: ok 4935 264: ok 4936 264: ok 4937 264: ok 4938 264: ok 4939 264: ok 4940 264: ok 4941 264: ok 4942 264: ok 4943 264: ok 4944 264: ok 4945 264: ok 4946 264: ok 4947 264: ok 4948 264: ok 4949 264: ok 4950 264: ok 4951 264: ok 4952 264: ok 4953 264: ok 4954 264: ok 4955 264: ok 4956 264: ok 4957 264: ok 4958 264: ok 4959 264: ok 4960 264: ok 4961 264: ok 4962 264: ok 4963 264: ok 4964 264: ok 4965 264: ok 4966 264: ok 4967 264: ok 4968 264: ok 4969 264: ok 4970 264: ok 4971 264: ok 4972 264: ok 4973 264: ok 4974 264: ok 4975 264: ok 4976 264: ok 4977 264: ok 4978 264: ok 4979 264: ok 4980 264: ok 4981 264: ok 4982 264: ok 4983 264: ok 4984 264: ok 4985 264: ok 4986 264: ok 4987 264: ok 4988 264: ok 4989 264: ok 4990 264: ok 4991 264: ok 4992 264: ok 4993 264: ok 4994 264: ok 4995 264: ok 4996 264: ok 4997 264: ok 4998 264: ok 4999 264: ok 5000 264: ok 5001 264: ok 5002 264: ok 5003 264: ok 5004 264: ok 5005 264: ok 5006 264: ok 5007 264: ok 5008 264: ok 5009 264: ok 5010 264: ok 5011 264: ok 5012 264: ok 5013 264: ok 5014 264: ok 5015 264: ok 5016 264: ok 5017 264: ok 5018 264: ok 5019 264: ok 5020 264: ok 5021 264: ok 5022 264: ok 5023 264: ok 5024 264: ok 5025 264: ok 5026 264: ok 5027 264: ok 5028 264: ok 5029 264: ok 5030 264: ok 5031 264: ok 5032 264: ok 5033 264: ok 5034 264: ok 5035 264: ok 5036 264: ok 5037 264: ok 5038 264: ok 5039 264: ok 5040 264: ok 5041 264: ok 5042 264: ok 5043 264: ok 5044 264: ok 5045 264: ok 5046 264: ok 5047 264: ok 5048 264: ok 5049 264: ok 5050 264: ok 5051 264: ok 5052 264: ok 5053 264: ok 5054 264: ok 5055 264: ok 5056 264: ok 5057 264: ok 5058 264: ok 5059 264: ok 5060 264: ok 5061 264: ok 5062 264: ok 5063 264: ok 5064 264: ok 5065 264: ok 5066 264: ok 5067 264: ok 5068 264: ok 5069 264: ok 5070 264: ok 5071 264: ok 5072 264: ok 5073 264: ok 5074 264: ok 5075 264: ok 5076 264: ok 5077 264: ok 5078 264: ok 5079 264: ok 5080 264: ok 5081 264: ok 5082 264: ok 5083 264: ok 5084 264: ok 5085 264: ok 5086 264: ok 5087 264: ok 5088 264: ok 5089 264: ok 5090 264: ok 5091 264: ok 5092 264: ok 5093 264: ok 5094 264: ok 5095 264: ok 5096 264: ok 5097 264: ok 5098 264: ok 5099 264: ok 5100 264: ok 5101 264: ok 5102 264: ok 5103 264: ok 5104 264: ok 5105 264: ok 5106 264: ok 5107 264: ok 5108 264: ok 5109 264: ok 5110 264: ok 5111 264: ok 5112 264: ok 5113 264: ok 5114 264: ok 5115 264: ok 5116 264: ok 5117 264: ok 5118 264: ok 5119 264: ok 5120 264: ok 5121 264: ok 5122 264: ok 5123 264: ok 5124 264: ok 5125 264: ok 5126 264: ok 5127 264: ok 5128 264: ok 5129 264: ok 5130 264: ok 5131 264: ok 5132 264: ok 5133 264: ok 5134 264: ok 5135 264: ok 5136 264: ok 5137 264: ok 5138 264: ok 5139 264: ok 5140 264: ok 5141 264: ok 5142 264: ok 5143 264: ok 5144 264: ok 5145 264: ok 5146 264: ok 5147 264: ok 5148 264: ok 5149 264: ok 5150 264: ok 5151 264: ok 5152 264: ok 5153 264: ok 5154 264: ok 5155 264: ok 5156 264: ok 5157 264: ok 5158 264: ok 5159 264: ok 5160 264: ok 5161 264: ok 5162 264: ok 5163 264: ok 5164 264: ok 5165 264: ok 5166 264: ok 5167 264: ok 5168 264: ok 5169 264: ok 5170 264: ok 5171 264: ok 5172 264: ok 5173 264: ok 5174 264: ok 5175 264: ok 5176 264: ok 5177 264: ok 5178 264: ok 5179 264: ok 5180 264: ok 5181 264: ok 5182 264: ok 5183 264: ok 5184 264: ok 5185 264: ok 5186 264: ok 5187 264: ok 5188 264: ok 5189 264: ok 5190 264: ok 5191 264: ok 5192 264: ok 5193 264: ok 5194 264: ok 5195 264: ok 5196 264: ok 5197 264: ok 5198 264: ok 5199 264: ok 5200 264: ok 5201 264: ok 5202 264: ok 5203 264: ok 5204 264: ok 5205 264: ok 5206 264: ok 5207 264: ok 5208 264: ok 5209 264: ok 5210 264: ok 5211 264: ok 5212 264: ok 5213 264: ok 5214 264: ok 5215 264: ok 5216 264: ok 5217 264: ok 5218 264: ok 5219 264: ok 5220 264: ok 5221 264: ok 5222 264: ok 5223 264: ok 5224 264: ok 5225 264: ok 5226 264: ok 5227 264: ok 5228 264: ok 5229 264: ok 5230 264: ok 5231 264: ok 5232 264: ok 5233 264: ok 5234 264: ok 5235 264: ok 5236 264: ok 5237 264: ok 5238 264: ok 5239 264: ok 5240 264: ok 5241 264: ok 5242 264: ok 5243 264: ok 5244 264: ok 5245 264: ok 5246 264: ok 5247 264: ok 5248 264: ok 5249 264: ok 5250 264: ok 5251 264: ok 5252 264: ok 5253 264: ok 5254 264: ok 5255 264: ok 5256 264: ok 5257 264: ok 5258 264: ok 5259 264: ok 5260 264: ok 5261 264: ok 5262 264: ok 5263 264: ok 5264 264: ok 5265 264: ok 5266 264: ok 5267 264: ok 5268 264: ok 5269 264: ok 5270 264: ok 5271 264: ok 5272 264: ok 5273 264: ok 5274 264: ok 5275 264: ok 5276 264: ok 5277 264: ok 5278 264: ok 5279 264: ok 5280 264: ok 5281 264: ok 5282 264: ok 5283 264: ok 5284 264: ok 5285 264: ok 5286 264: ok 5287 264: ok 5288 264: ok 5289 264: ok 5290 264: ok 5291 264: ok 5292 264: ok 5293 264: ok 5294 264: ok 5295 264: ok 5296 264: ok 5297 264: ok 5298 264: ok 5299 264: ok 5300 264: ok 5301 264: ok 5302 264: ok 5303 264: ok 5304 264: ok 5305 264: ok 5306 264: ok 5307 264: ok 5308 264: ok 5309 264: ok 5310 264: ok 5311 264: ok 5312 264: ok 5313 264: ok 5314 264: ok 5315 264: ok 5316 264: ok 5317 264: ok 5318 264: ok 5319 264: ok 5320 264: ok 5321 264: ok 5322 264: ok 5323 264: ok 5324 264: ok 5325 264: ok 5326 264: ok 5327 264: ok 5328 264: ok 5329 264: ok 5330 264: ok 5331 264: ok 5332 264: ok 5333 264: ok 5334 264: ok 5335 264: ok 5336 264: ok 5337 264: ok 5338 264: ok 5339 264: ok 5340 264: ok 5341 264: ok 5342 264: ok 5343 264: ok 5344 264: ok 5345 264: ok 5346 264: ok 5347 264: ok 5348 264: ok 5349 264: ok 5350 264: ok 5351 264: ok 5352 264: ok 5353 264: ok 5354 264: ok 5355 264: ok 5356 264: ok 5357 264: ok 5358 264: ok 5359 264: ok 5360 264: ok 5361 264: ok 5362 264: ok 5363 264: ok 5364 264: ok 5365 264: ok 5366 264: ok 5367 264: ok 5368 264: ok 5369 264: ok 5370 264: ok 5371 264: ok 5372 264: ok 5373 264: ok 5374 264: ok 5375 264: ok 5376 264: ok 5377 264: ok 5378 264: ok 5379 264: ok 5380 264: ok 5381 264: ok 5382 264: ok 5383 264: ok 5384 264: ok 5385 264: ok 5386 264: ok 5387 264: ok 5388 264: ok 5389 264: ok 5390 264: ok 5391 264: ok 5392 264: ok 5393 264: ok 5394 264: ok 5395 264: ok 5396 264: ok 5397 264: ok 5398 264: ok 5399 264: ok 5400 264: ok 5401 264: ok 5402 264: ok 5403 264: ok 5404 264: ok 5405 264: ok 5406 264: ok 5407 264: ok 5408 264: ok 5409 264: ok 5410 264: ok 5411 264: ok 5412 264: ok 5413 264: ok 5414 264: ok 5415 264: ok 5416 264: ok 5417 264: ok 5418 264: ok 5419 264: ok 5420 264: ok 5421 264: ok 5422 264: ok 5423 264: ok 5424 264: ok 5425 264: ok 5426 264: ok 5427 264: ok 5428 264: ok 5429 264: ok 5430 264: ok 5431 264: ok 5432 264: ok 5433 264: ok 5434 264: ok 5435 264: ok 5436 264: ok 5437 264: ok 5438 264: ok 5439 264: ok 5440 264: ok 5441 264: ok 5442 264: ok 5443 264: ok 5444 264: ok 5445 264: ok 5446 264: ok 5447 264: ok 5448 264: ok 5449 264: ok 5450 264: ok 5451 264: ok 5452 264: ok 5453 264: ok 5454 264: ok 5455 264: ok 5456 264: ok 5457 264: ok 5458 264: ok 5459 264: ok 5460 264: ok 5461 264: ok 5462 264: ok 5463 264: ok 5464 264: ok 5465 264: ok 5466 264: ok 5467 264: ok 5468 264: ok 5469 264: ok 5470 264: ok 5471 264: ok 5472 264: ok 5473 264: ok 5474 264: ok 5475 264: ok 5476 264: ok 5477 264: ok 5478 264: ok 5479 264: ok 5480 264: ok 5481 264: ok 5482 264: ok 5483 264: ok 5484 264: ok 5485 264: ok 5486 264: ok 5487 264: ok 5488 264: ok 5489 264: ok 5490 264: ok 5491 264: ok 5492 264: ok 5493 264: ok 5494 264: ok 5495 264: ok 5496 264: ok 5497 264: ok 5498 264: ok 5499 264: ok 5500 264: ok 5501 264: ok 5502 264: ok 5503 264: ok 5504 264: ok 5505 264: ok 5506 264: ok 5507 264: ok 5508 264: ok 5509 264: ok 5510 264: ok 5511 264: ok 5512 264: ok 5513 264: ok 5514 264: ok 5515 264: ok 5516 264: ok 5517 264: ok 5518 264: ok 5519 264: ok 5520 264: ok 5521 264: ok 5522 264: ok 5523 264: ok 5524 264: ok 5525 264: ok 5526 264: ok 5527 264: ok 5528 264: ok 5529 264: ok 5530 264: ok 5531 264: ok 5532 264: ok 5533 264: ok 5534 264: ok 5535 264: ok 5536 264: ok 5537 264: ok 5538 264: ok 5539 264: ok 5540 264: ok 5541 264: ok 5542 264: ok 5543 264: ok 5544 264: ok 5545 264: ok 5546 264: ok 5547 264: ok 5548 264: ok 5549 264: ok 5550 264: ok 5551 264: ok 5552 264: ok 5553 264: ok 5554 264: ok 5555 264: ok 5556 264: ok 5557 264: ok 5558 264: ok 5559 264: ok 5560 264: ok 5561 264: ok 5562 264: ok 5563 264: ok 5564 264: ok 5565 264: ok 5566 264: ok 5567 264: ok 5568 264: ok 5569 264: ok 5570 264: ok 5571 264: ok 5572 264: ok 5573 264: ok 5574 264: ok 5575 264: ok 5576 264: ok 5577 264: ok 5578 264: ok 5579 264: ok 5580 264: ok 5581 264: ok 5582 264: ok 5583 264: ok 5584 264: ok 5585 264: ok 5586 264: ok 5587 264: ok 5588 264: ok 5589 264: ok 5590 264: ok 5591 264: ok 5592 264: ok 5593 264: ok 5594 264: ok 5595 264: ok 5596 264: ok 5597 264: ok 5598 264: ok 5599 264: ok 5600 264: ok 5601 264: ok 5602 264: ok 5603 264: ok 5604 264: ok 5605 264: ok 5606 264: ok 5607 264: ok 5608 264: ok 5609 264: ok 5610 264: ok 5611 264: ok 5612 264: ok 5613 264: ok 5614 264: ok 5615 264: ok 5616 264: ok 5617 264: ok 5618 264: ok 5619 264: ok 5620 264: ok 5621 264: ok 5622 264: ok 5623 264: ok 5624 264: ok 5625 264: ok 5626 264: ok 5627 264: ok 5628 264: ok 5629 264: ok 5630 264: ok 5631 264: ok 5632 264: ok 5633 264: ok 5634 264: ok 5635 264: ok 5636 264: ok 5637 264: ok 5638 264: ok 5639 264: ok 5640 264: ok 5641 264: ok 5642 264: ok 5643 264: ok 5644 264: ok 5645 264: ok 5646 264: ok 5647 264: ok 5648 264: ok 5649 264: ok 5650 264: ok 5651 264: ok 5652 264: ok 5653 264: ok 5654 264: ok 5655 264: ok 5656 264: ok 5657 264: ok 5658 264: ok 5659 264: ok 5660 264: ok 5661 264: ok 5662 264: ok 5663 264: ok 5664 264: ok 5665 264: ok 5666 264: ok 5667 264: ok 5668 264: ok 5669 264: ok 5670 264: ok 5671 264: ok 5672 264: ok 5673 264: ok 5674 264: ok 5675 264: ok 5676 264: ok 5677 264: ok 5678 264: ok 5679 264: ok 5680 264: ok 5681 264: ok 5682 264: ok 5683 264: ok 5684 264: ok 5685 264: ok 5686 264: ok 5687 264: ok 5688 264: ok 5689 264: ok 5690 264: ok 5691 264: ok 5692 264: ok 5693 264: ok 5694 264: ok 5695 264: ok 5696 264: ok 5697 264: ok 5698 264: ok 5699 264: ok 5700 264: ok 5701 264: ok 5702 264: ok 5703 264: ok 5704 264: ok 5705 264: ok 5706 264: ok 5707 264: ok 5708 264: ok 5709 264: ok 5710 264: ok 5711 264: ok 5712 264: ok 5713 264: ok 5714 264: ok 5715 264: ok 5716 264: ok 5717 264: ok 5718 264: ok 5719 264: ok 5720 264: ok 5721 264: ok 5722 264: ok 5723 264: ok 5724 264: ok 5725 264: ok 5726 264: ok 5727 264: ok 5728 264: ok 5729 264: ok 5730 264: ok 5731 264: ok 5732 264: ok 5733 264: ok 5734 264: ok 5735 264: ok 5736 264: ok 5737 264: ok 5738 264: ok 5739 264: ok 5740 264: ok 5741 264: ok 5742 264: ok 5743 264: ok 5744 264: ok 5745 264: ok 5746 264: ok 5747 264: ok 5748 264: ok 5749 264: ok 5750 264: ok 5751 264: ok 5752 264: ok 5753 264: ok 5754 264: ok 5755 264: ok 5756 264: ok 5757 264: ok 5758 264: ok 5759 264: ok 5760 264: ok 5761 264: ok 5762 264: ok 5763 264: ok 5764 264: ok 5765 264: ok 5766 264: ok 5767 264: ok 5768 264: ok 5769 264: ok 5770 264: ok 5771 264: ok 5772 264: ok 5773 264: ok 5774 264: ok 5775 264: ok 5776 264: ok 5777 264: ok 5778 264: ok 5779 264: ok 5780 264: ok 5781 264: ok 5782 264: ok 5783 264: ok 5784 264: ok 5785 264: ok 5786 264: ok 5787 264: ok 5788 264: ok 5789 264: ok 5790 264: ok 5791 264: ok 5792 264: ok 5793 264: ok 5794 264: ok 5795 264: ok 5796 264: ok 5797 264: ok 5798 264: ok 5799 264: ok 5800 264: ok 5801 264: ok 5802 264: ok 5803 264: ok 5804 264: ok 5805 264: ok 5806 264: ok 5807 264: ok 5808 264: ok 5809 264: ok 5810 264: ok 5811 264: ok 5812 264: ok 5813 264: ok 5814 264: ok 5815 264: ok 5816 264: ok 5817 264: ok 5818 264: ok 5819 264: ok 5820 264: ok 5821 264: ok 5822 264: ok 5823 264: ok 5824 264: ok 5825 264: ok 5826 264: ok 5827 264: ok 5828 264: ok 5829 264: ok 5830 264: ok 5831 264: ok 5832 264: ok 5833 264: ok 5834 264: ok 5835 264: ok 5836 264: ok 5837 264: ok 5838 264: ok 5839 264: ok 5840 264: ok 5841 264: ok 5842 264: ok 5843 264: ok 5844 264: ok 5845 264: ok 5846 264: ok 5847 264: ok 5848 264: ok 5849 264: ok 5850 264: ok 5851 264: ok 5852 264: ok 5853 264: ok 5854 264: ok 5855 264: ok 5856 264: ok 5857 264: ok 5858 264: ok 5859 264: ok 5860 264: ok 5861 264: ok 5862 264: ok 5863 264: ok 5864 264: ok 5865 264: ok 5866 264: ok 5867 264: ok 5868 264: ok 5869 264: ok 5870 264: ok 5871 264: ok 5872 264: ok 5873 264: ok 5874 264: ok 5875 264: ok 5876 264: ok 5877 264: ok 5878 264: ok 5879 264: ok 5880 264: ok 5881 264: ok 5882 264: ok 5883 264: ok 5884 264: ok 5885 264: ok 5886 264: ok 5887 264: ok 5888 264: ok 5889 264: ok 5890 264: ok 5891 264: ok 5892 264: ok 5893 264: ok 5894 264: ok 5895 264: ok 5896 264: ok 5897 264: ok 5898 264: ok 5899 264: ok 5900 264: ok 5901 264: ok 5902 264: ok 5903 264: ok 5904 264: ok 5905 264: ok 5906 264: ok 5907 264: ok 5908 264: ok 5909 264: ok 5910 264: ok 5911 264: ok 5912 264: ok 5913 264: ok 5914 264: ok 5915 264: ok 5916 264: ok 5917 264: ok 5918 264: ok 5919 264: ok 5920 264: ok 5921 264: ok 5922 264: ok 5923 264: ok 5924 264: ok 5925 264: ok 5926 264: ok 5927 264: ok 5928 264: ok 5929 264: ok 5930 264: ok 5931 264: ok 5932 264: ok 5933 264: ok 5934 264: ok 5935 264: ok 5936 264: ok 5937 264: ok 5938 264: ok 5939 264: ok 5940 264: ok 5941 264: ok 5942 264: ok 5943 264: ok 5944 264: ok 5945 264: ok 5946 264: ok 5947 264: ok 5948 264: ok 5949 264: ok 5950 264: ok 5951 264: ok 5952 264: ok 5953 264: ok 5954 264: ok 5955 264: ok 5956 264: ok 5957 264: ok 5958 264: ok 5959 264: ok 5960 264: ok 5961 264: ok 5962 264: ok 5963 264: ok 5964 264: ok 5965 264: ok 5966 264: ok 5967 264: ok 5968 264: ok 5969 264: ok 5970 264: ok 5971 264: ok 5972 264: ok 5973 264: ok 5974 264: ok 5975 264: ok 5976 264: ok 5977 264: ok 5978 264: ok 5979 264: ok 5980 264: ok 5981 264: ok 5982 264: ok 5983 264: ok 5984 264: ok 5985 264: ok 5986 264: ok 5987 264: ok 5988 264: ok 5989 264: ok 5990 264: ok 5991 264: ok 5992 264: ok 5993 264: ok 5994 264: ok 5995 264: ok 5996 264: ok 5997 264: ok 5998 264: ok 5999 264: ok 6000 264: ok 6001 264: ok 6002 264: ok 6003 264: ok 6004 264: ok 6005 264: ok 6006 264: ok 6007 264: ok 6008 264: ok 6009 264: ok 6010 264: ok 6011 264: ok 6012 264: ok 6013 264: ok 6014 264: ok 6015 264: ok 6016 264: ok 6017 264: ok 6018 264: ok 6019 264: ok 6020 264: ok 6021 264: ok 6022 264: ok 6023 264: ok 6024 264: ok 6025 264: ok 6026 264: ok 6027 264: ok 6028 264: ok 6029 264: ok 6030 264: ok 6031 264: ok 6032 264: ok 6033 264: ok 6034 264: ok 6035 264: ok 6036 264: ok 6037 264: ok 6038 264: ok 6039 264: ok 6040 264: ok 6041 264: ok 6042 264: ok 6043 264: ok 6044 264: ok 6045 264: ok 6046 264: ok 6047 264: ok 6048 264: ok 6049 264: ok 6050 264: ok 6051 264: ok 6052 264: ok 6053 264: ok 6054 264: ok 6055 264: ok 6056 264: ok 6057 264: ok 6058 264: ok 6059 264: ok 6060 264: ok 6061 264: ok 6062 264: ok 6063 264: ok 6064 264: ok 6065 264: ok 6066 264: ok 6067 264: ok 6068 264: ok 6069 264: ok 6070 264: ok 6071 264: ok 6072 264: ok 6073 264: ok 6074 264: ok 6075 264: ok 6076 264: ok 6077 264: ok 6078 264: ok 6079 264: ok 6080 264: ok 6081 264: ok 6082 264: ok 6083 264: ok 6084 264: ok 6085 264: ok 6086 264: ok 6087 264: ok 6088 264: ok 6089 264: ok 6090 264: ok 6091 264: ok 6092 264: ok 6093 264: ok 6094 264: ok 6095 264: ok 6096 264: ok 6097 264: ok 6098 264: ok 6099 264: ok 6100 264: ok 6101 264: ok 6102 264: ok 6103 264: ok 6104 264: ok 6105 264: ok 6106 264: ok 6107 264: ok 6108 264: ok 6109 264: ok 6110 264: ok 6111 264: ok 6112 264: ok 6113 264: ok 6114 264: ok 6115 264: ok 6116 264: ok 6117 264: ok 6118 264: ok 6119 264: ok 6120 264: ok 6121 264: ok 6122 264: ok 6123 264: ok 6124 264: ok 6125 264: ok 6126 264: ok 6127 264: ok 6128 264: ok 6129 264: ok 6130 264: ok 6131 264: ok 6132 264: ok 6133 264: ok 6134 264: ok 6135 264: ok 6136 264: ok 6137 264: ok 6138 264: ok 6139 264: ok 6140 264: ok 6141 264: ok 6142 264: ok 6143 264: ok 6144 264: ok 6145 264: ok 6146 264: ok 6147 264: ok 6148 264: ok 6149 264: ok 6150 264: ok 6151 264: ok 6152 264: ok 6153 264: ok 6154 264: ok 6155 264: ok 6156 264: ok 6157 264: ok 6158 264: ok 6159 264: ok 6160 264: ok 6161 264: ok 6162 264: ok 6163 264: ok 6164 264: ok 6165 264: ok 6166 264: ok 6167 264: ok 6168 264: ok 6169 264: ok 6170 264: ok 6171 264: ok 6172 264: ok 6173 264: ok 6174 264: ok 6175 264: ok 6176 264: ok 6177 264: ok 6178 264: ok 6179 264: ok 6180 264: ok 6181 264: ok 6182 264: ok 6183 264: ok 6184 264: ok 6185 264: ok 6186 264: ok 6187 264: ok 6188 264: ok 6189 264: ok 6190 264: ok 6191 264: ok 6192 264: ok 6193 264: ok 6194 264: ok 6195 264: ok 6196 264: ok 6197 264: ok 6198 264: ok 6199 264: ok 6200 264: ok 6201 264: ok 6202 264: ok 6203 264: ok 6204 264: ok 6205 264: ok 6206 264: ok 6207 264: ok 6208 264: ok 6209 264: ok 6210 264: ok 6211 264: ok 6212 264: ok 6213 264: ok 6214 264: ok 6215 264: ok 6216 264: ok 6217 264: ok 6218 264: ok 6219 264: ok 6220 264: ok 6221 264: ok 6222 264: ok 6223 264: ok 6224 264: ok 6225 264: ok 6226 264: ok 6227 264: ok 6228 264: ok 6229 264: ok 6230 264: ok 6231 264: ok 6232 264: ok 6233 264: ok 6234 264: ok 6235 264: ok 6236 264: ok 6237 264: ok 6238 264: ok 6239 264: ok 6240 264: ok 6241 264: ok 6242 264: ok 6243 264: ok 6244 264: ok 6245 264: ok 6246 264: ok 6247 264: ok 6248 264: ok 6249 264: ok 6250 264: ok 6251 264: ok 6252 264: ok 6253 264: ok 6254 264: ok 6255 264: ok 6256 264: ok 6257 264: ok 6258 264: ok 6259 264: ok 6260 264: ok 6261 264: ok 6262 264: ok 6263 264: ok 6264 264: ok 6265 264: ok 6266 264: ok 6267 264: ok 6268 264: ok 6269 264: ok 6270 264: ok 6271 264: ok 6272 264: ok 6273 264: ok 6274 264: ok 6275 264: ok 6276 264: ok 6277 264: ok 6278 264: ok 6279 264: ok 6280 264: ok 6281 264: ok 6282 264: ok 6283 264: ok 6284 264: ok 6285 264: ok 6286 264: ok 6287 264: ok 6288 264: ok 6289 264: ok 6290 264: ok 6291 264: ok 6292 264: ok 6293 264: ok 6294 264: ok 6295 264: ok 6296 264: ok 6297 264: ok 6298 264: ok 6299 264: ok 6300 264: ok 6301 264: ok 6302 264: ok 6303 264: ok 6304 264: ok 6305 264: ok 6306 264: ok 6307 264: ok 6308 264: ok 6309 264: ok 6310 264: ok 6311 264: ok 6312 264: ok 6313 264: ok 6314 264: ok 6315 264: ok 6316 264: ok 6317 264: ok 6318 264: ok 6319 264: ok 6320 264: ok 6321 264: ok 6322 264: ok 6323 264: ok 6324 264: ok 6325 264: ok 6326 264: ok 6327 264: ok 6328 264: ok 6329 264: ok 6330 264: ok 6331 264: ok 6332 264: ok 6333 264: ok 6334 264: ok 6335 264: ok 6336 264: ok 6337 264: ok 6338 264: ok 6339 264: ok 6340 264: ok 6341 264: ok 6342 264: ok 6343 264: ok 6344 264: ok 6345 264: ok 6346 264: ok 6347 264: ok 6348 264: ok 6349 264: ok 6350 264: ok 6351 264: ok 6352 264: ok 6353 264: ok 6354 264: ok 6355 264: ok 6356 264: ok 6357 264: ok 6358 264: ok 6359 264: ok 6360 264: ok 6361 264: ok 6362 264: ok 6363 264: ok 6364 264: ok 6365 264: ok 6366 264: ok 6367 264: ok 6368 264: ok 6369 264: ok 6370 264: ok 6371 264: ok 6372 264: ok 6373 264: ok 6374 264: ok 6375 264: ok 6376 264: ok 6377 264: ok 6378 264: ok 6379 264: ok 6380 264: ok 6381 264: ok 6382 264: ok 6383 264: ok 6384 264: ok 6385 264: ok 6386 264: ok 6387 264: ok 6388 264: ok 6389 264: ok 6390 264: ok 6391 264: ok 6392 264: ok 6393 264: ok 6394 264: ok 6395 264: ok 6396 264: ok 6397 264: ok 6398 264: ok 6399 264: ok 6400 264: ok 6401 264: ok 6402 264: ok 6403 264: ok 6404 264: ok 6405 264: ok 6406 264: ok 6407 264: ok 6408 264: ok 6409 264: ok 6410 264: ok 6411 264: ok 6412 264: ok 6413 264: ok 6414 264: ok 6415 264: ok 6416 264: ok 6417 264: ok 6418 264: ok 6419 264: ok 6420 264: ok 6421 264: ok 6422 264: ok 6423 264: ok 6424 264: ok 6425 264: ok 6426 264: ok 6427 264: ok 6428 264: ok 6429 264: ok 6430 264: ok 6431 264: ok 6432 264: ok 6433 264: ok 6434 264: ok 6435 264: ok 6436 264: ok 6437 264: ok 6438 264: ok 6439 264: ok 6440 264: ok 6441 264: ok 6442 264: ok 6443 264: ok 6444 264: ok 6445 264: ok 6446 264: ok 6447 264: ok 6448 264: ok 6449 264: ok 6450 264: ok 6451 264: ok 6452 264: ok 6453 264: ok 6454 264: ok 6455 264: ok 6456 264: ok 6457 264: ok 6458 264: ok 6459 264: ok 6460 264: ok 6461 264: ok 6462 264: ok 6463 264: ok 6464 264: ok 6465 264: ok 6466 264: ok 6467 264: ok 6468 264: ok 6469 264: ok 6470 264: ok 6471 264: ok 6472 264: ok 6473 264: ok 6474 264: ok 6475 264: ok 6476 264: ok 6477 264: ok 6478 264: ok 6479 264: ok 6480 264: ok 6481 264: ok 6482 264: ok 6483 264: ok 6484 264: ok 6485 264: ok 6486 264: ok 6487 264: ok 6488 264: ok 6489 264: ok 6490 264: ok 6491 264: ok 6492 264: ok 6493 264: ok 6494 264: ok 6495 264: ok 6496 264: ok 6497 264: ok 6498 264: ok 6499 264: ok 6500 264: ok 6501 264: ok 6502 264: ok 6503 264: ok 6504 264: ok 6505 264: ok 6506 264: ok 6507 264: ok 6508 264: ok 6509 264: ok 6510 264: ok 6511 264: ok 6512 264: ok 6513 264: ok 6514 264: ok 6515 264: ok 6516 264: ok 6517 264: ok 6518 264: ok 6519 264: ok 6520 264: ok 6521 264: ok 6522 264: ok 6523 264: ok 6524 264: ok 6525 264: ok 6526 264: ok 6527 264: ok 6528 264: ok 6529 264: ok 6530 264: ok 6531 264: ok 6532 264: ok 6533 264: ok 6534 264: ok 6535 264: ok 6536 264: ok 6537 264: ok 6538 264: ok 6539 264: ok 6540 264: ok 6541 264: ok 6542 264: ok 6543 264: ok 6544 264: ok 6545 264: ok 6546 264: ok 6547 264: ok 6548 264: ok 6549 264: ok 6550 264: ok 6551 264: ok 6552 264: ok 6553 264: ok 6554 264: ok 6555 264: ok 6556 264: ok 6557 264: ok 6558 264: ok 6559 264: ok 6560 264: ok 6561 264: ok 6562 264: ok 6563 264: ok 6564 264: ok 6565 264: ok 6566 264: ok 6567 264: ok 6568 264: ok 6569 264: ok 6570 264: ok 6571 264: ok 6572 264: ok 6573 264: ok 6574 264: ok 6575 264: ok 6576 264: ok 6577 264: ok 6578 264: ok 6579 264: ok 6580 264: ok 6581 264: ok 6582 264: ok 6583 264: ok 6584 264: ok 6585 264: ok 6586 264: ok 6587 264: ok 6588 264: ok 6589 264: ok 6590 264: ok 6591 264: ok 6592 264: ok 6593 264: ok 6594 264: ok 6595 264: ok 6596 264: ok 6597 264: ok 6598 264: ok 6599 264: ok 6600 264: ok 6601 264: ok 6602 264: ok 6603 264: ok 6604 264: ok 6605 264: ok 6606 264: ok 6607 264: ok 6608 264: ok 6609 264: ok 6610 264: ok 6611 264: ok 6612 264: ok 6613 264: ok 6614 264: ok 6615 264: ok 6616 264: ok 6617 264: ok 6618 264: ok 6619 264: ok 6620 264: ok 6621 264: ok 6622 264: ok 6623 264: ok 6624 264: ok 6625 264: ok 6626 264: ok 6627 264: ok 6628 264: ok 6629 264: ok 6630 264: ok 6631 264: ok 6632 264: ok 6633 264: ok 6634 264: ok 6635 264: ok 6636 264: ok 6637 264: ok 6638 264: ok 6639 264: ok 6640 264: ok 6641 264: ok 6642 264: ok 6643 264: ok 6644 264: ok 6645 264: ok 6646 264: ok 6647 264: ok 6648 264: ok 6649 264: ok 6650 264: ok 6651 264: ok 6652 264: ok 6653 264: ok 6654 264: ok 6655 264: ok 6656 264: ok 6657 264: ok 6658 264: ok 6659 264: ok 6660 264: ok 6661 264: ok 6662 264: ok 6663 264: ok 6664 264: ok 6665 264: ok 6666 264: ok 6667 264: ok 6668 264: ok 6669 264: ok 6670 264: ok 6671 264: ok 6672 264: ok 6673 264: ok 6674 264: ok 6675 264: ok 6676 264: ok 6677 264: ok 6678 264: ok 6679 264: ok 6680 264: ok 6681 264: ok 6682 264: ok 6683 264: ok 6684 264: ok 6685 264: ok 6686 264: ok 6687 264: ok 6688 264: ok 6689 264: ok 6690 264: ok 6691 264: ok 6692 264: ok 6693 264: ok 6694 264: ok 6695 264: ok 6696 264: ok 6697 264: ok 6698 264: ok 6699 264: ok 6700 264: ok 6701 264: ok 6702 264: ok 6703 264: ok 6704 264: ok 6705 264: ok 6706 264: ok 6707 264: ok 6708 264: ok 6709 264: ok 6710 264: ok 6711 264: ok 6712 264: ok 6713 264: ok 6714 264: ok 6715 264: ok 6716 264: ok 6717 264: ok 6718 264: ok 6719 264: ok 6720 264: ok 6721 264: ok 6722 264: ok 6723 264: ok 6724 264: ok 6725 264: ok 6726 264: ok 6727 264: ok 6728 264: ok 6729 264: ok 6730 264: ok 6731 264: ok 6732 264: ok 6733 264: ok 6734 264: ok 6735 264: ok 6736 264: ok 6737 264: ok 6738 264: ok 6739 264: ok 6740 264: ok 6741 264: ok 6742 264: ok 6743 264: ok 6744 264: ok 6745 264: ok 6746 264: ok 6747 264: ok 6748 264: ok 6749 264: ok 6750 264: ok 6751 264: ok 6752 264: ok 6753 264: ok 6754 264: ok 6755 264: ok 6756 264: ok 6757 264: ok 6758 264: ok 6759 264: ok 6760 264: ok 6761 264: ok 6762 264: ok 6763 264: ok 6764 264: ok 6765 264: ok 6766 264: ok 6767 264: ok 6768 264: ok 6769 264: ok 6770 264: ok 6771 264: ok 6772 264: ok 6773 264: ok 6774 264: ok 6775 264: ok 6776 264: ok 6777 264: ok 6778 264: ok 6779 264: ok 6780 264: ok 6781 264: ok 6782 264: ok 6783 264: ok 6784 264: ok 6785 264: ok 6786 264: ok 6787 264: ok 6788 264: ok 6789 264: ok 6790 264: ok 6791 264: ok 6792 264: ok 6793 264: ok 6794 264: ok 6795 264: ok 6796 264: ok 6797 264: ok 6798 264: ok 6799 264: ok 6800 264: ok 6801 264: ok 6802 264: ok 6803 264: ok 6804 264: ok 6805 264: ok 6806 264: ok 6807 264: ok 6808 264: ok 6809 264: ok 6810 264: ok 6811 264: ok 6812 264: ok 6813 264: ok 6814 264: ok 6815 264: ok 6816 264: ok 6817 264: ok 6818 264: ok 6819 264: ok 6820 264: ok 6821 264: ok 6822 264: ok 6823 264: ok 6824 264: ok 6825 264: ok 6826 264: ok 6827 264: ok 6828 264: ok 6829 264: ok 6830 264: ok 6831 264: ok 6832 264: ok 6833 264: ok 6834 264: ok 6835 264: ok 6836 264: ok 6837 264: ok 6838 264: ok 6839 264: ok 6840 264: ok 6841 264: ok 6842 264: ok 6843 264: ok 6844 264: ok 6845 264: ok 6846 264: ok 6847 264: ok 6848 264: ok 6849 264: ok 6850 264: ok 6851 264: ok 6852 264: ok 6853 264: ok 6854 264: ok 6855 264: ok 6856 264: ok 6857 264: ok 6858 264: ok 6859 264: ok 6860 264: ok 6861 264: ok 6862 264: ok 6863 264: ok 6864 264: ok 6865 264: ok 6866 264: ok 6867 264: ok 6868 264: ok 6869 264: ok 6870 264: ok 6871 264: ok 6872 264: ok 6873 264: ok 6874 264: ok 6875 264: ok 6876 264: ok 6877 264: ok 6878 264: ok 6879 264: ok 6880 264: ok 6881 264: ok 6882 264: ok 6883 264: ok 6884 264: ok 6885 264: ok 6886 264: ok 6887 264: ok 6888 264: ok 6889 264: ok 6890 264: ok 6891 264: ok 6892 264: ok 6893 264: ok 6894 264: ok 6895 264: ok 6896 264: ok 6897 264: ok 6898 264: ok 6899 264: ok 6900 264: ok 6901 264: ok 6902 264: ok 6903 264: ok 6904 264: ok 6905 264: ok 6906 264: ok 6907 264: ok 6908 264: ok 6909 264: ok 6910 264: ok 6911 264: ok 6912 264: ok 6913 264: ok 6914 264: ok 6915 264: ok 6916 264: ok 6917 264: ok 6918 264: ok 6919 264: ok 6920 264: ok 6921 264: ok 6922 264: ok 6923 264: ok 6924 264: ok 6925 264: ok 6926 264: ok 6927 264: ok 6928 264: ok 6929 264: ok 6930 264: ok 6931 264: ok 6932 264: ok 6933 264: ok 6934 264: ok 6935 264: ok 6936 264: ok 6937 264: ok 6938 264: ok 6939 264: ok 6940 264: ok 6941 264: ok 6942 264: ok 6943 264: ok 6944 264: ok 6945 264: ok 6946 264: ok 6947 264: ok 6948 264: ok 6949 264: ok 6950 264: ok 6951 264: ok 6952 264: ok 6953 264: ok 6954 264: ok 6955 264: ok 6956 264: ok 6957 264: ok 6958 264: ok 6959 264: ok 6960 264: ok 6961 264: ok 6962 264: ok 6963 264: ok 6964 264: ok 6965 264: ok 6966 264: ok 6967 264: ok 6968 264: ok 6969 264: ok 6970 264: ok 6971 264: ok 6972 264: ok 6973 264: ok 6974 264: ok 6975 264: ok 6976 264: ok 6977 264: ok 6978 264: ok 6979 264: ok 6980 264: ok 6981 264: ok 6982 264: ok 6983 264: ok 6984 264: ok 6985 264: ok 6986 264: ok 6987 264: ok 6988 264: ok 6989 264: ok 6990 264: ok 6991 264: ok 6992 264: ok 6993 264: ok 6994 264: ok 6995 264: ok 6996 264: ok 6997 264: ok 6998 264: ok 6999 264: ok 7000 264: ok 7001 264: ok 7002 264: ok 7003 264: ok 7004 264: ok 7005 264: ok 7006 264: ok 7007 264: ok 7008 264: ok 7009 264: ok 7010 264: ok 7011 264: ok 7012 264: ok 7013 264: ok 7014 264: ok 7015 264: ok 7016 264: ok 7017 264: ok 7018 264: ok 7019 264: ok 7020 264: ok 7021 264: ok 7022 264: ok 7023 264: ok 7024 264: ok 7025 264: ok 7026 264: ok 7027 264: ok 7028 264: ok 7029 264: ok 7030 264: ok 7031 264: ok 7032 264: ok 7033 264: ok 7034 264: ok 7035 264: ok 7036 264: ok 7037 264: ok 7038 264: ok 7039 264: ok 7040 264: ok 7041 264: ok 7042 264: ok 7043 264: ok 7044 264: ok 7045 264: ok 7046 264: ok 7047 264: ok 7048 264: ok 7049 264: ok 7050 264: ok 7051 264: ok 7052 264: ok 7053 264: ok 7054 264: ok 7055 264: ok 7056 264: ok 7057 264: ok 7058 264: ok 7059 264: ok 7060 264: ok 7061 264: ok 7062 264: ok 7063 264: ok 7064 264: ok 7065 264: ok 7066 264: ok 7067 264: ok 7068 264: ok 7069 264: ok 7070 264: ok 7071 264: ok 7072 264: ok 7073 264: ok 7074 264: ok 7075 264: ok 7076 264: ok 7077 264: ok 7078 264: ok 7079 264: ok 7080 264: ok 7081 264: ok 7082 264: ok 7083 264: ok 7084 264: ok 7085 264: ok 7086 264: ok 7087 264: ok 7088 264: ok 7089 264: ok 7090 264: ok 7091 264: ok 7092 264: ok 7093 264: ok 7094 264: ok 7095 264: ok 7096 264: ok 7097 264: ok 7098 264: ok 7099 264: ok 7100 264: ok 7101 264: ok 7102 264: ok 7103 264: ok 7104 264: ok 7105 264: ok 7106 264: ok 7107 264: ok 7108 264: ok 7109 264: ok 7110 264: ok 7111 264: ok 7112 264: ok 7113 264: ok 7114 264: ok 7115 264: ok 7116 264: ok 7117 264: ok 7118 264: ok 7119 264: ok 7120 264: ok 7121 264: ok 7122 264: ok 7123 264: ok 7124 264: ok 7125 264: ok 7126 264: ok 7127 264: ok 7128 264: ok 7129 264: ok 7130 264: ok 7131 264: ok 7132 264: ok 7133 264: ok 7134 264: ok 7135 264: ok 7136 264: ok 7137 264: ok 7138 264: ok 7139 264: ok 7140 264: ok 7141 264: ok 7142 264: ok 7143 264: ok 7144 264: ok 7145 264: ok 7146 264: ok 7147 264: ok 7148 264: ok 7149 264: ok 7150 264: ok 7151 264: ok 7152 264: ok 7153 264: ok 7154 264: ok 7155 264: ok 7156 264: ok 7157 264: ok 7158 264: ok 7159 264: ok 7160 264: ok 7161 264: ok 7162 264: ok 7163 264: ok 7164 264: ok 7165 264: ok 7166 264: ok 7167 264: ok 7168 264: ok 7169 264: ok 7170 264: ok 7171 264: ok 7172 264: ok 7173 264: ok 7174 264: ok 7175 264: ok 7176 264: ok 7177 264: ok 7178 264: ok 7179 264: ok 7180 264: ok 7181 264: ok 7182 264: ok 7183 264: ok 7184 264: ok 7185 264: ok 7186 264: ok 7187 264: ok 7188 264: ok 7189 264: ok 7190 264: ok 7191 264: ok 7192 264: ok 7193 264: ok 7194 264: ok 7195 264: ok 7196 264: ok 7197 264: ok 7198 264: ok 7199 264: ok 7200 264: ok 7201 264: ok 7202 264: ok 7203 264: ok 7204 264: ok 7205 264: ok 7206 264: ok 7207 264: ok 7208 264: ok 7209 264: ok 7210 264: ok 7211 264: ok 7212 264: ok 7213 264: ok 7214 264: ok 7215 264: ok 7216 264: ok 7217 264: ok 7218 264: ok 7219 264: ok 7220 264: ok 7221 264: ok 7222 264: ok 7223 264: ok 7224 264: ok 7225 264: ok 7226 264: ok 7227 264: ok 7228 264: ok 7229 264: ok 7230 264: ok 7231 264: ok 7232 264: ok 7233 264: ok 7234 264: ok 7235 264: ok 7236 264: ok 7237 264: ok 7238 264: ok 7239 264: ok 7240 264: ok 7241 264: ok 7242 264: ok 7243 264: ok 7244 264: ok 7245 264: ok 7246 264: ok 7247 264: ok 7248 264: ok 7249 264: ok 7250 264: ok 7251 264: ok 7252 264: ok 7253 264: ok 7254 264: ok 7255 264: ok 7256 264: ok 7257 264: ok 7258 264: ok 7259 264: ok 7260 264: ok 7261 264: ok 7262 264: ok 7263 264: ok 7264 264: ok 7265 264: ok 7266 264: ok 7267 264: ok 7268 264: ok 7269 264: ok 7270 264: ok 7271 264: ok 7272 264: ok 7273 264: ok 7274 264: ok 7275 264: ok 7276 264: ok 7277 264: ok 7278 264: ok 7279 264: ok 7280 264: ok 7281 264: ok 7282 264: ok 7283 264: ok 7284 264: ok 7285 264: ok 7286 264: ok 7287 264: ok 7288 264: ok 7289 264: ok 7290 264: ok 7291 264: ok 7292 264: ok 7293 264: ok 7294 264: ok 7295 264: ok 7296 264: ok 7297 264: ok 7298 264: ok 7299 264: ok 7300 264: ok 7301 264: ok 7302 264: ok 7303 264: ok 7304 264: ok 7305 264: ok 7306 264: ok 7307 264: ok 7308 264: ok 7309 264: ok 7310 264: ok 7311 264: ok 7312 264: ok 7313 264: ok 7314 264: ok 7315 264: ok 7316 264: ok 7317 264: ok 7318 264: ok 7319 264: ok 7320 264: ok 7321 264: ok 7322 264: ok 7323 264: ok 7324 264: ok 7325 264: ok 7326 264: ok 7327 264: ok 7328 264: ok 7329 264: ok 7330 264: ok 7331 264: ok 7332 264: ok 7333 264: ok 7334 264: ok 7335 264: ok 7336 264: ok 7337 264: ok 7338 264: ok 7339 264: ok 7340 264: ok 7341 264: ok 7342 264: ok 7343 264: ok 7344 264: ok 7345 264: ok 7346 264: ok 7347 264: ok 7348 264: ok 7349 264: ok 7350 264: ok 7351 264: ok 7352 264: ok 7353 264: ok 7354 264: ok 7355 264: ok 7356 264: ok 7357 264: ok 7358 264: ok 7359 264: ok 7360 264: ok 7361 264: ok 7362 264: ok 7363 264: ok 7364 264: ok 7365 264: ok 7366 264: ok 7367 264: ok 7368 264: ok 7369 264: ok 7370 264: ok 7371 264: ok 7372 264: ok 7373 264: ok 7374 264: ok 7375 264: ok 7376 264: ok 7377 264: ok 7378 264: ok 7379 264: ok 7380 264: ok 7381 264: ok 7382 264: ok 7383 264: ok 7384 264: ok 7385 264: ok 7386 264: ok 7387 264: ok 7388 264: ok 7389 264: ok 7390 264: ok 7391 264: ok 7392 264: ok 7393 264: ok 7394 264: ok 7395 264: ok 7396 264: ok 7397 264: ok 7398 264: ok 7399 264: ok 7400 264: ok 7401 264: ok 7402 264: ok 7403 264: ok 7404 264: ok 7405 264: ok 7406 264: ok 7407 264: ok 7408 264: ok 7409 264: ok 7410 264: ok 7411 264: ok 7412 264: ok 7413 264: ok 7414 264: ok 7415 264: ok 7416 264: ok 7417 264: ok 7418 264: ok 7419 264: ok 7420 264: ok 7421 264: ok 7422 264: ok 7423 264: ok 7424 264: ok 7425 264: ok 7426 264: ok 7427 264: ok 7428 264: ok 7429 264: ok 7430 264: ok 7431 264: ok 7432 264: ok 7433 264: ok 7434 264: ok 7435 264: ok 7436 264: ok 7437 264: ok 7438 264: ok 7439 264: ok 7440 264: ok 7441 264: ok 7442 264: ok 7443 264: ok 7444 264: ok 7445 264: ok 7446 264: ok 7447 264: ok 7448 264: ok 7449 264: ok 7450 264: ok 7451 264: ok 7452 264: ok 7453 264: ok 7454 264: ok 7455 264: ok 7456 264: ok 7457 264: ok 7458 264: ok 7459 264: ok 7460 264: ok 7461 264: ok 7462 264: ok 7463 264: ok 7464 264: ok 7465 264: ok 7466 264: ok 7467 264: ok 7468 264: ok 7469 264: ok 7470 264: ok 7471 264: ok 7472 264: ok 7473 264: ok 7474 264: ok 7475 264: ok 7476 264: ok 7477 264: ok 7478 264: ok 7479 264: ok 7480 264: ok 7481 264: ok 7482 264: ok 7483 264: ok 7484 264: ok 7485 264: ok 7486 264: ok 7487 264: ok 7488 264: ok 7489 264: ok 7490 264: ok 7491 264: ok 7492 264: ok 7493 264: ok 7494 264: ok 7495 264: ok 7496 264: ok 7497 264: ok 7498 264: ok 7499 264: ok 7500 264: ok 7501 264: ok 7502 264: ok 7503 264: ok 7504 264: ok 7505 264: ok 7506 264: ok 7507 264: ok 7508 264: ok 7509 264: ok 7510 264: ok 7511 264: ok 7512 264: ok 7513 264: ok 7514 264: ok 7515 264: ok 7516 264: ok 7517 264: ok 7518 264: ok 7519 264: ok 7520 264: ok 7521 264: ok 7522 264: ok 7523 264: ok 7524 264: ok 7525 264: ok 7526 264: ok 7527 264: ok 7528 264: ok 7529 264: ok 7530 264: ok 7531 264: ok 7532 264: ok 7533 264: ok 7534 264: ok 7535 264: ok 7536 264: ok 7537 264: ok 7538 264: ok 7539 264: ok 7540 264: ok 7541 264: ok 7542 264: ok 7543 264: ok 7544 264: ok 7545 264: ok 7546 264: ok 7547 264: ok 7548 264: ok 7549 264: ok 7550 264: ok 7551 264: ok 7552 264: ok 7553 264: ok 7554 264: ok 7555 264: ok 7556 264: ok 7557 264: ok 7558 264: ok 7559 264: ok 7560 264: ok 7561 264: ok 7562 264: ok 7563 264: ok 7564 264: ok 7565 264: ok 7566 264: ok 7567 264: ok 7568 264: ok 7569 264: ok 7570 264: ok 7571 264: ok 7572 264: ok 7573 264: ok 7574 264: ok 7575 264: ok 7576 264: ok 7577 264: ok 7578 264: ok 7579 264: ok 7580 264: ok 7581 264: ok 7582 264: ok 7583 264: ok 7584 264: ok 7585 264: ok 7586 264: ok 7587 264: ok 7588 264: ok 7589 264: ok 7590 264: ok 7591 264: ok 7592 264: ok 7593 264: ok 7594 264: ok 7595 264: ok 7596 264: ok 7597 264: ok 7598 264: ok 7599 264: ok 7600 264: ok 7601 264: ok 7602 264: ok 7603 264: ok 7604 264: ok 7605 264: ok 7606 264: ok 7607 264: ok 7608 264: ok 7609 264: ok 7610 264: ok 7611 264: ok 7612 264: ok 7613 264: ok 7614 264: ok 7615 264: ok 7616 264: ok 7617 264: ok 7618 264: ok 7619 264: ok 7620 264: ok 7621 264: ok 7622 264: ok 7623 264: ok 7624 264: ok 7625 264: ok 7626 264: ok 7627 264: ok 7628 264: ok 7629 264: ok 7630 264: ok 7631 264: ok 7632 264: ok 7633 264: ok 7634 264: ok 7635 264: ok 7636 264: ok 7637 264: ok 7638 264: ok 7639 264: ok 7640 264: ok 7641 264: ok 7642 264: ok 7643 264: ok 7644 264: ok 7645 264: ok 7646 264: ok 7647 264: ok 7648 264: ok 7649 264: ok 7650 264: ok 7651 264: ok 7652 264: ok 7653 264: ok 7654 264: ok 7655 264: ok 7656 264: ok 7657 264: ok 7658 264: ok 7659 264: ok 7660 264: ok 7661 264: ok 7662 264: ok 7663 264: ok 7664 264: ok 7665 264: ok 7666 264: ok 7667 264: ok 7668 264: ok 7669 264: ok 7670 264: ok 7671 264: ok 7672 264: ok 7673 264: ok 7674 264: ok 7675 264: ok 7676 264: ok 7677 264: ok 7678 264: ok 7679 264: ok 7680 264: ok 7681 264: ok 7682 264: ok 7683 264: ok 7684 264: ok 7685 264: ok 7686 264: ok 7687 264: ok 7688 264: ok 7689 264: ok 7690 264: ok 7691 264: ok 7692 264: ok 7693 264: ok 7694 264: ok 7695 264: ok 7696 264: ok 7697 264: ok 7698 264: ok 7699 264: ok 7700 264: ok 7701 264: ok 7702 264: ok 7703 264: ok 7704 264: ok 7705 264: ok 7706 264: ok 7707 264: ok 7708 264: ok 7709 264: ok 7710 264: ok 7711 264: ok 7712 264: ok 7713 264: ok 7714 264: ok 7715 264: ok 7716 264: ok 7717 264: ok 7718 264: ok 7719 264: ok 7720 264: ok 7721 264: ok 7722 264: ok 7723 264: ok 7724 264: ok 7725 264: ok 7726 264: ok 7727 264: ok 7728 264: ok 7729 264: ok 7730 264: ok 7731 264: ok 7732 264: ok 7733 264: ok 7734 264: ok 7735 264: ok 7736 264: ok 7737 264: ok 7738 264: ok 7739 264: ok 7740 264: ok 7741 264: ok 7742 264: ok 7743 264: ok 7744 264: ok 7745 264: ok 7746 264: ok 7747 264: ok 7748 264: ok 7749 264: ok 7750 264: ok 7751 264: ok 7752 264: ok 7753 264: ok 7754 264: ok 7755 264: ok 7756 264: ok 7757 264: ok 7758 264: ok 7759 264: ok 7760 264: ok 7761 264: ok 7762 264: ok 7763 264: ok 7764 264: ok 7765 264: ok 7766 264: ok 7767 264: ok 7768 264: ok 7769 264: ok 7770 264: ok 7771 264: ok 7772 264: ok 7773 264: ok 7774 264: ok 7775 264: ok 7776 264: ok 7777 264: ok 7778 264: ok 7779 264: ok 7780 264: ok 7781 264: ok 7782 264: ok 7783 264: ok 7784 264: ok 7785 264: ok 7786 264: ok 7787 264: ok 7788 264: ok 7789 264: ok 7790 264: ok 7791 264: ok 7792 264: ok 7793 264: ok 7794 264: ok 7795 264: ok 7796 264: ok 7797 264: ok 7798 264: ok 7799 264: ok 7800 264: ok 7801 264: ok 7802 264: ok 7803 264: ok 7804 264: ok 7805 264: ok 7806 264: ok 7807 264: ok 7808 264: ok 7809 264: ok 7810 264: ok 7811 264: ok 7812 264: ok 7813 264: ok 7814 264: ok 7815 264: ok 7816 264: ok 7817 264: ok 7818 264: ok 7819 264: ok 7820 264: ok 7821 264: ok 7822 264: ok 7823 264: ok 7824 264: ok 7825 264: ok 7826 264: ok 7827 264: ok 7828 264: ok 7829 264: ok 7830 264: ok 7831 264: ok 7832 264: ok 7833 264: ok 7834 264: ok 7835 264: ok 7836 264: ok 7837 264: ok 7838 264: ok 7839 264: ok 7840 264: ok 7841 264: ok 7842 264: ok 7843 264: ok 7844 264: ok 7845 264: ok 7846 264: ok 7847 264: ok 7848 264: ok 7849 264: ok 7850 264: ok 7851 264: ok 7852 264: ok 7853 264: ok 7854 264: ok 7855 264: ok 7856 264: ok 7857 264: ok 7858 264: ok 7859 264: ok 7860 264: ok 7861 264: ok 7862 264: ok 7863 264: ok 7864 264: ok 7865 264: ok 7866 264: ok 7867 264: ok 7868 264: ok 7869 264: ok 7870 264: ok 7871 264: ok 7872 264: ok 7873 264: ok 7874 264: ok 7875 264: ok 7876 264: ok 7877 264: ok 7878 264: ok 7879 264: ok 7880 264: ok 7881 264: ok 7882 264: ok 7883 264: ok 7884 264: ok 7885 264: ok 7886 264: ok 7887 264: ok 7888 264: ok 7889 264: ok 7890 264: ok 7891 264: ok 7892 264: ok 7893 264: ok 7894 264: ok 7895 264: ok 7896 264: ok 7897 264: ok 7898 264: ok 7899 264: ok 7900 264: ok 7901 264: ok 7902 264: ok 7903 264: ok 7904 264: ok 7905 264: ok 7906 264: ok 7907 264: ok 7908 264: ok 7909 264: ok 7910 264: ok 7911 264: ok 7912 264: ok 7913 264: ok 7914 264: ok 7915 264: ok 7916 264: ok 7917 264: ok 7918 264: ok 7919 264: ok 7920 264: ok 7921 264: ok 7922 264: ok 7923 264: ok 7924 264: ok 7925 264: ok 7926 264: ok 7927 264: ok 7928 264: ok 7929 264: ok 7930 264: ok 7931 264: ok 7932 264: ok 7933 264: ok 7934 264: ok 7935 264: ok 7936 264: ok 7937 264: ok 7938 264: ok 7939 264: ok 7940 264: ok 7941 264: ok 7942 264: ok 7943 264: ok 7944 264: ok 7945 264: ok 7946 264: ok 7947 264: ok 7948 264: ok 7949 264: ok 7950 264: ok 7951 264: ok 7952 264: ok 7953 264: ok 7954 264: ok 7955 264: ok 7956 264: ok 7957 264: ok 7958 264: ok 7959 264: ok 7960 264: ok 7961 264: ok 7962 264: ok 7963 264: ok 7964 264: ok 7965 264: ok 7966 264: ok 7967 264: ok 7968 264: ok 7969 264: ok 7970 264: ok 7971 264: ok 7972 264: ok 7973 264: ok 7974 264: ok 7975 264: ok 7976 264: ok 7977 264: ok 7978 264: ok 7979 264: ok 7980 264: ok 7981 264: ok 7982 264: ok 7983 264: ok 7984 264: ok 7985 264: ok 7986 264: ok 7987 264: ok 7988 264: ok 7989 264: ok 7990 264: ok 7991 264: ok 7992 264: ok 7993 264: ok 7994 264: ok 7995 264: ok 7996 264: ok 7997 264: ok 7998 264: ok 7999 264: ok 8000 264: ok 8001 264: ok 8002 264: ok 8003 264: ok 8004 264: ok 8005 264: ok 8006 264: ok 8007 264: ok 8008 264: ok 8009 264: ok 8010 264: ok 8011 264: ok 8012 264: ok 8013 264: ok 8014 264: ok 8015 264: ok 8016 264: ok 8017 264: ok 8018 264: ok 8019 264: ok 8020 264: ok 8021 264: ok 8022 264: ok 8023 264: ok 8024 264: ok 8025 264: ok 8026 264: ok 8027 264: ok 8028 264: ok 8029 264: ok 8030 264: ok 8031 264: ok 8032 264: ok 8033 264: ok 8034 264: ok 8035 264: ok 8036 264: ok 8037 264: ok 8038 264: ok 8039 264: ok 8040 264: ok 8041 264: ok 8042 264: ok 8043 264: ok 8044 264: ok 8045 264: ok 8046 264: ok 8047 264: ok 8048 264: ok 8049 264: ok 8050 264: ok 8051 264: ok 8052 264: ok 8053 264: ok 8054 264: ok 8055 264: ok 8056 264: ok 8057 264: ok 8058 264: ok 8059 264: ok 8060 264: ok 8061 264: ok 8062 264: ok 8063 264: ok 8064 264: ok 8065 264: ok 8066 264: ok 8067 264: ok 8068 264: ok 8069 264: ok 8070 264: ok 8071 264: ok 8072 264: ok 8073 264: ok 8074 264: ok 8075 264: ok 8076 264: ok 8077 264: ok 8078 264: ok 8079 264: ok 8080 264: ok 8081 264: ok 8082 264: ok 8083 264: ok 8084 264: ok 8085 264: ok 8086 264: ok 8087 264: ok 8088 264: ok 8089 264: ok 8090 264: ok 8091 264: ok 8092 264: ok 8093 264: ok 8094 264: ok 8095 264: ok 8096 264: ok 8097 264: ok 8098 264: ok 8099 264: ok 8100 264: ok 8101 264: ok 8102 264: ok 8103 264: ok 8104 264: ok 8105 264: ok 8106 264: ok 8107 264: ok 8108 264: ok 8109 264: ok 8110 264: ok 8111 264: ok 8112 264: ok 8113 264: ok 8114 264: ok 8115 264: ok 8116 264: ok 8117 264: ok 8118 264: ok 8119 264: ok 8120 264: ok 8121 264: ok 8122 264: ok 8123 264: ok 8124 264: ok 8125 264: ok 8126 264: ok 8127 264: ok 8128 264: ok 8129 264: ok 8130 264: ok 8131 264: ok 8132 264: ok 8133 264: ok 8134 264: ok 8135 264: ok 8136 264: ok 8137 264: ok 8138 264: ok 8139 264: ok 8140 264: ok 8141 264: ok 8142 264: ok 8143 264: ok 8144 264: ok 8145 264: ok 8146 264: ok 8147 264: ok 8148 264: ok 8149 264: ok 8150 264: ok 8151 264: ok 8152 264: ok 8153 264: ok 8154 264: ok 8155 264: ok 8156 264: ok 8157 264: ok 8158 264: ok 8159 264: ok 8160 264: ok 8161 264: ok 8162 264: ok 8163 264: ok 8164 264: ok 8165 264: ok 8166 264: ok 8167 264: ok 8168 264: ok 8169 264: ok 8170 264: ok 8171 264: ok 8172 264: ok 8173 264: ok 8174 264: ok 8175 264: ok 8176 264: ok 8177 264: ok 8178 264: ok 8179 264: ok 8180 264: ok 8181 264: ok 8182 264: ok 8183 264: ok 8184 264: ok 8185 264: ok 8186 264: ok 8187 264: ok 8188 264: ok 8189 264: ok 8190 264: ok 8191 264: ok 8192 264: ok 8193 264: ok 8194 264: ok 8195 264: ok 8196 264: ok 8197 264: ok 8198 264: ok 8199 264: ok 8200 264: ok 8201 264: ok 8202 264: ok 8203 264: ok 8204 264: ok 8205 264: ok 8206 264: ok 8207 264: ok 8208 264: ok 8209 264: ok 8210 264: ok 8211 264: ok 8212 264: ok 8213 264: ok 8214 264: ok 8215 264: ok 8216 264: ok 8217 264: ok 8218 264: ok 8219 264: ok 8220 264: ok 8221 264: ok 8222 264: ok 8223 264: ok 8224 264: ok 8225 264: ok 8226 264: ok 8227 264: ok 8228 264: ok 8229 264: ok 8230 264: ok 8231 264: ok 8232 264: ok 8233 264: ok 8234 264: ok 8235 264: ok 8236 264: ok 8237 264: ok 8238 264: ok 8239 264: ok 8240 264: ok 8241 264: ok 8242 264: ok 8243 264: ok 8244 264: ok 8245 264: ok 8246 264: ok 8247 264: ok 8248 264: ok 8249 264: ok 8250 264: ok 8251 264: ok 8252 264: ok 8253 264: ok 8254 264: ok 8255 264: ok 8256 264: ok 8257 264: ok 8258 264: ok 8259 264: ok 8260 264: ok 8261 264: ok 8262 264: ok 8263 264: ok 8264 264: ok 8265 264: ok 8266 264: ok 8267 264: ok 8268 264: ok 8269 264: ok 8270 264: ok 8271 264: ok 8272 264: ok 8273 264: ok 8274 264: ok 8275 264: ok 8276 264: ok 8277 264: ok 8278 264: ok 8279 264: ok 8280 264: ok 8281 264: ok 8282 264: ok 8283 264: ok 8284 264: ok 8285 264: ok 8286 264: ok 8287 264: ok 8288 264: ok 8289 264: ok 8290 264: ok 8291 264: ok 8292 264: ok 8293 264: ok 8294 264: ok 8295 264: ok 8296 264: ok 8297 264: ok 8298 264: ok 8299 264: ok 8300 264: ok 8301 264: ok 8302 264: ok 8303 264: ok 8304 264: ok 8305 264: ok 8306 264: ok 8307 264: ok 8308 264: ok 8309 264: ok 8310 264: ok 8311 264: ok 8312 264: ok 8313 264: ok 8314 264: ok 8315 264: ok 8316 264: ok 8317 264: ok 8318 264: ok 8319 264: ok 8320 264: ok 8321 264: ok 8322 264: ok 8323 264: ok 8324 264: ok 8325 264: ok 8326 264: ok 8327 264: ok 8328 264: ok 8329 264: ok 8330 264: ok 8331 264: ok 8332 264: ok 8333 264: ok 8334 264: ok 8335 264: ok 8336 264: ok 8337 264: ok 8338 264: ok 8339 264: ok 8340 264: ok 8341 264: ok 8342 264: ok 8343 264: ok 8344 264: ok 8345 264: ok 8346 264: ok 8347 264: ok 8348 264: ok 8349 264: ok 8350 264: ok 8351 264: ok 8352 264: ok 8353 264: ok 8354 264: ok 8355 264: ok 8356 264: ok 8357 264: ok 8358 264: ok 8359 264: ok 8360 264: ok 8361 264: ok 8362 264: ok 8363 264: ok 8364 264: ok 8365 264: ok 8366 264: ok 8367 264: ok 8368 264: ok 8369 264: ok 8370 264: ok 8371 264: ok 8372 264: ok 8373 264: ok 8374 264: ok 8375 264: ok 8376 264: ok 8377 264: ok 8378 264: ok 8379 264: ok 8380 264: ok 8381 264: ok 8382 264: ok 8383 264: ok 8384 264: ok 8385 264: ok 8386 264: ok 8387 264: ok 8388 264: ok 8389 264: ok 8390 264: ok 8391 264: ok 8392 264: ok 8393 264: ok 8394 264: ok 8395 264: ok 8396 264: ok 8397 264: ok 8398 264: ok 8399 264: ok 8400 264: ok 8401 264: ok 8402 264: ok 8403 264: ok 8404 264: ok 8405 264: ok 8406 264: ok 8407 264: ok 8408 264: ok 8409 264: ok 8410 264: ok 8411 264: ok 8412 264: ok 8413 264: ok 8414 264: ok 8415 264: ok 8416 264: ok 8417 264: ok 8418 264: ok 8419 264: ok 8420 264: ok 8421 264: ok 8422 264: ok 8423 264: ok 8424 264: ok 8425 264: ok 8426 264: ok 8427 264: ok 8428 264: ok 8429 264: ok 8430 264: ok 8431 264: ok 8432 264: ok 8433 264: ok 8434 264: ok 8435 264: ok 8436 264: ok 8437 264: ok 8438 264: ok 8439 264: ok 8440 264: ok 8441 264: ok 8442 264: ok 8443 264: ok 8444 264: ok 8445 264: ok 8446 264: ok 8447 264: ok 8448 264: ok 8449 264: ok 8450 264: ok 8451 264: ok 8452 264: ok 8453 264: ok 8454 264: ok 8455 264: ok 8456 264: ok 8457 264: ok 8458 264: ok 8459 264: ok 8460 264: ok 8461 264: ok 8462 264: ok 8463 264: ok 8464 264: ok 8465 264: ok 8466 264: ok 8467 264: ok 8468 264: ok 8469 264: ok 8470 264: ok 8471 264: ok 8472 264: ok 8473 264: ok 8474 264: ok 8475 264: ok 8476 264: ok 8477 264: ok 8478 264: ok 8479 264: ok 8480 264: ok 8481 264: ok 8482 264: ok 8483 264: ok 8484 264: ok 8485 264: ok 8486 264: ok 8487 264: ok 8488 264: ok 8489 264: ok 8490 264: ok 8491 264: ok 8492 264: ok 8493 264: ok 8494 264: ok 8495 264: ok 8496 264: ok 8497 264: ok 8498 264: ok 8499 264: ok 8500 264: ok 8501 264: ok 8502 264: ok 8503 264: ok 8504 264: ok 8505 264: ok 8506 264: ok 8507 264: ok 8508 264: ok 8509 264: ok 8510 264: ok 8511 264: ok 8512 264: ok 8513 264: ok 8514 264: ok 8515 264: ok 8516 264: ok 8517 264: ok 8518 264: ok 8519 264: ok 8520 264: ok 8521 264: ok 8522 264: ok 8523 264: ok 8524 264: ok 8525 264: ok 8526 264: ok 8527 264: ok 8528 264: ok 8529 264: ok 8530 264: ok 8531 264: ok 8532 264: ok 8533 264: ok 8534 264: ok 8535 264: ok 8536 264: ok 8537 264: ok 8538 264: ok 8539 264: ok 8540 264: ok 8541 264: ok 8542 264: ok 8543 264: ok 8544 264: ok 8545 264: ok 8546 264: ok 8547 264: ok 8548 264: ok 8549 264: ok 8550 264: ok 8551 264: ok 8552 264: ok 8553 264: ok 8554 264: ok 8555 264: ok 8556 264: ok 8557 264: ok 8558 264: ok 8559 264: ok 8560 264: ok 8561 264: ok 8562 264: ok 8563 264: ok 8564 264: ok 8565 264: ok 8566 264: ok 8567 264: ok 8568 264: ok 8569 264: ok 8570 264: ok 8571 264: ok 8572 264: ok 8573 264: ok 8574 264: ok 8575 264: ok 8576 264: ok 8577 264: ok 8578 264: ok 8579 264: ok 8580 264: ok 8581 264: ok 8582 264: ok 8583 264: ok 8584 264: ok 8585 264: ok 8586 264: ok 8587 264: ok 8588 264: ok 8589 264: ok 8590 264: ok 8591 264: ok 8592 264: ok 8593 264: ok 8594 264: ok 8595 264: ok 8596 264: ok 8597 264: ok 8598 264: ok 8599 264: ok 8600 264: ok 8601 264: ok 8602 264: ok 8603 264: ok 8604 264: ok 8605 264: ok 8606 264: ok 8607 264: ok 8608 264: ok 8609 264: ok 8610 264: ok 8611 264: ok 8612 264: ok 8613 264: ok 8614 264: ok 8615 264: ok 8616 264: ok 8617 264: ok 8618 264: ok 8619 264: ok 8620 264: ok 8621 264: ok 8622 264: ok 8623 264: ok 8624 264: ok 8625 264: ok 8626 264: ok 8627 264: ok 8628 264: ok 8629 264: ok 8630 264: ok 8631 264: ok 8632 264: ok 8633 264: ok 8634 264: ok 8635 264: ok 8636 264: ok 8637 264: ok 8638 264: ok 8639 264: ok 8640 264: ok 8641 264: ok 8642 264: ok 8643 264: ok 8644 264: ok 8645 264: ok 8646 264: ok 8647 264: ok 8648 264: ok 8649 264: ok 8650 264: ok 8651 264: ok 8652 264: ok 8653 264: ok 8654 264: ok 8655 264: ok 8656 264: ok 8657 264: ok 8658 264: ok 8659 264: ok 8660 264: ok 8661 264: ok 8662 264: ok 8663 264: ok 8664 264: ok 8665 264: ok 8666 264: ok 8667 264: ok 8668 264: ok 8669 264: ok 8670 264: ok 8671 264: ok 8672 264: ok 8673 264: ok 8674 264: ok 8675 264: ok 8676 264: ok 8677 264: ok 8678 264: ok 8679 264: ok 8680 264: ok 8681 264: ok 8682 264: ok 8683 264: ok 8684 264: ok 8685 264: ok 8686 264: ok 8687 264: ok 8688 264: ok 8689 264: ok 8690 264: ok 8691 264: ok 8692 264: ok 8693 264: ok 8694 264: ok 8695 264: ok 8696 264: ok 8697 264: ok 8698 264: ok 8699 264: ok 8700 264: ok 8701 264: ok 8702 264: ok 8703 264: ok 8704 264: ok 8705 264: ok 8706 264: ok 8707 264: ok 8708 264: ok 8709 264: ok 8710 264: ok 8711 264: ok 8712 264: ok 8713 264: ok 8714 264: ok 8715 264: ok 8716 264: ok 8717 264: ok 8718 264: ok 8719 264: ok 8720 264: ok 8721 264: ok 8722 264: ok 8723 264: ok 8724 264: ok 8725 264: ok 8726 264: ok 8727 264: ok 8728 264: ok 8729 264: ok 8730 264: ok 8731 264: ok 8732 264: ok 8733 264: ok 8734 264: ok 8735 264: ok 8736 264: ok 8737 264: ok 8738 264: ok 8739 264: ok 8740 264: ok 8741 264: ok 8742 264: ok 8743 264: ok 8744 264: ok 8745 264: ok 8746 264: ok 8747 264: ok 8748 264: ok 8749 264: ok 8750 264: ok 8751 264: ok 8752 264: ok 8753 264: ok 8754 264: ok 8755 264: ok 8756 264: ok 8757 264: ok 8758 264: ok 8759 264: ok 8760 264: ok 8761 264: ok 8762 264: ok 8763 264: ok 8764 264: ok 8765 264: ok 8766 264: ok 8767 264: ok 8768 264: ok 8769 264: ok 8770 264: ok 8771 264: ok 8772 264: ok 8773 264: ok 8774 264: ok 8775 264: ok 8776 264: ok 8777 264: ok 8778 264: ok 8779 264: ok 8780 264: ok 8781 264: ok 8782 264: ok 8783 264: ok 8784 264: ok 8785 264: ok 8786 264: ok 8787 264: ok 8788 264: ok 8789 264: ok 8790 264: ok 8791 264: ok 8792 264: ok 8793 264: ok 8794 264: ok 8795 264: ok 8796 264: ok 8797 264: ok 8798 264: ok 8799 264: ok 8800 264: ok 8801 264: ok 8802 264: ok 8803 264: ok 8804 264: ok 8805 264: ok 8806 264: ok 8807 264: ok 8808 264: ok 8809 264: ok 8810 264: ok 8811 264: ok 8812 264: ok 8813 264: ok 8814 264: ok 8815 264: ok 8816 264: ok 8817 264: ok 8818 264: ok 8819 264: ok 8820 264: ok 8821 264: ok 8822 264: ok 8823 264: ok 8824 264: ok 8825 264: ok 8826 264: ok 8827 264: ok 8828 264: ok 8829 264: ok 8830 264: ok 8831 264: ok 8832 264: ok 8833 264: ok 8834 264: ok 8835 264: ok 8836 264: ok 8837 264: ok 8838 264: ok 8839 264: ok 8840 264: ok 8841 264: ok 8842 264: ok 8843 264: ok 8844 264: ok 8845 264: ok 8846 264: ok 8847 264: ok 8848 264: ok 8849 264: ok 8850 264: ok 8851 264: ok 8852 264: ok 8853 264: ok 8854 264: ok 8855 264: ok 8856 264: ok 8857 264: ok 8858 264: ok 8859 264: ok 8860 264: ok 8861 264: ok 8862 264: ok 8863 264: ok 8864 264: ok 8865 264: ok 8866 264: ok 8867 264: ok 8868 264: ok 8869 264: ok 8870 264: ok 8871 264: ok 8872 264: ok 8873 264: ok 8874 264: ok 8875 264: ok 8876 264: ok 8877 264: ok 8878 264: ok 8879 264: ok 8880 264: ok 8881 264: ok 8882 264: ok 8883 264: ok 8884 264: ok 8885 264: ok 8886 264: ok 8887 264: ok 8888 264: ok 8889 264: ok 8890 264: ok 8891 264: ok 8892 264: ok 8893 264: ok 8894 264: ok 8895 264: ok 8896 264: ok 8897 264: ok 8898 264: ok 8899 264: ok 8900 264: ok 8901 264: ok 8902 264: ok 8903 264: ok 8904 264: ok 8905 264: ok 8906 264: ok 8907 264: ok 8908 264: ok 8909 264: ok 8910 264: ok 8911 264: ok 8912 264: ok 8913 264: ok 8914 264: ok 8915 264: ok 8916 264: ok 8917 264: ok 8918 264: ok 8919 264: ok 8920 264: ok 8921 264: ok 8922 264: ok 8923 264: ok 8924 264: ok 8925 264: ok 8926 264: ok 8927 264: ok 8928 264: ok 8929 264: ok 8930 264: ok 8931 264: ok 8932 264: ok 8933 264: ok 8934 264: ok 8935 264: ok 8936 264: ok 8937 264: ok 8938 264: ok 8939 264: ok 8940 264: ok 8941 264: ok 8942 264: ok 8943 264: ok 8944 264: ok 8945 264: ok 8946 264: ok 8947 264: ok 8948 264: ok 8949 264: ok 8950 264: ok 8951 264: ok 8952 264: ok 8953 264: ok 8954 264: ok 8955 264: ok 8956 264: ok 8957 264: ok 8958 264: ok 8959 264: ok 8960 264: ok 8961 264: ok 8962 264: ok 8963 264: ok 8964 264: ok 8965 264: ok 8966 264: ok 8967 264: ok 8968 264: ok 8969 264: ok 8970 264: ok 8971 264: ok 8972 264: ok 8973 264: ok 8974 264: ok 8975 264: ok 8976 264: ok 8977 264: ok 8978 264: ok 8979 264: ok 8980 264: ok 8981 264: ok 8982 264: ok 8983 264: ok 8984 264: ok 8985 264: ok 8986 264: ok 8987 264: ok 8988 264: ok 8989 264: ok 8990 264: ok 8991 264: ok 8992 264: ok 8993 264: ok 8994 264: ok 8995 264: ok 8996 264: ok 8997 264: ok 8998 264: ok 8999 264: ok 9000 264: ok 9001 264: ok 9002 264: ok 9003 264: ok 9004 264: ok 9005 264: ok 9006 264: ok 9007 264: ok 9008 264: ok 9009 264: ok 9010 264: ok 9011 264: ok 9012 264: ok 9013 264: ok 9014 264: ok 9015 264: ok 9016 264: ok 9017 264: ok 9018 264: ok 9019 264: ok 9020 264: ok 9021 264: ok 9022 264: ok 9023 264: ok 9024 264: ok 9025 264: ok 9026 264: ok 9027 264: ok 9028 264: ok 9029 264: ok 9030 264: ok 9031 264: ok 9032 264: ok 9033 264: ok 9034 264: ok 9035 264: ok 9036 264: ok 9037 264: ok 9038 264: ok 9039 264: ok 9040 264: ok 9041 264: ok 9042 264: ok 9043 264: ok 9044 264: ok 9045 264: ok 9046 264: ok 9047 264: ok 9048 264: ok 9049 264: ok 9050 264: ok 9051 264: ok 9052 264: ok 9053 264: ok 9054 264: ok 9055 264: ok 9056 264: ok 9057 264: ok 9058 264: ok 9059 264: ok 9060 264: ok 9061 264: ok 9062 264: ok 9063 264: ok 9064 264: ok 9065 264: ok 9066 264: ok 9067 264: ok 9068 264: ok 9069 264: ok 9070 264: ok 9071 264: ok 9072 264: ok 9073 264: ok 9074 264: ok 9075 264: ok 9076 264: ok 9077 264: ok 9078 264: ok 9079 264: ok 9080 264: ok 9081 264: ok 9082 264: ok 9083 264: ok 9084 264: ok 9085 264: ok 9086 264: ok 9087 264: ok 9088 264: ok 9089 264: ok 9090 264: ok 9091 264: ok 9092 264: ok 9093 264: ok 9094 264: ok 9095 264: ok 9096 264: ok 9097 264: ok 9098 264: ok 9099 264: ok 9100 264: ok 9101 264: ok 9102 264: ok 9103 264: ok 9104 264: ok 9105 264: ok 9106 264: ok 9107 264: ok 9108 264: ok 9109 264: ok 9110 264: ok 9111 264: ok 9112 264: ok 9113 264: ok 9114 264: ok 9115 264: ok 9116 264: ok 9117 264: ok 9118 264: ok 9119 264: ok 9120 264: ok 9121 264: ok 9122 264: ok 9123 264: ok 9124 264: ok 9125 264: ok 9126 264: ok 9127 264: ok 9128 264: ok 9129 264: ok 9130 264: ok 9131 264: ok 9132 264: ok 9133 264: ok 9134 264: ok 9135 264: ok 9136 264: ok 9137 264: ok 9138 264: ok 9139 264: ok 9140 264: ok 9141 264: ok 9142 264: ok 9143 264: ok 9144 264: ok 9145 264: ok 9146 264: ok 9147 264: ok 9148 264: ok 9149 264: ok 9150 264: ok 9151 264: ok 9152 264: ok 9153 264: ok 9154 264: ok 9155 264: ok 9156 264: ok 9157 264: ok 9158 264: ok 9159 264: ok 9160 264: ok 9161 264: ok 9162 264: ok 9163 264: ok 9164 264: ok 9165 264: ok 9166 264: ok 9167 264: ok 9168 264: ok 9169 264: ok 9170 264: ok 9171 264: ok 9172 264: ok 9173 264: ok 9174 264: ok 9175 264: ok 9176 264: ok 9177 264: ok 9178 264: ok 9179 264: ok 9180 264: ok 9181 264: ok 9182 264: ok 9183 264: ok 9184 264: ok 9185 264: ok 9186 264: ok 9187 264: ok 9188 264: ok 9189 264: ok 9190 264: ok 9191 264: ok 9192 264: ok 9193 264: ok 9194 264: ok 9195 264: ok 9196 264: ok 9197 264: ok 9198 264: ok 9199 264: ok 9200 264: ok 9201 264: ok 9202 264: ok 9203 264: ok 9204 264: ok 9205 264: ok 9206 264: ok 9207 264: ok 9208 264: ok 9209 264: ok 9210 264: ok 9211 264: ok 9212 264: ok 9213 264: ok 9214 264: ok 9215 264: ok 9216 264: ok 9217 264: ok 9218 264: ok 9219 264: ok 9220 264: ok 9221 264: ok 9222 264: ok 9223 264: ok 9224 264: ok 9225 264: ok 9226 264: ok 9227 264: ok 9228 264: ok 9229 264: ok 9230 264: ok 9231 264: ok 9232 264: ok 9233 264: ok 9234 264: ok 9235 264: ok 9236 264: ok 9237 264: ok 9238 264: ok 9239 264: ok 9240 264: ok 9241 264: ok 9242 264: ok 9243 264: ok 9244 264: ok 9245 264: ok 9246 264: ok 9247 264: ok 9248 264: ok 9249 264: ok 9250 264: ok 9251 264: ok 9252 264: ok 9253 264: ok 9254 264: ok 9255 264: ok 9256 264: ok 9257 264: ok 9258 264: ok 9259 264: ok 9260 264: ok 9261 264: ok 9262 264: ok 9263 264: ok 9264 264: ok 9265 264: ok 9266 264: ok 9267 264: ok 9268 264: ok 9269 264: ok 9270 264: ok 9271 264: ok 9272 264: ok 9273 264: ok 9274 264: ok 9275 264: ok 9276 264: ok 9277 264: ok 9278 264: ok 9279 264: ok 9280 264: ok 9281 264: ok 9282 264: ok 9283 264: ok 9284 264: ok 9285 264: ok 9286 264: ok 9287 264: ok 9288 264: ok 9289 264: ok 9290 264: ok 9291 264: ok 9292 264: ok 9293 264: ok 9294 264: ok 9295 264: ok 9296 264: ok 9297 264: ok 9298 264: ok 9299 264: ok 9300 264: ok 9301 264: ok 9302 264: ok 9303 264: ok 9304 264: ok 9305 264: ok 9306 264: ok 9307 264: ok 9308 264: ok 9309 264: ok 9310 264: ok 9311 264: ok 9312 264: ok 9313 264: ok 9314 264: ok 9315 264: ok 9316 264: ok 9317 264: ok 9318 264: ok 9319 264: ok 9320 264: ok 9321 264: ok 9322 264: ok 9323 264: ok 9324 264: ok 9325 264: ok 9326 264: ok 9327 264: ok 9328 264: ok 9329 264: ok 9330 264: ok 9331 264: ok 9332 264: ok 9333 264: ok 9334 264: ok 9335 264: ok 9336 264: ok 9337 264: ok 9338 264: ok 9339 264: ok 9340 264: ok 9341 264: ok 9342 264: ok 9343 264: ok 9344 264: ok 9345 264: ok 9346 264: ok 9347 264: ok 9348 264: ok 9349 264: ok 9350 264: ok 9351 264: ok 9352 264: ok 9353 264: ok 9354 264: ok 9355 264: ok 9356 264: ok 9357 264: ok 9358 264: ok 9359 264: ok 9360 264: ok 9361 264: ok 9362 264: ok 9363 264: ok 9364 264: ok 9365 264: ok 9366 264: ok 9367 264: ok 9368 264: ok 9369 264: ok 9370 264: ok 9371 264: ok 9372 264: ok 9373 264: ok 9374 264: ok 9375 264: ok 9376 264: ok 9377 264: ok 9378 264: ok 9379 264: ok 9380 264: ok 9381 264: ok 9382 264: ok 9383 264: ok 9384 264: ok 9385 264: ok 9386 264: ok 9387 264: ok 9388 264: ok 9389 264: ok 9390 264: ok 9391 264: ok 9392 264: ok 9393 264: ok 9394 264: ok 9395 264: ok 9396 264: ok 9397 264: ok 9398 264: ok 9399 264: ok 9400 264: ok 9401 264: ok 9402 264: ok 9403 264: ok 9404 264: ok 9405 264: ok 9406 264: ok 9407 264: ok 9408 264: ok 9409 264: ok 9410 264: ok 9411 264: ok 9412 264: ok 9413 264: ok 9414 264: ok 9415 264: ok 9416 264: ok 9417 264: ok 9418 264: ok 9419 264: ok 9420 264: ok 9421 264: ok 9422 264: ok 9423 264: ok 9424 264: ok 9425 264: ok 9426 264: ok 9427 264: ok 9428 264: ok 9429 264: ok 9430 264: ok 9431 264: ok 9432 264: ok 9433 264: ok 9434 264: ok 9435 264: ok 9436 264: ok 9437 264: ok 9438 264: ok 9439 264: ok 9440 264: ok 9441 264: ok 9442 264: ok 9443 264: ok 9444 264: ok 9445 264: ok 9446 264: ok 9447 264: ok 9448 264: ok 9449 264: ok 9450 264: ok 9451 264: ok 9452 264: ok 9453 264: ok 9454 264: ok 9455 264: ok 9456 264: ok 9457 264: ok 9458 264: ok 9459 264: ok 9460 264: ok 9461 264: ok 9462 264: ok 9463 264: ok 9464 264: ok 9465 264: ok 9466 264: ok 9467 264: ok 9468 264: ok 9469 264: ok 9470 264: ok 9471 264: ok 9472 264: ok 9473 264: ok 9474 264: ok 9475 264: ok 9476 264: ok 9477 264: ok 9478 264: ok 9479 264: ok 9480 264: ok 9481 264: ok 9482 264: ok 9483 264: ok 9484 264: ok 9485 264: ok 9486 264: ok 9487 264: ok 9488 264: ok 9489 264: ok 9490 264: ok 9491 264: ok 9492 264: ok 9493 264: ok 9494 264: ok 9495 264: ok 9496 264: ok 9497 264: ok 9498 264: ok 9499 264: ok 9500 264: ok 9501 264: ok 9502 264: ok 9503 264: ok 9504 264: ok 9505 264: ok 9506 264: ok 9507 264: ok 9508 264: ok 9509 264: ok 9510 264: ok 9511 264: ok 9512 264: ok 9513 264: ok 9514 264: ok 9515 264: ok 9516 264: ok 9517 264: ok 9518 264: ok 9519 264: ok 9520 264: ok 9521 264: ok 9522 264: ok 9523 264: ok 9524 264: ok 9525 264: ok 9526 264: ok 9527 264: ok 9528 264: ok 9529 264: ok 9530 264: ok 9531 264: ok 9532 264: ok 9533 264: ok 9534 264: ok 9535 264: ok 9536 264: ok 9537 264: ok 9538 264: ok 9539 264: ok 9540 264: ok 9541 264: ok 9542 264: ok 9543 264: ok 9544 264: ok 9545 264: ok 9546 264: ok 9547 264: ok 9548 264: ok 9549 264: ok 9550 264: ok 9551 264: ok 9552 264: ok 9553 264: ok 9554 264: ok 9555 264: ok 9556 264: ok 9557 264: ok 9558 264: ok 9559 264: ok 9560 264: ok 9561 264: ok 9562 264: ok 9563 264: ok 9564 264: ok 9565 264: ok 9566 264: ok 9567 264: ok 9568 264: ok 9569 264: ok 9570 264: ok 9571 264: ok 9572 264: ok 9573 264: ok 9574 264: ok 9575 264: ok 9576 264: ok 9577 264: ok 9578 264: ok 9579 264: ok 9580 264: ok 9581 264: ok 9582 264: ok 9583 264: ok 9584 264: ok 9585 264: ok 9586 264: ok 9587 264: ok 9588 264: ok 9589 264: ok 9590 264: ok 9591 264: ok 9592 264: ok 9593 264: ok 9594 264: ok 9595 264: ok 9596 264: ok 9597 264: ok 9598 264: ok 9599 264: ok 9600 264: ok 9601 264: ok 9602 264: ok 9603 264: ok 9604 264: ok 9605 264: ok 9606 264: ok 9607 264: ok 9608 264: ok 9609 264: ok 9610 264: ok 9611 264: ok 9612 264: ok 9613 264: ok 9614 264: ok 9615 264: ok 9616 264: ok 9617 264: ok 9618 264: ok 9619 264: ok 9620 264: ok 9621 264: ok 9622 264: ok 9623 264: ok 9624 264: ok 9625 264: ok 9626 264: ok 9627 264: ok 9628 264: ok 9629 264: ok 9630 264: ok 9631 264: ok 9632 264: ok 9633 264: ok 9634 264: ok 9635 264: ok 9636 264: ok 9637 264: ok 9638 264: ok 9639 264: ok 9640 264: ok 9641 264: ok 9642 264: ok 9643 264: ok 9644 264: ok 9645 264: ok 9646 264: ok 9647 264: ok 9648 264: ok 9649 264: ok 9650 264: ok 9651 264: ok 9652 264: ok 9653 264: ok 9654 264: ok 9655 264: ok 9656 264: ok 9657 264: ok 9658 264: ok 9659 264: ok 9660 264: ok 9661 264: ok 9662 264: ok 9663 264: ok 9664 264: ok 9665 264: ok 9666 264: ok 9667 264: ok 9668 264: ok 9669 264: ok 9670 264: ok 9671 264: ok 9672 264: ok 9673 264: ok 9674 264: ok 9675 264: ok 9676 264: ok 9677 264: ok 9678 264: ok 9679 264: ok 9680 264: ok 9681 264: ok 9682 264: ok 9683 264: ok 9684 264: ok 9685 264: ok 9686 264: ok 9687 264: ok 9688 264: ok 9689 264: ok 9690 264: ok 9691 264: ok 9692 264: ok 9693 264: ok 9694 264: ok 9695 264: ok 9696 264: ok 9697 264: ok 9698 264: ok 9699 264: ok 9700 264: ok 9701 264: ok 9702 264: ok 9703 264: ok 9704 264: ok 9705 264: ok 9706 264: ok 9707 264: ok 9708 264: ok 9709 264: ok 9710 264: ok 9711 264: ok 9712 264: ok 9713 264: ok 9714 264: ok 9715 264: ok 9716 264: ok 9717 264: ok 9718 264: ok 9719 264: ok 9720 264: ok 9721 264: ok 9722 264: ok 9723 264: ok 9724 264: ok 9725 264: ok 9726 264: ok 9727 264: ok 9728 264: ok 9729 264: ok 9730 264: ok 9731 264: ok 9732 264: ok 9733 264: ok 9734 264: ok 9735 264: ok 9736 264: ok 9737 264: ok 9738 264: ok 9739 264: ok 9740 264: ok 9741 264: ok 9742 264: ok 9743 264: ok 9744 264: ok 9745 264: ok 9746 264: ok 9747 264: ok 9748 264: ok 9749 264: ok 9750 264: ok 9751 264: ok 9752 264: ok 9753 264: ok 9754 264: ok 9755 264: ok 9756 264: ok 9757 264: ok 9758 264: ok 9759 264: ok 9760 264: ok 9761 264: ok 9762 264: ok 9763 264: ok 9764 264: ok 9765 264: ok 9766 264: ok 9767 264: ok 9768 264: ok 9769 264: ok 9770 264: ok 9771 264: ok 9772 264: ok 9773 264: ok 9774 264: ok 9775 264: ok 9776 264: ok 9777 264: ok 9778 264: ok 9779 264: ok 9780 264: ok 9781 264: ok 9782 264: ok 9783 264: ok 9784 264: ok 9785 264: ok 9786 264: ok 9787 264: ok 9788 264: ok 9789 264: ok 9790 264: ok 9791 264: ok 9792 264: ok 9793 264: ok 9794 264: ok 9795 264: ok 9796 264: ok 9797 264: ok 9798 264: ok 9799 264: ok 9800 264: ok 9801 264: ok 9802 264: ok 9803 264: ok 9804 264: ok 9805 264: ok 9806 264: ok 9807 264: ok 9808 264: ok 9809 264: ok 9810 264: ok 9811 264: ok 9812 264: ok 9813 264: ok 9814 264: ok 9815 264: ok 9816 264: ok 9817 264: ok 9818 264: ok 9819 264: ok 9820 264: ok 9821 264: ok 9822 264: ok 9823 264: ok 9824 264: ok 9825 264: ok 9826 264: ok 9827 264: ok 9828 264: ok 9829 264: ok 9830 264: ok 9831 264: ok 9832 264: ok 9833 264: ok 9834 264: ok 9835 264: ok 9836 264: ok 9837 264: ok 9838 264: ok 9839 264: ok 9840 264: ok 9841 264: ok 9842 264: ok 9843 264: ok 9844 264: ok 9845 264: ok 9846 264: ok 9847 264: ok 9848 264: ok 9849 264: ok 9850 264: ok 9851 264: ok 9852 264: ok 9853 264: ok 9854 264: ok 9855 264: ok 9856 264: ok 9857 264: ok 9858 264: ok 9859 264: ok 9860 264: ok 9861 264: ok 9862 264: ok 9863 264: ok 9864 264: ok 9865 264: ok 9866 264: ok 9867 264: ok 9868 264: ok 9869 264: ok 9870 264: ok 9871 264: ok 9872 264: ok 9873 264: ok 9874 264: ok 9875 264: ok 9876 264: ok 9877 264: ok 9878 264: ok 9879 264: ok 9880 264: ok 9881 264: ok 9882 264: ok 9883 264: ok 9884 264: ok 9885 264: ok 9886 264: ok 9887 264: ok 9888 264: ok 9889 264: ok 9890 264: ok 9891 264: ok 9892 264: ok 9893 264: ok 9894 264: ok 9895 264: ok 9896 264: ok 9897 264: ok 9898 264: ok 9899 264: ok 9900 264: ok 9901 264: ok 9902 264: ok 9903 264: ok 9904 264: ok 9905 264: ok 9906 264: ok 9907 264: ok 9908 264: ok 9909 264: ok 9910 264: ok 9911 264: ok 9912 264: ok 9913 264: ok 9914 264: ok 9915 264: ok 9916 264: ok 9917 264: ok 9918 264: ok 9919 264: ok 9920 264: ok 9921 264: ok 9922 264: ok 9923 264: ok 9924 264: ok 9925 264: ok 9926 264: ok 9927 264: ok 9928 264: ok 9929 264: ok 9930 264: ok 9931 264: ok 9932 264: ok 9933 264: ok 9934 264: ok 9935 264: ok 9936 264: ok 9937 264: ok 9938 264: ok 9939 264: ok 9940 264: ok 9941 264: ok 9942 264: ok 9943 264: ok 9944 264: ok 9945 264: ok 9946 264: ok 9947 264: ok 9948 264: ok 9949 264: ok 9950 264: ok 9951 264: ok 9952 264: ok 9953 264: ok 9954 264: ok 9955 264: ok 9956 264: ok 9957 264: ok 9958 264: ok 9959 264: ok 9960 264: ok 9961 264: ok 9962 264: ok 9963 264: ok 9964 264: ok 9965 264: ok 9966 264: ok 9967 264: ok 9968 264: ok 9969 264: ok 9970 264: ok 9971 264: ok 9972 264: ok 9973 264: ok 9974 264: ok 9975 264: ok 9976 264: ok 9977 264: ok 9978 264: ok 9979 264: ok 9980 264: ok 9981 264: ok 9982 264: ok 9983 264: ok 9984 264: ok 9985 264: ok 9986 264: ok 9987 264: ok 9988 264: ok 9989 264: ok 9990 264: ok 9991 264: ok 9992 264: ok 9993 264: ok 9994 264: ok 9995 264: ok 9996 264: ok 9997 264: ok 9998 264: ok 9999 264: ok 10000 264: ok 10001 264: ok 10002 264: ok 10003 264: ok 10004 264: ok 10005 264: ok 10006 264: ok 10007 264: ok 10008 264: ok 10009 264: ok 10010 264: ok 10011 264: ok 10012 264: ok 10013 264: ok 10014 264: ok 10015 264: ok 10016 264: ok 10017 264: ok 10018 264: ok 10019 264: ok 10020 264: ok 10021 264: ok 10022 264: ok 10023 264: ok 10024 264: ok 10025 264: ok 10026 264: ok 10027 264: ok 10028 264: ok 10029 264: ok 10030 264: ok 10031 264: ok 10032 264: ok 10033 264: ok 10034 264: ok 10035 264: ok 10036 264: ok 10037 264: ok 10038 264: ok 10039 264: ok 10040 264: ok 10041 264: ok 10042 264: ok 10043 264: ok 10044 264: ok 10045 264: ok 10046 264: ok 10047 264: ok 10048 264: ok 10049 264: ok 10050 264: ok 10051 264: ok 10052 264: ok 10053 264: ok 10054 264: ok 10055 264: ok 10056 264: ok 10057 264: ok 10058 264: ok 10059 264: ok 10060 264: ok 10061 264: ok 10062 264: ok 10063 264: ok 10064 264: ok 10065 264: ok 10066 264: ok 10067 264: ok 10068 264: ok 10069 264: ok 10070 264: ok 10071 264: ok 10072 264: ok 10073 264: ok 10074 264: ok 10075 264: ok 10076 264: ok 10077 264: ok 10078 264: ok 10079 264: ok 10080 264: ok 10081 264: ok 10082 264: ok 10083 264: ok 10084 264: ok 10085 264: ok 10086 264: ok 10087 264: ok 10088 264: ok 10089 264: ok 10090 264: ok 10091 264: ok 10092 264: ok 10093 264: ok 10094 264: ok 10095 264: ok 10096 264: ok 10097 264: ok 10098 264: ok 10099 264: ok 10100 264: ok 10101 264: ok 10102 264: ok 10103 264: ok 10104 264: ok 10105 264: ok 10106 264: ok 10107 264: ok 10108 264: ok 10109 264: ok 10110 264: ok 10111 264: ok 10112 264: ok 10113 264: ok 10114 264: ok 10115 264: ok 10116 264: ok 10117 264: ok 10118 264: ok 10119 264: ok 10120 264: ok 10121 264: ok 10122 264: ok 10123 264: ok 10124 264: ok 10125 264: ok 10126 264: ok 10127 264: ok 10128 264: ok 10129 264: ok 10130 264: ok 10131 264: ok 10132 264: ok 10133 264: ok 10134 264: ok 10135 264: ok 10136 264: ok 10137 264: ok 10138 264: ok 10139 264: ok 10140 264: ok 10141 264: ok 10142 264: ok 10143 264: ok 10144 264: ok 10145 264: ok 10146 264: ok 10147 264: ok 10148 264: ok 10149 264: ok 10150 264: ok 10151 264: ok 10152 264: ok 10153 264: ok 10154 264: ok 10155 264: ok 10156 264: ok 10157 264: ok 10158 264: ok 10159 264: ok 10160 264: ok 10161 264: ok 10162 264: ok 10163 264: ok 10164 264: ok 10165 264: ok 10166 264: ok 10167 264: ok 10168 264: ok 10169 264: ok 10170 264: ok 10171 264: ok 10172 264: ok 10173 264: ok 10174 264: ok 10175 264: ok 10176 264: ok 10177 264: ok 10178 264: ok 10179 264: ok 10180 264: ok 10181 264: ok 10182 264: ok 10183 264: ok 10184 264: ok 10185 264: ok 10186 264: ok 10187 264: ok 10188 264: ok 10189 264: ok 10190 264: ok 10191 264: ok 10192 264: ok 10193 264: ok 10194 264: ok 10195 264: ok 10196 264: ok 10197 264: ok 10198 264: ok 10199 264: ok 10200 264: ok 10201 264: ok 10202 264: ok 10203 264: ok 10204 264: ok 10205 264: ok 10206 264: ok 10207 264: ok 10208 264: ok 10209 264: ok 10210 264: ok 10211 264: ok 10212 264: ok 10213 264: ok 10214 264: ok 10215 264: ok 10216 264: ok 10217 264: ok 10218 264: ok 10219 264: ok 10220 264: ok 10221 264: ok 10222 264: ok 10223 264: ok 10224 264: ok 10225 264: ok 10226 264: ok 10227 264: ok 10228 264: ok 10229 264: ok 10230 264: ok 10231 264: ok 10232 264: ok 10233 264: ok 10234 264: ok 10235 264: ok 10236 264: ok 10237 264: ok 10238 264: ok 10239 264: ok 10240 264: ok 10241 264: ok 10242 264: ok 10243 264: ok 10244 264: ok 10245 264: ok 10246 264: ok 10247 264: ok 10248 264: ok 10249 264: ok 10250 264: ok 10251 264: ok 10252 264: ok 10253 264: ok 10254 264: ok 10255 264: ok 10256 264: ok 10257 264: ok 10258 264: ok 10259 264: ok 10260 264: ok 10261 264: ok 10262 264: ok 10263 264: ok 10264 264: ok 10265 264: ok 10266 264: ok 10267 264: ok 10268 264: ok 10269 264: ok 10270 264: ok 10271 264: ok 10272 264: ok 10273 264: ok 10274 264: ok 10275 264: ok 10276 264: ok 10277 264: ok 10278 264: ok 10279 264: ok 10280 264: ok 10281 264: ok 10282 264: ok 10283 264: ok 10284 264: ok 10285 264: ok 10286 264: ok 10287 264: ok 10288 264: ok 10289 264: ok 10290 264: ok 10291 264: ok 10292 264: ok 10293 264: ok 10294 264: ok 10295 264: ok 10296 264: ok 10297 264: ok 10298 264: ok 10299 264: ok 10300 264: ok 10301 264: ok 10302 264: ok 10303 264: ok 10304 264: ok 10305 264: ok 10306 264: ok 10307 264: ok 10308 264: ok 10309 264: ok 10310 264: ok 10311 264: ok 10312 264: ok 10313 264: ok 10314 264: ok 10315 264: ok 10316 264: ok 10317 264: ok 10318 264: ok 10319 264: ok 10320 264: ok 10321 264: ok 10322 264: ok 10323 264: ok 10324 264: ok 10325 264: ok 10326 264: ok 10327 264: ok 10328 264: ok 10329 264: ok 10330 264: ok 10331 264: ok 10332 264: ok 10333 264: ok 10334 264: ok 10335 264: ok 10336 264: ok 10337 264: ok 10338 264: ok 10339 264: ok 10340 264: ok 10341 264: ok 10342 264: ok 10343 264: ok 10344 264: ok 10345 264: ok 10346 264: ok 10347 264: ok 10348 264: ok 10349 264: ok 10350 264: ok 10351 264: ok 10352 264: ok 10353 264: ok 10354 264: ok 10355 264: ok 10356 264: ok 10357 264: ok 10358 264: ok 10359 264: ok 10360 264: ok 10361 264: ok 10362 264: ok 10363 264: ok 10364 264: ok 10365 264: ok 10366 264: ok 10367 264: ok 10368 264: ok 10369 264: ok 10370 264: ok 10371 264: ok 10372 264: ok 10373 264: ok 10374 264: ok 10375 264: ok 10376 264: ok 10377 264: ok 10378 264: ok 10379 264: ok 10380 264: ok 10381 264: ok 10382 264: ok 10383 264: ok 10384 264: ok 10385 264: ok 10386 264: ok 10387 264: ok 10388 264: ok 10389 264: ok 10390 264: ok 10391 264: ok 10392 264: ok 10393 264: ok 10394 264: ok 10395 264: ok 10396 264: ok 10397 264: ok 10398 264: ok 10399 264: ok 10400 264: ok 10401 264: ok 10402 264: ok 10403 264: ok 10404 264: ok 10405 264: ok 10406 264: ok 10407 264: ok 10408 264: ok 10409 264: ok 10410 264: ok 10411 264: ok 10412 264: ok 10413 264: ok 10414 264: ok 10415 264: ok 10416 264: ok 10417 264: ok 10418 264: ok 10419 264: ok 10420 264: ok 10421 264: ok 10422 264: ok 10423 264: ok 10424 264: ok 10425 264: ok 10426 264: ok 10427 264: ok 10428 264: ok 10429 264: ok 10430 264: ok 10431 264: ok 10432 264: ok 10433 264: ok 10434 264: ok 10435 264: ok 10436 264: ok 10437 264: ok 10438 264: ok 10439 264: ok 10440 264: ok 10441 264: ok 10442 264: ok 10443 264: ok 10444 264: ok 10445 264: ok 10446 264: ok 10447 264: ok 10448 264: ok 10449 264: ok 10450 264: ok 10451 264: ok 10452 264: ok 10453 264: ok 10454 264: ok 10455 264: ok 10456 264: ok 10457 264: ok 10458 264: ok 10459 264: ok 10460 264: ok 10461 264: ok 10462 264: ok 10463 264: ok 10464 264: ok 10465 264: ok 10466 264: ok 10467 264: ok 10468 264: ok 10469 264: ok 10470 264: ok 10471 264: ok 10472 264: ok 10473 264: ok 10474 264: ok 10475 264: ok 10476 264: ok 10477 264: ok 10478 264: ok 10479 264: ok 10480 264: ok 10481 264: ok 10482 264: ok 10483 264: ok 10484 264: ok 10485 264: ok 10486 264: ok 10487 264: ok 10488 264: ok 10489 264: ok 10490 264: ok 10491 264: ok 10492 264: ok 10493 264: ok 10494 264: ok 10495 264: ok 10496 264: ok 10497 264: ok 10498 264: ok 10499 264: ok 10500 264: ok 10501 264: ok 10502 264: ok 10503 264: ok 10504 264: ok 10505 264: ok 10506 264: ok 10507 264: ok 10508 264: ok 10509 264: ok 10510 264: ok 10511 264: ok 10512 264: ok 10513 264: ok 10514 264: ok 10515 264: ok 10516 264: ok 10517 264: ok 10518 264: ok 10519 264: ok 10520 264: ok 10521 264: ok 10522 264: ok 10523 264: ok 10524 264: ok 10525 264: ok 10526 264: ok 10527 264: ok 10528 264: ok 10529 264: ok 10530 264: ok 10531 264: ok 10532 264: ok 10533 264: ok 10534 264: ok 10535 264: ok 10536 264: ok 10537 264: ok 10538 264: ok 10539 264: ok 10540 264: ok 10541 264: ok 10542 264: ok 10543 264: ok 10544 264: ok 10545 264: ok 10546 264: ok 10547 264: ok 10548 264: ok 10549 264: ok 10550 264: ok 10551 264: ok 10552 264: ok 10553 264: ok 10554 264: ok 10555 264: ok 10556 264: ok 10557 264: ok 10558 264: ok 10559 264: ok 10560 264: ok 10561 264: ok 10562 264: ok 10563 264: ok 10564 264: ok 10565 264: ok 10566 264: ok 10567 264: ok 10568 264: ok 10569 264: ok 10570 264: ok 10571 264: ok 10572 264: ok 10573 264: ok 10574 264: ok 10575 264: ok 10576 264: ok 10577 264: ok 10578 264: ok 10579 264: ok 10580 264: ok 10581 264: ok 10582 264: ok 10583 264: ok 10584 264: ok 10585 264: ok 10586 264: ok 10587 264: ok 10588 264: ok 10589 264: ok 10590 264: ok 10591 264: ok 10592 264: ok 10593 264: ok 10594 264: ok 10595 264: ok 10596 264: ok 10597 264: ok 10598 264: ok 10599 264: ok 10600 264: ok 10601 264: ok 10602 264: ok 10603 264: ok 10604 264: ok 10605 264: ok 10606 264: ok 10607 264: ok 10608 264: ok 10609 264: ok 10610 264: ok 10611 264: ok 10612 264: ok 10613 264: ok 10614 264: ok 10615 264: ok 10616 264: ok 10617 264: ok 10618 264: ok 10619 264: ok 10620 264: ok 10621 264: ok 10622 264: ok 10623 264: ok 10624 264: ok 10625 264: ok 10626 264: ok 10627 264: ok 10628 264: ok 10629 264: ok 10630 264: ok 10631 264: ok 10632 264: ok 10633 264: ok 10634 264: ok 10635 264: ok 10636 264: ok 10637 264: ok 10638 264: ok 10639 264: ok 10640 264: ok 10641 264: ok 10642 264: ok 10643 264: ok 10644 264: ok 10645 264: ok 10646 264: ok 10647 264: ok 10648 264: ok 10649 264: ok 10650 264: ok 10651 264: ok 10652 264: ok 10653 264: ok 10654 264: ok 10655 264: ok 10656 264: ok 10657 264: ok 10658 264: ok 10659 264: ok 10660 264: ok 10661 264: ok 10662 264: ok 10663 264: ok 10664 264: ok 10665 264: ok 10666 264: ok 10667 264: ok 10668 264: ok 10669 264: ok 10670 264: ok 10671 264: ok 10672 264: ok 10673 264: ok 10674 264: ok 10675 264: ok 10676 264: ok 10677 264: ok 10678 264: ok 10679 264: ok 10680 264: ok 10681 264: ok 10682 264: ok 10683 264: ok 10684 264: ok 10685 264: ok 10686 264: ok 10687 264: ok 10688 264: ok 10689 264: ok 10690 264: ok 10691 264: ok 10692 264: ok 10693 264: ok 10694 264: ok 10695 264: ok 10696 264: ok 10697 264: ok 10698 264: ok 10699 264: ok 10700 264: ok 10701 264: ok 10702 264: ok 10703 264: ok 10704 264: ok 10705 264: ok 10706 264: ok 10707 264: ok 10708 264: ok 10709 264: ok 10710 264: ok 10711 264: ok 10712 264: ok 10713 264: ok 10714 264: ok 10715 264: ok 10716 264: ok 10717 264: ok 10718 264: ok 10719 264: ok 10720 264: ok 10721 264: ok 10722 264: ok 10723 264: ok 10724 264: ok 10725 264: ok 10726 264: ok 10727 264: ok 10728 264: ok 10729 264: ok 10730 264: ok 10731 264: ok 10732 264: ok 10733 264: ok 10734 264: ok 10735 264: ok 10736 264: ok 10737 264: ok 10738 264: ok 10739 264: ok 10740 264: ok 10741 264: ok 10742 264: ok 10743 264: ok 10744 264: ok 10745 264: ok 10746 264: ok 10747 264: ok 10748 264: ok 10749 264: ok 10750 264: ok 10751 264: ok 10752 264: ok 10753 264: ok 10754 264: ok 10755 264: ok 10756 264: ok 10757 264: ok 10758 264: ok 10759 264: ok 10760 264: ok 10761 264: ok 10762 264: ok 10763 264: ok 10764 264: ok 10765 264: ok 10766 264: ok 10767 264: ok 10768 264: ok 10769 264: ok 10770 264: ok 10771 264: ok 10772 264: ok 10773 264: ok 10774 264: ok 10775 264: ok 10776 264: ok 10777 264: ok 10778 264: ok 10779 264: ok 10780 264: ok 10781 264: ok 10782 264: ok 10783 264: ok 10784 264: ok 10785 264: ok 10786 264: ok 10787 264: ok 10788 264: ok 10789 264: ok 10790 264: ok 10791 264: ok 10792 264: ok 10793 264: ok 10794 264: ok 10795 264: ok 10796 264: ok 10797 264: ok 10798 264: ok 10799 264: ok 10800 264: ok 10801 264: ok 10802 264: ok 10803 264: ok 10804 264: ok 10805 264: ok 10806 264: ok 10807 264: ok 10808 264: ok 10809 264: ok 10810 264: ok 10811 264: ok 10812 264: ok 10813 264: ok 10814 264: ok 10815 264: ok 10816 264: ok 10817 264: ok 10818 264: ok 10819 264: ok 10820 264: ok 10821 264: ok 10822 264: ok 10823 264: ok 10824 264: ok 10825 264: ok 10826 264: ok 10827 264: ok 10828 264: ok 10829 264: ok 10830 264: ok 10831 264: ok 10832 264: ok 10833 264: ok 10834 264: ok 10835 264: ok 10836 264: ok 10837 264: ok 10838 264: ok 10839 264: ok 10840 264: ok 10841 264: ok 10842 264: ok 10843 264: ok 10844 264: ok 10845 264: ok 10846 264: ok 10847 264: ok 10848 264: ok 10849 264: ok 10850 264: ok 10851 264: ok 10852 264: ok 10853 264: ok 10854 264: ok 10855 264: ok 10856 264: ok 10857 264: ok 10858 264: ok 10859 264: ok 10860 264: ok 10861 264: ok 10862 264: ok 10863 264: ok 10864 264: ok 10865 264: ok 10866 264: ok 10867 264: ok 10868 264: ok 10869 264: ok 10870 264: ok 10871 264: ok 10872 264: ok 10873 264: ok 10874 264: ok 10875 264: ok 10876 264: ok 10877 264: ok 10878 264: ok 10879 264: ok 10880 264: ok 10881 264: ok 10882 264: ok 10883 264: ok 10884 264: ok 10885 264: ok 10886 264: ok 10887 264: ok 10888 264: ok 10889 264: ok 10890 264: ok 10891 264: ok 10892 264: ok 10893 264: ok 10894 264: ok 10895 264: ok 10896 264: ok 10897 264: ok 10898 264: ok 10899 264: ok 10900 264: ok 10901 264: ok 10902 264: ok 10903 264: ok 10904 264: ok 10905 264: ok 10906 264: ok 10907 264: ok 10908 264: ok 10909 264: ok 10910 264: ok 10911 264: ok 10912 264: ok 10913 264: ok 10914 264: ok 10915 264: ok 10916 264: ok 10917 264: ok 10918 264: ok 10919 264: ok 10920 264: ok 10921 264: ok 10922 264: ok 10923 264: ok 10924 264: ok 10925 264: ok 10926 264: ok 10927 264: ok 10928 264: ok 10929 264: ok 10930 264: ok 10931 264: ok 10932 264: ok 10933 264: ok 10934 264: ok 10935 264: ok 10936 264: ok 10937 264: ok 10938 264: ok 10939 264: ok 10940 264: ok 10941 264: ok 10942 264: ok 10943 264: ok 10944 264: ok 10945 264: ok 10946 264: ok 10947 264: ok 10948 264: ok 10949 264: ok 10950 264: ok 10951 264: ok 10952 264: ok 10953 264: ok 10954 264: ok 10955 264: ok 10956 264: ok 10957 264: ok 10958 264: ok 10959 264: ok 10960 264: ok 10961 264: ok 10962 264: ok 10963 264: ok 10964 264: ok 10965 264: ok 10966 264: ok 10967 264: ok 10968 264: ok 10969 264: ok 10970 264: ok 10971 264: ok 10972 264: ok 10973 264: ok 10974 264: ok 10975 264: ok 10976 264: ok 10977 264: ok 10978 264: ok 10979 264: ok 10980 264: ok 10981 264: ok 10982 264: ok 10983 264: ok 10984 264: ok 10985 264: ok 10986 264: ok 10987 264: ok 10988 264: ok 10989 264: ok 10990 264: ok 10991 264: ok 10992 264: ok 10993 264: ok 10994 264: ok 10995 264: ok 10996 264: ok 10997 264: ok 10998 264: ok 10999 264: ok 11000 264: ok 11001 264: ok 11002 264: ok 11003 264: ok 11004 264: ok 11005 264: ok 11006 264: ok 11007 264: ok 11008 264: ok 11009 264: ok 11010 264: ok 11011 264: ok 11012 264: ok 11013 264: ok 11014 264: ok 11015 264: ok 11016 264: ok 11017 264: ok 11018 264: ok 11019 264: ok 11020 264: ok 11021 264: ok 11022 264: ok 11023 264: ok 11024 264: ok 11025 264: ok 11026 264: ok 11027 264: ok 11028 264: ok 11029 264: ok 11030 264: ok 11031 264: ok 11032 264: ok 11033 264: ok 11034 264: ok 11035 264: ok 11036 264: ok 11037 264: ok 11038 264: ok 11039 264: ok 11040 264: ok 11041 264: ok 11042 264: ok 11043 264: ok 11044 264: ok 11045 264: ok 11046 264: ok 11047 264: ok 11048 264: ok 11049 264: ok 11050 264: ok 11051 264: ok 11052 264: ok 11053 264: ok 11054 264: ok 11055 264: ok 11056 264: ok 11057 264: ok 11058 264: ok 11059 264: ok 11060 264: ok 11061 264: ok 11062 264: ok 11063 264: ok 11064 264: ok 11065 264: ok 11066 264: ok 11067 264: ok 11068 264: ok 11069 264: ok 11070 264: ok 11071 264: ok 11072 264: ok 11073 264: ok 11074 264: ok 11075 264: ok 11076 264: ok 11077 264: ok 11078 264: ok 11079 264: ok 11080 264: ok 11081 264: ok 11082 264: ok 11083 264: ok 11084 264: ok 11085 264: ok 11086 264: ok 11087 264: ok 11088 264: ok 11089 264: ok 11090 264: ok 11091 264: ok 11092 264: ok 11093 264: ok 11094 264: ok 11095 264: ok 11096 264: ok 11097 264: ok 11098 264: ok 11099 264: ok 11100 264: ok 11101 264: ok 11102 264: ok 11103 264: ok 11104 264: ok 11105 264: ok 11106 264: ok 11107 264: ok 11108 264: ok 11109 264: ok 11110 264: ok 11111 264: ok 11112 264: ok 11113 264: ok 11114 264: ok 11115 264: ok 11116 264: ok 11117 264: ok 11118 264: ok 11119 264: ok 11120 264: ok 11121 264: ok 11122 264: ok 11123 264: ok 11124 264: ok 11125 264: ok 11126 264: ok 11127 264: ok 11128 264: ok 11129 264: ok 11130 264: ok 11131 264: ok 11132 264: ok 11133 264: ok 11134 264: ok 11135 264: ok 11136 264: ok 11137 264: ok 11138 264: ok 11139 264: ok 11140 264: ok 11141 264: ok 11142 264: ok 11143 264: ok 11144 264: ok 11145 264: ok 11146 264: ok 11147 264: ok 11148 264: ok 11149 264: ok 11150 264: ok 11151 264: ok 11152 264: ok 11153 264: ok 11154 264: ok 11155 264: ok 11156 264: ok 11157 264: ok 11158 264: ok 11159 264: ok 11160 264: ok 11161 264: ok 11162 264: ok 11163 264: ok 11164 264: ok 11165 264: ok 11166 264: ok 11167 264: ok 11168 264: ok 11169 264: ok 11170 264: ok 11171 264: ok 11172 264: ok 11173 264: ok 11174 264: ok 11175 264: ok 11176 264: ok 11177 264: ok 11178 264: ok 11179 264: ok 11180 264: ok 11181 264: ok 11182 264: ok 11183 264: ok 11184 264: ok 11185 264: ok 11186 264: ok 11187 264: ok 11188 264: ok 11189 264: ok 11190 264: ok 11191 264: ok 11192 264: ok 11193 264: ok 11194 264: ok 11195 264: ok 11196 264: ok 11197 264: ok 11198 264: ok 11199 264: ok 11200 264: ok 11201 264: ok 11202 264: ok 11203 264: ok 11204 264: ok 11205 264: ok 11206 264: ok 11207 264: ok 11208 264: ok 11209 264: ok 11210 264: ok 11211 264: ok 11212 264: ok 11213 264: ok 11214 264: ok 11215 264: ok 11216 264: ok 11217 264: ok 11218 264: ok 11219 264: ok 11220 264: ok 11221 264: ok 11222 264: ok 11223 264: ok 11224 264: ok 11225 264: ok 11226 264: ok 11227 264: ok 11228 264: ok 11229 264: ok 11230 264: ok 11231 264: ok 11232 264: ok 11233 264: ok 11234 264: ok 11235 264: ok 11236 264: ok 11237 264: ok 11238 264: ok 11239 264: ok 11240 264: ok 11241 264: ok 11242 264: ok 11243 264: ok 11244 264: ok 11245 264: ok 11246 264: ok 11247 264: ok 11248 264: ok 11249 264: ok 11250 264: ok 11251 264: ok 11252 264: ok 11253 264: ok 11254 264: ok 11255 264: ok 11256 264: ok 11257 264: ok 11258 264: ok 11259 264: ok 11260 264: ok 11261 264: ok 11262 264: ok 11263 264: ok 11264 264: ok 11265 264: ok 11266 264: ok 11267 264: ok 11268 264: ok 11269 264: ok 11270 264: ok 11271 264: ok 11272 264: ok 11273 264: ok 11274 264: ok 11275 264: ok 11276 264: ok 11277 264: ok 11278 264: ok 11279 264: ok 11280 264: ok 11281 264: ok 11282 264: ok 11283 264: ok 11284 264: ok 11285 264: ok 11286 264: ok 11287 264: ok 11288 264: ok 11289 264: ok 11290 264: ok 11291 264: ok 11292 264: ok 11293 264: ok 11294 264: ok 11295 264: ok 11296 264: ok 11297 264: ok 11298 264: ok 11299 264: ok 11300 264: ok 11301 264: ok 11302 264: ok 11303 264: ok 11304 264: ok 11305 264: ok 11306 264: ok 11307 264: ok 11308 264: ok 11309 264: ok 11310 264: ok 11311 264: ok 11312 264: ok 11313 264: ok 11314 264: ok 11315 264: ok 11316 264: ok 11317 264: ok 11318 264: ok 11319 264: ok 11320 264: ok 11321 264: ok 11322 264: ok 11323 264: ok 11324 264: ok 11325 264: ok 11326 264: ok 11327 264: ok 11328 264: ok 11329 264: ok 11330 264: ok 11331 264: ok 11332 264: ok 11333 264: ok 11334 264: ok 11335 264: ok 11336 264: ok 11337 264: ok 11338 264: ok 11339 264: ok 11340 264: ok 11341 264: ok 11342 264: ok 11343 264: ok 11344 264: ok 11345 264: ok 11346 264: ok 11347 264: ok 11348 264: ok 11349 264: ok 11350 264: ok 11351 264: ok 11352 264: ok 11353 264: ok 11354 264: ok 11355 264: ok 11356 264: ok 11357 264: ok 11358 264: ok 11359 264: ok 11360 264: ok 11361 264: ok 11362 264: ok 11363 264: ok 11364 264: ok 11365 264: ok 11366 264: ok 11367 264: ok 11368 264: ok 11369 264: ok 11370 264: ok 11371 264: ok 11372 264: ok 11373 264: ok 11374 264: ok 11375 264: ok 11376 264: ok 11377 264: ok 11378 264: ok 11379 264: ok 11380 264: ok 11381 264: ok 11382 264: ok 11383 264: ok 11384 264: ok 11385 264: ok 11386 264: ok 11387 264: ok 11388 264: ok 11389 264: ok 11390 264: ok 11391 264: ok 11392 264: ok 11393 264: ok 11394 264: ok 11395 264: ok 11396 264: ok 11397 264: ok 11398 264: ok 11399 264: ok 11400 264: ok 11401 264: ok 11402 264: ok 11403 264: ok 11404 264: ok 11405 264: ok 11406 264: ok 11407 264: ok 11408 264: ok 11409 264: ok 11410 264: ok 11411 264: ok 11412 264: ok 11413 264: ok 11414 264: ok 11415 264: ok 11416 264: ok 11417 264: ok 11418 264: ok 11419 264: ok 11420 264: ok 11421 264: ok 11422 264: ok 11423 264: ok 11424 264: ok 11425 264: ok 11426 264: ok 11427 264: ok 11428 264: ok 11429 264: ok 11430 264: ok 11431 264: ok 11432 264: ok 11433 264: ok 11434 264: ok 11435 264: ok 11436 264: ok 11437 264: ok 11438 264: ok 11439 264: ok 11440 264: ok 11441 264: ok 11442 264: ok 11443 264: ok 11444 264: ok 11445 264: ok 11446 264: ok 11447 264: ok 11448 264: ok 11449 264: ok 11450 264: ok 11451 264: ok 11452 264: ok 11453 264: ok 11454 264: ok 11455 264: ok 11456 264: ok 11457 264: ok 11458 264: ok 11459 264: ok 11460 264: ok 11461 264: ok 11462 264: ok 11463 264: ok 11464 264: ok 11465 264: ok 11466 264: ok 11467 264: ok 11468 264: ok 11469 264: ok 11470 264: ok 11471 264: ok 11472 264: ok 11473 264: ok 11474 264: ok 11475 264: ok 11476 264: ok 11477 264: ok 11478 264: ok 11479 264: ok 11480 264: ok 11481 264: ok 11482 264: ok 11483 264: ok 11484 264: ok 11485 264: ok 11486 264: ok 11487 264: ok 11488 264: ok 11489 264: ok 11490 264: ok 11491 264: ok 11492 264: ok 11493 264: ok 11494 264: ok 11495 264: ok 11496 264: ok 11497 264: ok 11498 264: ok 11499 264: ok 11500 264: ok 11501 264: ok 11502 264: ok 11503 264: ok 11504 264: ok 11505 264: ok 11506 264: ok 11507 264: ok 11508 264: ok 11509 264: ok 11510 264: ok 11511 264: ok 11512 264: ok 11513 264: ok 11514 264: ok 11515 264: ok 11516 264: ok 11517 264: ok 11518 264: ok 11519 264: ok 11520 264: ok 11521 264: ok 11522 264: ok 11523 264: ok 11524 264: ok 11525 264: ok 11526 264: ok 11527 264: ok 11528 264: ok 11529 264: ok 11530 264: ok 11531 264: ok 11532 264: ok 11533 264: ok 11534 264: ok 11535 264: ok 11536 264: ok 11537 264: ok 11538 264: ok 11539 264: ok 11540 264: ok 11541 264: ok 11542 264: ok 11543 264: ok 11544 264: ok 11545 264: ok 11546 264: ok 11547 264: ok 11548 264: ok 11549 264: ok 11550 264: ok 11551 264: ok 11552 264: ok 11553 264: ok 11554 264: ok 11555 264: ok 11556 264: ok 11557 264: ok 11558 264: ok 11559 264: ok 11560 264: ok 11561 264: ok 11562 264: ok 11563 264: ok 11564 264: ok 11565 264: ok 11566 264: ok 11567 264: ok 11568 264: ok 11569 264: ok 11570 264: ok 11571 264: ok 11572 264: ok 11573 264: ok 11574 264: ok 11575 264: ok 11576 264: ok 11577 264: ok 11578 264: ok 11579 264: ok 11580 264: ok 11581 264: ok 11582 264: ok 11583 264: ok 11584 264: ok 11585 264: ok 11586 264: ok 11587 264: ok 11588 264: ok 11589 264: ok 11590 264: ok 11591 264: ok 11592 264: ok 11593 264: ok 11594 264: ok 11595 264: ok 11596 264: ok 11597 264: ok 11598 264: ok 11599 264: ok 11600 264: ok 11601 264: ok 11602 264: ok 11603 264: ok 11604 264: ok 11605 264: ok 11606 264: ok 11607 264: ok 11608 264: ok 11609 264: ok 11610 264: ok 11611 264: ok 11612 264: ok 11613 264: ok 11614 264: ok 11615 264: ok 11616 264: ok 11617 264: ok 11618 264: ok 11619 264: ok 11620 264: ok 11621 264: ok 11622 264: ok 11623 264: ok 11624 264: ok 11625 264: ok 11626 264: ok 11627 264: ok 11628 264: ok 11629 264: ok 11630 264: ok 11631 264: ok 11632 264: ok 11633 264: ok 11634 264: ok 11635 264: ok 11636 264: ok 11637 264: ok 11638 264: ok 11639 264: ok 11640 264: ok 11641 264: ok 11642 264: ok 11643 264: ok 11644 264: ok 11645 264: ok 11646 264: ok 11647 264: ok 11648 264: ok 11649 264: ok 11650 264: ok 11651 264: ok 11652 264: ok 11653 264: ok 11654 264: ok 11655 264: ok 11656 264: ok 11657 264: ok 11658 264: ok 11659 264: ok 11660 264: ok 11661 264: ok 11662 264: ok 11663 264: ok 11664 264: ok 11665 264: ok 11666 264: ok 11667 264: ok 11668 264: ok 11669 264: ok 11670 264: ok 11671 264: ok 11672 264: ok 11673 264: ok 11674 264: ok 11675 264: ok 11676 264: ok 11677 264: ok 11678 264: ok 11679 264: ok 11680 264: ok 11681 264: ok 11682 264: ok 11683 264: ok 11684 264: ok 11685 264: ok 11686 264: ok 11687 264: ok 11688 264: ok 11689 264: ok 11690 264: ok 11691 264: ok 11692 264: ok 11693 264: ok 11694 264: ok 11695 264: ok 11696 264: ok 11697 264: ok 11698 264: ok 11699 264: ok 11700 264: ok 11701 264: ok 11702 264: ok 11703 264: ok 11704 264: ok 11705 264: ok 11706 264: ok 11707 264: ok 11708 264: ok 11709 264: ok 11710 264: ok 11711 264: ok 11712 264: ok 11713 264: ok 11714 264: ok 11715 264: ok 11716 264: ok 11717 264: ok 11718 264: ok 11719 264: ok 11720 264: ok 11721 264: ok 11722 264: ok 11723 264: ok 11724 264: ok 11725 264: ok 11726 264: ok 11727 264: ok 11728 264: ok 11729 264: ok 11730 264: ok 11731 264: ok 11732 264: ok 11733 264: ok 11734 264: ok 11735 264: ok 11736 264: ok 11737 264: ok 11738 264: ok 11739 264: ok 11740 264: ok 11741 264: ok 11742 264: ok 11743 264: ok 11744 264: ok 11745 264: ok 11746 264: ok 11747 264: ok 11748 264: ok 11749 264: ok 11750 264: ok 11751 264: ok 11752 264: ok 11753 264: ok 11754 264: ok 11755 264: ok 11756 264: ok 11757 264: ok 11758 264: ok 11759 264: ok 11760 264: ok 11761 264: ok 11762 264: ok 11763 264: ok 11764 264: ok 11765 264: ok 11766 264: ok 11767 264: ok 11768 264: ok 11769 264: ok 11770 264: ok 11771 264: ok 11772 264: ok 11773 264: ok 11774 264: ok 11775 264: ok 11776 264: ok 11777 264: ok 11778 264: ok 11779 264: ok 11780 264: ok 11781 264: ok 11782 264: ok 11783 264: ok 11784 264: ok 11785 264: ok 11786 264: ok 11787 264: ok 11788 264: ok 11789 264: ok 11790 264: ok 11791 264: ok 11792 264: ok 11793 264: ok 11794 264: ok 11795 264: ok 11796 264: ok 11797 264: ok 11798 264: ok 11799 264: ok 11800 264: ok 11801 264: ok 11802 264: ok 11803 264: ok 11804 264: ok 11805 264: ok 11806 264: ok 11807 264: ok 11808 264: ok 11809 264: ok 11810 264: ok 11811 264: ok 11812 264: ok 11813 264: ok 11814 264: ok 11815 264: ok 11816 264: ok 11817 264: ok 11818 264: ok 11819 264: ok 11820 264: ok 11821 264: ok 11822 264: ok 11823 264: ok 11824 264: ok 11825 264: ok 11826 264: ok 11827 264: ok 11828 264: ok 11829 264: ok 11830 264: ok 11831 264: ok 11832 264: ok 11833 264: ok 11834 264: ok 11835 264: ok 11836 264: ok 11837 264: ok 11838 264: ok 11839 264: ok 11840 264: ok 11841 264: ok 11842 264: ok 11843 264: ok 11844 264: ok 11845 264: ok 11846 264: ok 11847 264: ok 11848 264: ok 11849 264: ok 11850 264: ok 11851 264: ok 11852 264: ok 11853 264: ok 11854 264: ok 11855 264: ok 11856 264: ok 11857 264: ok 11858 264: ok 11859 264: ok 11860 264: ok 11861 264: ok 11862 264: ok 11863 264: ok 11864 264: ok 11865 264: ok 11866 264: ok 11867 264: ok 11868 264: ok 11869 264: ok 11870 264: ok 11871 264: ok 11872 264: ok 11873 264: ok 11874 264: ok 11875 264: ok 11876 264: ok 11877 264: ok 11878 264: ok 11879 264: ok 11880 264: ok 11881 264: ok 11882 264: ok 11883 264: ok 11884 264: ok 11885 264: ok 11886 264: ok 11887 264: ok 11888 264: ok 11889 264: ok 11890 264: ok 11891 264: ok 11892 264: ok 11893 264: ok 11894 264: ok 11895 264: ok 11896 264: ok 11897 264: ok 11898 264: ok 11899 264: ok 11900 264: ok 11901 264: ok 11902 264: ok 11903 264: ok 11904 264: ok 11905 264: ok 11906 264: ok 11907 264: ok 11908 264: ok 11909 264: ok 11910 264: ok 11911 264: ok 11912 264: ok 11913 264: ok 11914 264: ok 11915 264: ok 11916 264: ok 11917 264: ok 11918 264: ok 11919 264: ok 11920 264: ok 11921 264: ok 11922 264: ok 11923 264: ok 11924 264: ok 11925 264: ok 11926 264: ok 11927 264: ok 11928 264: ok 11929 264: ok 11930 264: ok 11931 264: ok 11932 264: ok 11933 264: ok 11934 264: ok 11935 264: ok 11936 264: ok 11937 264: ok 11938 264: ok 11939 264: ok 11940 264: ok 11941 264: ok 11942 264: ok 11943 264: ok 11944 264: ok 11945 264: ok 11946 264: ok 11947 264: ok 11948 264: ok 11949 264: ok 11950 264: ok 11951 264: ok 11952 264: ok 11953 264: ok 11954 264: ok 11955 264: ok 11956 264: ok 11957 264: ok 11958 264: ok 11959 264: ok 11960 264: ok 11961 264: ok 11962 264: ok 11963 264: ok 11964 264: ok 11965 264: ok 11966 264: ok 11967 264: ok 11968 264: ok 11969 264: ok 11970 264: ok 11971 264: ok 11972 264: ok 11973 264: ok 11974 264: ok 11975 264: ok 11976 264: ok 11977 264: ok 11978 264: ok 11979 264: ok 11980 264: ok 11981 264: ok 11982 264: ok 11983 264: ok 11984 264: ok 11985 264: ok 11986 264: ok 11987 264: ok 11988 264: ok 11989 264: ok 11990 264: ok 11991 264: ok 11992 264: ok 11993 264: ok 11994 264: ok 11995 264: ok 11996 264: ok 11997 264: ok 11998 264: ok 11999 264: ok 12000 264: ok 12001 264: ok 12002 264: ok 12003 264: ok 12004 264: ok 12005 264: ok 12006 264: ok 12007 264: ok 12008 264: ok 12009 264: ok 12010 264: ok 12011 264: ok 12012 264: ok 12013 264: ok 12014 264: ok 12015 264: ok 12016 264: ok 12017 264: ok 12018 264: ok 12019 264: ok 12020 264: ok 12021 264: ok 12022 264: ok 12023 264: ok 12024 264: ok 12025 264: ok 12026 264: ok 12027 264: ok 12028 264: ok 12029 264: ok 12030 264: ok 12031 264: ok 12032 264: ok 12033 264: ok 12034 264: ok 12035 264: ok 12036 264: ok 12037 264: ok 12038 264: ok 12039 264: ok 12040 264: ok 12041 264: ok 12042 264: ok 12043 264: ok 12044 264: ok 12045 264: ok 12046 264: ok 12047 264: ok 12048 264: ok 12049 264: ok 12050 264: ok 12051 264: ok 12052 264: ok 12053 264: ok 12054 264: ok 12055 264: ok 12056 264: ok 12057 264: ok 12058 264: ok 12059 264: ok 12060 264: ok 12061 264: ok 12062 264: ok 12063 264: ok 12064 264: ok 12065 264: ok 12066 264: ok 12067 264: ok 12068 264: ok 12069 264: ok 12070 264: ok 12071 264: ok 12072 264: ok 12073 264: ok 12074 264: ok 12075 264: ok 12076 264: ok 12077 264: ok 12078 264: ok 12079 264: ok 12080 264: ok 12081 264: ok 12082 264: ok 12083 264: ok 12084 264: ok 12085 264: ok 12086 264: ok 12087 264: ok 12088 264: ok 12089 264: ok 12090 264: ok 12091 264: ok 12092 264: ok 12093 264: ok 12094 264: ok 12095 264: ok 12096 264: ok 12097 264: ok 12098 264: ok 12099 264: ok 12100 264: ok 12101 264: ok 12102 264: ok 12103 264: ok 12104 264: ok 12105 264: ok 12106 264: ok 12107 264: ok 12108 264: ok 12109 264: ok 12110 264: ok 12111 264: ok 12112 264: ok 12113 264: ok 12114 264: ok 12115 264: ok 12116 264: ok 12117 264: ok 12118 264: ok 12119 264: ok 12120 264: ok 12121 264: ok 12122 264: ok 12123 264: ok 12124 264: ok 12125 264: ok 12126 264: ok 12127 264: ok 12128 264: ok 12129 264: ok 12130 264: ok 12131 264: ok 12132 264: ok 12133 264: ok 12134 264: ok 12135 264: ok 12136 264: ok 12137 264: ok 12138 264: ok 12139 264: ok 12140 264: ok 12141 264: ok 12142 264: ok 12143 264: ok 12144 264: ok 12145 264: ok 12146 264: ok 12147 264: ok 12148 264: ok 12149 264: ok 12150 264: ok 12151 264: ok 12152 264: ok 12153 264: ok 12154 264: ok 12155 264: ok 12156 264: ok 12157 264: ok 12158 264: ok 12159 264: ok 12160 264: ok 12161 264: ok 12162 264: ok 12163 264: ok 12164 264: ok 12165 264: ok 12166 264: ok 12167 264: ok 12168 264: ok 12169 264: ok 12170 264: ok 12171 264: ok 12172 264: ok 12173 264: ok 12174 264: ok 12175 264: ok 12176 264: ok 12177 264: ok 12178 264: ok 12179 264: ok 12180 264: ok 12181 264: ok 12182 264: ok 12183 264: ok 12184 264: ok 12185 264: ok 12186 264: ok 12187 264: ok 12188 264: ok 12189 264: ok 12190 264: ok 12191 264: ok 12192 264: ok 12193 264: ok 12194 264: ok 12195 264: ok 12196 264: ok 12197 264: ok 12198 264: ok 12199 264: ok 12200 264: ok 12201 264: ok 12202 264: ok 12203 264: ok 12204 264: ok 12205 264: ok 12206 264: ok 12207 264: ok 12208 264: ok 12209 264: ok 12210 264: ok 12211 264: ok 12212 264: ok 12213 264: ok 12214 264: ok 12215 264: ok 12216 264: ok 12217 264: ok 12218 264: ok 12219 264: ok 12220 264: ok 12221 264: ok 12222 264: ok 12223 264: ok 12224 264: ok 12225 264: ok 12226 264: ok 12227 264: ok 12228 264: ok 12229 264: ok 12230 264: ok 12231 264: ok 12232 264: ok 12233 264: ok 12234 264: ok 12235 264: ok 12236 264: ok 12237 264: ok 12238 264: ok 12239 264: ok 12240 264: ok 12241 264: ok 12242 264: ok 12243 264: ok 12244 264: ok 12245 264: ok 12246 264: ok 12247 264: ok 12248 264: ok 12249 264: ok 12250 264: ok 12251 264: ok 12252 264: ok 12253 264: ok 12254 264: ok 12255 264: ok 12256 264: ok 12257 264: ok 12258 264: ok 12259 264: ok 12260 264: ok 12261 264: ok 12262 264: ok 12263 264: ok 12264 264: ok 12265 264: ok 12266 264: ok 12267 264: ok 12268 264: ok 12269 264: ok 12270 264: ok 12271 264: ok 12272 264: ok 12273 264: ok 12274 264: ok 12275 264: ok 12276 264: ok 12277 264: ok 12278 264: ok 12279 264: ok 12280 264: ok 12281 264: ok 12282 264: ok 12283 264: ok 12284 264: ok 12285 264: ok 12286 264: ok 12287 264: ok 12288 264: ok 12289 264: ok 12290 264: ok 12291 264: ok 12292 264: ok 12293 264: ok 12294 264: ok 12295 264: ok 12296 264: ok 12297 264: ok 12298 264: ok 12299 264: ok 12300 264: ok 12301 264: ok 12302 264: ok 12303 264: ok 12304 264: ok 12305 264: ok 12306 264: ok 12307 264: ok 12308 264: ok 12309 264: ok 12310 264: ok 12311 264: ok 12312 264: ok 12313 264: ok 12314 264: ok 12315 264: ok 12316 264: ok 12317 264: ok 12318 264: ok 12319 264: ok 12320 264: ok 12321 264: ok 12322 264: ok 12323 264: ok 12324 264: ok 12325 264: ok 12326 264: ok 12327 264: ok 12328 264: ok 12329 264: ok 12330 264: ok 12331 264: ok 12332 264: ok 12333 264: ok 12334 264: ok 12335 264: ok 12336 264: ok 12337 264: ok 12338 264: ok 12339 264: ok 12340 264: ok 12341 264: ok 12342 264: ok 12343 264: ok 12344 264: ok 12345 264: ok 12346 264: ok 12347 264: ok 12348 264: ok 12349 264: ok 12350 264: ok 12351 264: ok 12352 264: ok 12353 264: ok 12354 264: ok 12355 264: ok 12356 264: ok 12357 264: ok 12358 264: ok 12359 264: ok 12360 264: ok 12361 264: ok 12362 264: ok 12363 264: ok 12364 264: ok 12365 264: ok 12366 264: ok 12367 264: ok 12368 264: ok 12369 264: ok 12370 264: ok 12371 264: ok 12372 264: ok 12373 264: ok 12374 264: ok 12375 264: ok 12376 264: ok 12377 264: ok 12378 264: ok 12379 264: ok 12380 264: ok 12381 264: ok 12382 264: ok 12383 264: ok 12384 264: ok 12385 264: ok 12386 264: ok 12387 264: ok 12388 264: ok 12389 264: ok 12390 264: ok 12391 264: ok 12392 264: ok 12393 264: ok 12394 264: ok 12395 264: ok 12396 264: ok 12397 264: ok 12398 264: ok 12399 264: ok 12400 264: ok 12401 264: ok 12402 264: ok 12403 264: ok 12404 264: ok 12405 264: ok 12406 264: ok 12407 264: ok 12408 264: ok 12409 264: ok 12410 264: ok 12411 264: ok 12412 264: ok 12413 264: ok 12414 264: ok 12415 264: ok 12416 264: ok 12417 264: ok 12418 264: ok 12419 264: ok 12420 264: ok 12421 264: ok 12422 264: ok 12423 264: ok 12424 264: ok 12425 264: ok 12426 264: ok 12427 264: ok 12428 264: ok 12429 264: ok 12430 264: ok 12431 264: ok 12432 264: ok 12433 264: ok 12434 264: ok 12435 264: ok 12436 264: ok 12437 264: ok 12438 264: ok 12439 264: ok 12440 264: ok 12441 264: ok 12442 264: ok 12443 264: ok 12444 264: ok 12445 264: ok 12446 264: ok 12447 264: ok 12448 264: ok 12449 264: ok 12450 264: ok 12451 264: ok 12452 264: ok 12453 264: ok 12454 264: ok 12455 264: ok 12456 264: ok 12457 264: ok 12458 264: ok 12459 264: ok 12460 264: ok 12461 264: ok 12462 264: ok 12463 264: ok 12464 264: ok 12465 264: ok 12466 264: ok 12467 264: ok 12468 264: ok 12469 264: ok 12470 264: ok 12471 264: ok 12472 264: ok 12473 264: ok 12474 264: ok 12475 264: ok 12476 264: ok 12477 264: ok 12478 264: ok 12479 264: ok 12480 264: ok 12481 264: ok 12482 264: ok 12483 264: ok 12484 264: ok 12485 264: ok 12486 264: ok 12487 264: ok 12488 264: ok 12489 264: ok 12490 264: ok 12491 264: ok 12492 264: ok 12493 264: ok 12494 264: ok 12495 264: ok 12496 264: ok 12497 264: ok 12498 264: ok 12499 264: ok 12500 264: ok 12501 264: ok 12502 264: ok 12503 264: ok 12504 264: ok 12505 264: ok 12506 264: ok 12507 264: ok 12508 264: ok 12509 264: ok 12510 264: ok 12511 264: ok 12512 264: ok 12513 264: ok 12514 264: ok 12515 264: ok 12516 264: ok 12517 264: ok 12518 264: ok 12519 264: ok 12520 264: ok 12521 264: ok 12522 264: ok 12523 264: ok 12524 264: ok 12525 264: ok 12526 264: ok 12527 264: ok 12528 264: ok 12529 264: ok 12530 264: ok 12531 264: ok 12532 264: ok 12533 264: ok 12534 264: ok 12535 264: ok 12536 264: ok 12537 264: ok 12538 264: ok 12539 264: ok 12540 264: ok 12541 264: ok 12542 264: ok 12543 264: ok 12544 264: ok 12545 264: ok 12546 264: ok 12547 264: ok 12548 264: ok 12549 264: ok 12550 264: ok 12551 264: ok 12552 264: ok 12553 264: ok 12554 264: ok 12555 264: ok 12556 264: ok 12557 264: ok 12558 264: ok 12559 264: ok 12560 264: ok 12561 264: ok 12562 264: ok 12563 264: ok 12564 264: ok 12565 264: ok 12566 264: ok 12567 264: ok 12568 264: ok 12569 264: ok 12570 264: ok 12571 264: ok 12572 264: ok 12573 264: ok 12574 264: ok 12575 264: ok 12576 264: ok 12577 264: ok 12578 264: ok 12579 264: ok 12580 264: ok 12581 264: ok 12582 264: ok 12583 264: ok 12584 264: ok 12585 264: ok 12586 264: ok 12587 264: ok 12588 264: ok 12589 264: ok 12590 264: ok 12591 264: ok 12592 264: ok 12593 264: ok 12594 264: ok 12595 264: ok 12596 264: ok 12597 264: ok 12598 264: ok 12599 264: ok 12600 264: ok 12601 264: ok 12602 264: ok 12603 264: ok 12604 264: ok 12605 264: ok 12606 264: ok 12607 264: ok 12608 264: ok 12609 264: ok 12610 264: ok 12611 264: ok 12612 264: ok 12613 264: ok 12614 264: ok 12615 264: ok 12616 264: ok 12617 264: ok 12618 264: ok 12619 264: ok 12620 264: ok 12621 264: ok 12622 264: ok 12623 264: ok 12624 264: ok 12625 264: ok 12626 264: ok 12627 264: ok 12628 264: ok 12629 264: ok 12630 264: ok 12631 264: ok 12632 264: ok 12633 264: ok 12634 264: ok 12635 264: ok 12636 264: ok 12637 264: ok 12638 264: ok 12639 264: ok 12640 264: ok 12641 264: ok 12642 264: ok 12643 264: ok 12644 264: ok 12645 264: ok 12646 264: ok 12647 264: ok 12648 264: ok 12649 264: ok 12650 264: ok 12651 264: ok 12652 264: ok 12653 264: ok 12654 264: ok 12655 264: ok 12656 264: ok 12657 264: ok 12658 264: ok 12659 264: ok 12660 264: ok 12661 264: ok 12662 264: ok 12663 264: ok 12664 264: ok 12665 264: ok 12666 264: ok 12667 264: ok 12668 264: ok 12669 264: ok 12670 264: ok 12671 264: ok 12672 264: ok 12673 264: ok 12674 264: ok 12675 264: ok 12676 264: ok 12677 264: ok 12678 264: ok 12679 264: ok 12680 264: ok 12681 264: ok 12682 264: ok 12683 264: ok 12684 264: ok 12685 264: ok 12686 264: ok 12687 264: ok 12688 264: ok 12689 264: ok 12690 264: ok 12691 264: ok 12692 264: ok 12693 264: ok 12694 264: ok 12695 264: ok 12696 264: ok 12697 264: ok 12698 264: ok 12699 264: ok 12700 264: ok 12701 264: ok 12702 264: ok 12703 264: ok 12704 264: ok 12705 264: ok 12706 264: ok 12707 264: ok 12708 264: ok 12709 264: ok 12710 264: ok 12711 264: ok 12712 264: ok 12713 264: ok 12714 264: ok 12715 264: ok 12716 264: ok 12717 264: ok 12718 264: ok 12719 264: ok 12720 264: ok 12721 264: ok 12722 264: ok 12723 264: ok 12724 264: ok 12725 264: ok 12726 264: ok 12727 264: ok 12728 264: ok 12729 264: ok 12730 264: ok 12731 264: ok 12732 264: ok 12733 264: ok 12734 264: ok 12735 264: ok 12736 264: ok 12737 264: ok 12738 264: ok 12739 264: ok 12740 264: ok 12741 264: ok 12742 264: ok 12743 264: ok 12744 264: ok 12745 264: ok 12746 264: ok 12747 264: ok 12748 264: ok 12749 264: ok 12750 264: ok 12751 264: ok 12752 264: ok 12753 264: ok 12754 264: ok 12755 264: ok 12756 264: ok 12757 264: ok 12758 264: ok 12759 264: ok 12760 264: ok 12761 264: ok 12762 264: ok 12763 264: ok 12764 264: ok 12765 264: ok 12766 264: ok 12767 264: ok 12768 264: ok 12769 264: ok 12770 264: ok 12771 264: ok 12772 264: ok 12773 264: ok 12774 264: ok 12775 264: ok 12776 264: ok 12777 264: ok 12778 264: ok 12779 264: ok 12780 264: ok 12781 264: ok 12782 264: ok 12783 264: ok 12784 264: ok 12785 264: ok 12786 264: ok 12787 264: ok 12788 264: ok 12789 264: ok 12790 264: ok 12791 264: ok 12792 264: ok 12793 264: ok 12794 264: ok 12795 264: ok 12796 264: ok 12797 264: ok 12798 264: ok 12799 264: ok 12800 264: ok 12801 264: ok 12802 264: ok 12803 264: ok 12804 264: ok 12805 264: ok 12806 264: ok 12807 264: ok 12808 264: ok 12809 264: ok 12810 264: ok 12811 264: ok 12812 264: ok 12813 264: ok 12814 264: ok 12815 264: ok 12816 264: ok 12817 264: ok 12818 264: ok 12819 264: ok 12820 264: ok 12821 264: ok 12822 264: ok 12823 264: ok 12824 264: ok 12825 264: ok 12826 264: ok 12827 264: ok 12828 264: ok 12829 264: ok 12830 264: ok 12831 264: ok 12832 264: ok 12833 264: ok 12834 264: ok 12835 264: ok 12836 264: ok 12837 264: ok 12838 264: ok 12839 264: ok 12840 264: ok 12841 264: ok 12842 264: ok 12843 264: ok 12844 264: ok 12845 264: ok 12846 264: ok 12847 264: ok 12848 264: ok 12849 264: ok 12850 264: ok 12851 264: ok 12852 264: ok 12853 264: ok 12854 264: ok 12855 264: ok 12856 264: ok 12857 264: ok 12858 264: ok 12859 264: ok 12860 264: ok 12861 264: ok 12862 264: ok 12863 264: ok 12864 264: ok 12865 264: ok 12866 264: ok 12867 264: ok 12868 264: ok 12869 264: ok 12870 264: ok 12871 264: ok 12872 264: ok 12873 264: ok 12874 264: ok 12875 264: ok 12876 264: ok 12877 264: ok 12878 264: ok 12879 264: ok 12880 264: ok 12881 264: ok 12882 264: ok 12883 264: ok 12884 264: ok 12885 264: ok 12886 264: ok 12887 264: ok 12888 264: ok 12889 264: ok 12890 264: ok 12891 264: ok 12892 264: ok 12893 264: ok 12894 264: ok 12895 264: ok 12896 264: ok 12897 264: ok 12898 264: ok 12899 264: ok 12900 264: ok 12901 264: ok 12902 264: ok 12903 264: ok 12904 264: ok 12905 264: ok 12906 264: ok 12907 264: ok 12908 264: ok 12909 264: ok 12910 264: ok 12911 264: ok 12912 264: ok 12913 264: ok 12914 264: ok 12915 264: ok 12916 264: ok 12917 264: ok 12918 264: ok 12919 264: ok 12920 264: ok 12921 264: ok 12922 264: ok 12923 264: ok 12924 264: ok 12925 264: ok 12926 264: ok 12927 264: ok 12928 264: ok 12929 264: ok 12930 264: ok 12931 264: ok 12932 264: ok 12933 264: ok 12934 264: ok 12935 264: ok 12936 264: ok 12937 264: ok 12938 264: ok 12939 264: ok 12940 264: ok 12941 264: ok 12942 264: ok 12943 264: ok 12944 264: ok 12945 264: ok 12946 264: ok 12947 264: ok 12948 264: ok 12949 264: ok 12950 264: ok 12951 264: ok 12952 264: ok 12953 264: ok 12954 264: ok 12955 264: ok 12956 264: ok 12957 264: ok 12958 264: ok 12959 264: ok 12960 264: ok 12961 264: ok 12962 264: ok 12963 264: ok 12964 264: ok 12965 264: ok 12966 264: ok 12967 264: ok 12968 264: ok 12969 264: ok 12970 264: ok 12971 264: ok 12972 264: ok 12973 264: ok 12974 264: ok 12975 264: ok 12976 264: ok 12977 264: ok 12978 264: ok 12979 264: ok 12980 264: ok 12981 264: ok 12982 264: ok 12983 264: ok 12984 264: ok 12985 264: ok 12986 264: ok 12987 264: ok 12988 264: ok 12989 264: ok 12990 264: ok 12991 264: ok 12992 264: ok 12993 264: ok 12994 264: ok 12995 264: ok 12996 264: ok 12997 264: ok 12998 264: ok 12999 264: ok 13000 264: ok 13001 264: ok 13002 264: ok 13003 264: ok 13004 264: ok 13005 264: ok 13006 264: ok 13007 264: ok 13008 264: ok 13009 264: ok 13010 264: ok 13011 264: ok 13012 264: ok 13013 264: ok 13014 264: ok 13015 264: ok 13016 264: ok 13017 264: ok 13018 264: ok 13019 264: ok 13020 264: ok 13021 264: ok 13022 264: ok 13023 264: ok 13024 264: ok 13025 264: ok 13026 264: ok 13027 264: ok 13028 264: ok 13029 264: ok 13030 264: ok 13031 264: ok 13032 264: ok 13033 264: ok 13034 264: ok 13035 264: ok 13036 264: ok 13037 264: ok 13038 264: ok 13039 264: ok 13040 264: ok 13041 264: ok 13042 264: ok 13043 264: ok 13044 264: ok 13045 264: ok 13046 264: ok 13047 264: ok 13048 264: ok 13049 264: ok 13050 264: ok 13051 264: ok 13052 264: ok 13053 264: ok 13054 264: ok 13055 264: ok 13056 264: ok 13057 264: ok 13058 264: ok 13059 264: ok 13060 264: ok 13061 264: ok 13062 264: ok 13063 264: ok 13064 264: ok 13065 264: ok 13066 264: ok 13067 264: ok 13068 264: ok 13069 264: ok 13070 264: ok 13071 264: ok 13072 264: ok 13073 264: ok 13074 264: ok 13075 264: ok 13076 264: ok 13077 264: ok 13078 264: ok 13079 264: ok 13080 264: ok 13081 264: ok 13082 264: ok 13083 264: ok 13084 264: ok 13085 264: ok 13086 264: ok 13087 264: ok 13088 264: ok 13089 264: ok 13090 264: ok 13091 264: ok 13092 264: ok 13093 264: ok 13094 264: ok 13095 264: ok 13096 264: ok 13097 264: ok 13098 264: ok 13099 264: ok 13100 264: ok 13101 264: ok 13102 264: ok 13103 264: ok 13104 264: ok 13105 264: ok 13106 264: ok 13107 264: ok 13108 264: ok 13109 264: ok 13110 264: ok 13111 264: ok 13112 264: ok 13113 264: ok 13114 264: ok 13115 264: ok 13116 264: ok 13117 264: ok 13118 264: ok 13119 264: ok 13120 264: ok 13121 264: ok 13122 264: ok 13123 264: ok 13124 264: ok 13125 264: ok 13126 264: ok 13127 264: ok 13128 264: ok 13129 264: ok 13130 264: ok 13131 264: ok 13132 264: ok 13133 264: ok 13134 264: ok 13135 264: ok 13136 264: ok 13137 264: ok 13138 264: ok 13139 264: ok 13140 264: ok 13141 264: ok 13142 264: ok 13143 264: ok 13144 264: ok 13145 264: ok 13146 264: ok 13147 264: ok 13148 264: ok 13149 264: ok 13150 264: ok 13151 264: ok 13152 264: ok 13153 264: ok 13154 264: ok 13155 264: ok 13156 264: ok 13157 264: ok 13158 264: ok 13159 264: ok 13160 264: ok 13161 264: ok 13162 264: ok 13163 264: ok 13164 264: ok 13165 264: ok 13166 264: ok 13167 264: ok 13168 264: ok 13169 264: ok 13170 264: ok 13171 264: ok 13172 264: ok 13173 264: ok 13174 264: ok 13175 264: ok 13176 264: ok 13177 264: ok 13178 264: ok 13179 264: ok 13180 264: ok 13181 264: ok 13182 264: ok 13183 264: ok 13184 264: ok 13185 264: ok 13186 264: ok 13187 264: ok 13188 264: ok 13189 264: ok 13190 264: ok 13191 264: ok 13192 264: ok 13193 264: ok 13194 264: ok 13195 264: ok 13196 264: ok 13197 264: ok 13198 264: ok 13199 264: ok 13200 264: ok 13201 264: ok 13202 264: ok 13203 264: ok 13204 264: ok 13205 264: ok 13206 264: ok 13207 264: ok 13208 264: ok 13209 264: ok 13210 264: ok 13211 264: ok 13212 264: ok 13213 264: ok 13214 264: ok 13215 264: ok 13216 264: ok 13217 264: ok 13218 264: ok 13219 264: ok 13220 264: ok 13221 264: ok 13222 264: ok 13223 264: ok 13224 264: ok 13225 264: ok 13226 264: ok 13227 264: ok 13228 264: ok 13229 264: ok 13230 264: ok 13231 264: ok 13232 264: ok 13233 264: ok 13234 264: ok 13235 264: ok 13236 264: ok 13237 264: ok 13238 264: ok 13239 264: ok 13240 264: ok 13241 264: ok 13242 264: ok 13243 264: ok 13244 264: ok 13245 264: ok 13246 264: ok 13247 264: ok 13248 264: ok 13249 264: ok 13250 264: ok 13251 264: ok 13252 264: ok 13253 264: ok 13254 264: ok 13255 264: ok 13256 264: ok 13257 264: ok 13258 264: ok 13259 264: ok 13260 264: ok 13261 264: ok 13262 264: ok 13263 264: ok 13264 264: ok 13265 264: ok 13266 264: ok 13267 264: ok 13268 264: ok 13269 264: ok 13270 264: ok 13271 264: ok 13272 264: ok 13273 264: ok 13274 264: ok 13275 264: ok 13276 264: ok 13277 264: ok 13278 264: ok 13279 264: ok 13280 264: ok 13281 264: ok 13282 264: ok 13283 264: ok 13284 264: ok 13285 264: ok 13286 264: ok 13287 264: ok 13288 264: ok 13289 264: ok 13290 264: ok 13291 264: ok 13292 264: ok 13293 264: ok 13294 264: ok 13295 264: ok 13296 264: ok 13297 264: ok 13298 264: ok 13299 264: ok 13300 264: ok 13301 264: ok 13302 264: ok 13303 264: ok 13304 264: ok 13305 264: ok 13306 264: ok 13307 264: ok 13308 264: ok 13309 264: ok 13310 264: ok 13311 264: ok 13312 264: ok 13313 264: ok 13314 264: ok 13315 264: ok 13316 264: ok 13317 264: ok 13318 264: ok 13319 264: ok 13320 264: ok 13321 264: ok 13322 264: ok 13323 264: ok 13324 264: ok 13325 264: ok 13326 264: ok 13327 264: ok 13328 264: ok 13329 264: ok 13330 264: ok 13331 264: ok 13332 264: ok 13333 264: ok 13334 264: ok 13335 264: ok 13336 264: ok 13337 264: ok 13338 264: ok 13339 264: ok 13340 264: ok 13341 264: ok 13342 264: ok 13343 264: ok 13344 264: ok 13345 264: ok 13346 264: ok 13347 264: ok 13348 264: ok 13349 264: ok 13350 264: ok 13351 264: ok 13352 264: ok 13353 264: ok 13354 264: ok 13355 264: ok 13356 264: ok 13357 264: ok 13358 264: ok 13359 264: ok 13360 264: ok 13361 264: ok 13362 264: ok 13363 264: ok 13364 264: ok 13365 264: ok 13366 264: ok 13367 264: ok 13368 264: ok 13369 264: ok 13370 264: ok 13371 264: ok 13372 264: ok 13373 264: ok 13374 264: ok 13375 264: ok 13376 264: ok 13377 264: ok 13378 264: ok 13379 264: ok 13380 264: ok 13381 264: ok 13382 264: ok 13383 264: ok 13384 264: ok 13385 264: ok 13386 264: ok 13387 264: ok 13388 264: ok 13389 264: ok 13390 264: ok 13391 264: ok 13392 264: ok 13393 264: ok 13394 264: ok 13395 264: ok 13396 264: ok 13397 264: ok 13398 264: ok 13399 264: ok 13400 264: ok 13401 264: ok 13402 264: ok 13403 264: ok 13404 264: ok 13405 264: ok 13406 264: ok 13407 264: ok 13408 264: ok 13409 264: ok 13410 264: ok 13411 264: ok 13412 264: ok 13413 264: ok 13414 264: ok 13415 264: ok 13416 264: ok 13417 264: ok 13418 264: ok 13419 264: ok 13420 264: ok 13421 264: ok 13422 264: ok 13423 264: ok 13424 264: ok 13425 264: ok 13426 264: ok 13427 264: ok 13428 264: ok 13429 264: ok 13430 264: ok 13431 264: ok 13432 264: ok 13433 264: ok 13434 264: ok 13435 264: ok 13436 264: ok 13437 264: ok 13438 264: ok 13439 264: ok 13440 264: ok 13441 264: ok 13442 264: ok 13443 264: ok 13444 264: ok 13445 264: ok 13446 264: ok 13447 264: ok 13448 264: ok 13449 264: ok 13450 264: ok 13451 264: ok 13452 264: ok 13453 264: ok 13454 264: ok 13455 264: ok 13456 264: ok 13457 264: ok 13458 264: ok 13459 264: ok 13460 264: ok 13461 264: ok 13462 264: ok 13463 264: ok 13464 264: ok 13465 264: ok 13466 264: ok 13467 264: ok 13468 264: ok 13469 264: ok 13470 264: ok 13471 264: ok 13472 264: ok 13473 264: ok 13474 264: ok 13475 264: ok 13476 264: ok 13477 264: ok 13478 264: ok 13479 264: ok 13480 264: ok 13481 264: ok 13482 264: ok 13483 264: ok 13484 264: ok 13485 264: ok 13486 264: ok 13487 264: ok 13488 264: ok 13489 264: ok 13490 264: ok 13491 264: ok 13492 264: ok 13493 264: ok 13494 264: ok 13495 264: ok 13496 264: ok 13497 264: ok 13498 264: ok 13499 264: ok 13500 264: ok 13501 264: ok 13502 264: ok 13503 264: ok 13504 264: ok 13505 264: ok 13506 264: ok 13507 264: ok 13508 264: ok 13509 264: ok 13510 264: ok 13511 264: ok 13512 264: ok 13513 264: ok 13514 264: ok 13515 264: ok 13516 264: ok 13517 264: ok 13518 264: ok 13519 264: ok 13520 264: ok 13521 264: ok 13522 264: ok 13523 264: ok 13524 264: ok 13525 264: ok 13526 264: ok 13527 264: ok 13528 264: ok 13529 264: ok 13530 264: ok 13531 264: ok 13532 264: ok 13533 264: ok 13534 264: ok 13535 264: ok 13536 264: ok 13537 264: ok 13538 264: ok 13539 264: ok 13540 264: ok 13541 264: ok 13542 264: ok 13543 264: ok 13544 264: ok 13545 264: ok 13546 264: ok 13547 264: ok 13548 264: ok 13549 264: ok 13550 264: ok 13551 264: ok 13552 264: ok 13553 264: ok 13554 264: ok 13555 264: ok 13556 264: ok 13557 264: ok 13558 264: ok 13559 264: ok 13560 264: ok 13561 264: ok 13562 264: ok 13563 264: ok 13564 264: ok 13565 264: ok 13566 264: ok 13567 264: ok 13568 264: ok 13569 264: ok 13570 264: ok 13571 264: ok 13572 264: ok 13573 264: ok 13574 264: ok 13575 264: ok 13576 264: ok 13577 264: ok 13578 264: ok 13579 264: ok 13580 264: ok 13581 264: ok 13582 264: ok 13583 264: ok 13584 264: ok 13585 264: ok 13586 264: ok 13587 264: ok 13588 264: ok 13589 264: ok 13590 264: ok 13591 264: ok 13592 264: ok 13593 264: ok 13594 264: ok 13595 264: ok 13596 264: ok 13597 264: ok 13598 264: ok 13599 264: ok 13600 264: ok 13601 264: ok 13602 264: ok 13603 264: ok 13604 264: ok 13605 264: ok 13606 264: ok 13607 264: ok 13608 264: ok 13609 264: ok 13610 264: ok 13611 264: ok 13612 264: ok 13613 264: ok 13614 264: ok 13615 264: ok 13616 264: ok 13617 264: ok 13618 264: ok 13619 264: ok 13620 264: ok 13621 264: ok 13622 264: ok 13623 264: ok 13624 264: ok 13625 264: ok 13626 264: ok 13627 264: ok 13628 264: ok 13629 264: ok 13630 264: ok 13631 264: ok 13632 264: ok 13633 264: ok 13634 264: ok 13635 264: ok 13636 264: ok 13637 264: ok 13638 264: ok 13639 264: ok 13640 264: ok 13641 264: ok 13642 264: ok 13643 264: ok 13644 264: ok 13645 264: ok 13646 264: ok 13647 264: ok 13648 264: ok 13649 264: ok 13650 264: ok 13651 264: ok 13652 264: ok 13653 264: ok 13654 264: ok 13655 264: ok 13656 264: ok 13657 264: ok 13658 264: ok 13659 264: ok 13660 264: ok 13661 264: ok 13662 264: ok 13663 264: ok 13664 264: ok 13665 264: ok 13666 264: ok 13667 264: ok 13668 264: ok 13669 264: ok 13670 264: ok 13671 264: ok 13672 264: ok 13673 264: ok 13674 264: ok 13675 264: ok 13676 264: ok 13677 264: ok 13678 264: ok 13679 264: ok 13680 264: ok 13681 264: ok 13682 264: ok 13683 264: ok 13684 264: ok 13685 264: ok 13686 264: ok 13687 264: ok 13688 264: ok 13689 264: ok 13690 264: ok 13691 264: ok 13692 264: ok 13693 264: ok 13694 264: ok 13695 264: ok 13696 264: ok 13697 264: ok 13698 264: ok 13699 264: ok 13700 264: ok 13701 264: ok 13702 264: ok 13703 264: ok 13704 264: ok 13705 264: ok 13706 264: ok 13707 264: ok 13708 264: ok 13709 264: ok 13710 264: ok 13711 264: ok 13712 264: ok 13713 264: ok 13714 264: ok 13715 264: ok 13716 264: ok 13717 264: ok 13718 264: ok 13719 264: ok 13720 264: ok 13721 264: ok 13722 264: ok 13723 264: ok 13724 264: ok 13725 264: ok 13726 264: ok 13727 264: ok 13728 264: ok 13729 264: ok 13730 264: ok 13731 264: ok 13732 264: ok 13733 264: ok 13734 264: ok 13735 264: ok 13736 264: ok 13737 264: ok 13738 264: ok 13739 264: ok 13740 264: ok 13741 264: ok 13742 264: ok 13743 264: ok 13744 264: ok 13745 264: ok 13746 264: ok 13747 264: ok 13748 264: ok 13749 264: ok 13750 264: ok 13751 264: ok 13752 264: ok 13753 264: ok 13754 264: ok 13755 264: ok 13756 264: ok 13757 264: ok 13758 264: ok 13759 264: ok 13760 264: ok 13761 264: ok 13762 264: ok 13763 264: ok 13764 264: ok 13765 264: ok 13766 264: ok 13767 264: ok 13768 264: ok 13769 264: ok 13770 264: ok 13771 264: ok 13772 264: ok 13773 264: ok 13774 264: ok 13775 264: ok 13776 264: ok 13777 264: ok 13778 264: ok 13779 264: ok 13780 264: ok 13781 264: ok 13782 264: ok 13783 264: ok 13784 264: ok 13785 264: ok 13786 264: ok 13787 264: ok 13788 264: ok 13789 264: ok 13790 264: ok 13791 264: ok 13792 264: ok 13793 264: ok 13794 264: ok 13795 264: ok 13796 264: ok 13797 264: ok 13798 264: ok 13799 264: ok 13800 264: ok 13801 264: ok 13802 264: ok 13803 264: ok 13804 264: ok 13805 264: ok 13806 264: ok 13807 264: ok 13808 264: ok 13809 264: ok 13810 264: ok 13811 264: ok 13812 264: ok 13813 264: ok 13814 264: ok 13815 264: ok 13816 264: ok 13817 264: ok 13818 264: ok 13819 264: ok 13820 264: ok 13821 264: ok 13822 264: ok 13823 264: ok 13824 264: ok 13825 264: ok 13826 264: ok 13827 264: ok 13828 264: ok 13829 264: ok 13830 264: ok 13831 264: ok 13832 264: ok 13833 264: ok 13834 264: ok 13835 264: ok 13836 264: ok 13837 264: ok 13838 264: ok 13839 264: ok 13840 264: ok 13841 264: ok 13842 264: ok 13843 264: ok 13844 264: ok 13845 264: ok 13846 264: ok 13847 264: ok 13848 264: ok 13849 264: ok 13850 264: ok 13851 264: ok 13852 264: ok 13853 264: ok 13854 264: ok 13855 264: ok 13856 264: ok 13857 264: ok 13858 264: ok 13859 264: ok 13860 264: ok 13861 264: ok 13862 264: ok 13863 264: ok 13864 264: ok 13865 264: ok 13866 264: ok 13867 264: ok 13868 264: ok 13869 264: ok 13870 264: ok 13871 264: ok 13872 264: ok 13873 264: ok 13874 264: ok 13875 264: ok 13876 264: ok 13877 264: ok 13878 264: ok 13879 264: ok 13880 264: ok 13881 264: ok 13882 264: ok 13883 264: ok 13884 264: ok 13885 264: ok 13886 264: ok 13887 264: ok 13888 264: ok 13889 264: ok 13890 264: ok 13891 264: ok 13892 264: ok 13893 264: ok 13894 264: ok 13895 264: ok 13896 264: ok 13897 264: ok 13898 264: ok 13899 264: ok 13900 264: ok 13901 264: ok 13902 264: ok 13903 264: ok 13904 264: ok 13905 264: ok 13906 264: ok 13907 264: ok 13908 264: ok 13909 264: ok 13910 264: ok 13911 264: ok 13912 264: ok 13913 264: ok 13914 264: ok 13915 264: ok 13916 264: ok 13917 264: ok 13918 264: ok 13919 264: ok 13920 264: ok 13921 264: ok 13922 264: ok 13923 264: ok 13924 264: ok 13925 264: ok 13926 264: ok 13927 264: ok 13928 264: ok 13929 264: ok 13930 264: ok 13931 264: ok 13932 264: ok 13933 264: ok 13934 264: ok 13935 264: ok 13936 264: ok 13937 264: ok 13938 264: ok 13939 264: ok 13940 264: ok 13941 264: ok 13942 264: ok 13943 264: ok 13944 264: ok 13945 264: ok 13946 264: ok 13947 264: ok 13948 264: ok 13949 264: ok 13950 264: ok 13951 264: ok 13952 264: ok 13953 264: ok 13954 264: ok 13955 264: ok 13956 264: ok 13957 264: ok 13958 264: ok 13959 264: ok 13960 264: ok 13961 264: ok 13962 264: ok 13963 264: ok 13964 264: ok 13965 264: ok 13966 264: ok 13967 264: ok 13968 264: ok 13969 264: ok 13970 264: ok 13971 264: ok 13972 264: ok 13973 264: ok 13974 264: ok 13975 264: ok 13976 264: ok 13977 264: ok 13978 264: ok 13979 264: ok 13980 264: ok 13981 264: ok 13982 264: ok 13983 264: ok 13984 264: ok 13985 264: ok 13986 264: ok 13987 264: ok 13988 264: ok 13989 264: ok 13990 264: ok 13991 264: ok 13992 264: ok 13993 264: ok 13994 264: ok 13995 264: ok 13996 264: ok 13997 264: ok 13998 264: ok 13999 264: ok 14000 264: # math: passed testArithmeticOperators 264: # math: entering testDistancesAnglesOrthogonality 264: ok 14001 264: ok 14002 264: ok 14003 264: ok 14004 264: ok 14005 264: ok 14006 264: ok 14007 264: ok 14008 264: ok 14009 264: ok 14010 264: ok 14011 264: ok 14012 264: ok 14013 264: ok 14014 264: ok 14015 264: ok 14016 264: ok 14017 264: ok 14018 264: ok 14019 264: ok 14020 264: ok 14021 264: ok 14022 264: ok 14023 264: ok 14024 264: ok 14025 264: ok 14026 264: ok 14027 264: ok 14028 264: ok 14029 264: ok 14030 264: ok 14031 264: ok 14032 264: ok 14033 264: ok 14034 264: ok 14035 264: ok 14036 264: ok 14037 264: ok 14038 264: ok 14039 264: ok 14040 264: ok 14041 264: ok 14042 264: ok 14043 264: ok 14044 264: ok 14045 264: ok 14046 264: ok 14047 264: ok 14048 264: ok 14049 264: ok 14050 264: ok 14051 264: ok 14052 264: ok 14053 264: ok 14054 264: ok 14055 264: ok 14056 264: ok 14057 264: ok 14058 264: ok 14059 264: ok 14060 264: ok 14061 264: ok 14062 264: ok 14063 264: ok 14064 264: ok 14065 264: ok 14066 264: ok 14067 264: ok 14068 264: ok 14069 264: ok 14070 264: ok 14071 264: ok 14072 264: ok 14073 264: ok 14074 264: ok 14075 264: ok 14076 264: ok 14077 264: ok 14078 264: ok 14079 264: ok 14080 264: ok 14081 264: ok 14082 264: ok 14083 264: ok 14084 264: ok 14085 264: ok 14086 264: ok 14087 264: ok 14088 264: ok 14089 264: ok 14090 264: ok 14091 264: ok 14092 264: ok 14093 264: ok 14094 264: ok 14095 264: ok 14096 264: ok 14097 264: ok 14098 264: ok 14099 264: ok 14100 264: ok 14101 264: ok 14102 264: ok 14103 264: ok 14104 264: ok 14105 264: ok 14106 264: ok 14107 264: ok 14108 264: ok 14109 264: ok 14110 264: ok 14111 264: ok 14112 264: ok 14113 264: ok 14114 264: ok 14115 264: ok 14116 264: ok 14117 264: ok 14118 264: ok 14119 264: ok 14120 264: ok 14121 264: ok 14122 264: ok 14123 264: ok 14124 264: ok 14125 264: ok 14126 264: ok 14127 264: ok 14128 264: ok 14129 264: ok 14130 264: ok 14131 264: ok 14132 264: ok 14133 264: ok 14134 264: ok 14135 264: ok 14136 264: ok 14137 264: ok 14138 264: ok 14139 264: ok 14140 264: ok 14141 264: ok 14142 264: ok 14143 264: ok 14144 264: ok 14145 264: ok 14146 264: ok 14147 264: ok 14148 264: ok 14149 264: ok 14150 264: ok 14151 264: ok 14152 264: ok 14153 264: ok 14154 264: ok 14155 264: ok 14156 264: ok 14157 264: ok 14158 264: ok 14159 264: ok 14160 264: ok 14161 264: ok 14162 264: ok 14163 264: ok 14164 264: ok 14165 264: ok 14166 264: ok 14167 264: ok 14168 264: ok 14169 264: ok 14170 264: ok 14171 264: ok 14172 264: ok 14173 264: ok 14174 264: ok 14175 264: ok 14176 264: ok 14177 264: ok 14178 264: ok 14179 264: ok 14180 264: ok 14181 264: ok 14182 264: ok 14183 264: ok 14184 264: ok 14185 264: ok 14186 264: ok 14187 264: ok 14188 264: ok 14189 264: ok 14190 264: ok 14191 264: ok 14192 264: ok 14193 264: ok 14194 264: ok 14195 264: ok 14196 264: ok 14197 264: ok 14198 264: ok 14199 264: ok 14200 264: ok 14201 264: ok 14202 264: ok 14203 264: ok 14204 264: ok 14205 264: ok 14206 264: ok 14207 264: ok 14208 264: ok 14209 264: ok 14210 264: ok 14211 264: ok 14212 264: ok 14213 264: ok 14214 264: ok 14215 264: ok 14216 264: ok 14217 264: ok 14218 264: ok 14219 264: ok 14220 264: ok 14221 264: ok 14222 264: ok 14223 264: ok 14224 264: ok 14225 264: ok 14226 264: ok 14227 264: ok 14228 264: ok 14229 264: ok 14230 264: ok 14231 264: ok 14232 264: ok 14233 264: ok 14234 264: ok 14235 264: ok 14236 264: ok 14237 264: ok 14238 264: ok 14239 264: ok 14240 264: ok 14241 264: ok 14242 264: ok 14243 264: ok 14244 264: ok 14245 264: ok 14246 264: ok 14247 264: ok 14248 264: ok 14249 264: ok 14250 264: ok 14251 264: ok 14252 264: ok 14253 264: ok 14254 264: ok 14255 264: ok 14256 264: ok 14257 264: ok 14258 264: ok 14259 264: ok 14260 264: ok 14261 264: ok 14262 264: ok 14263 264: ok 14264 264: ok 14265 264: ok 14266 264: ok 14267 264: ok 14268 264: ok 14269 264: ok 14270 264: ok 14271 264: ok 14272 264: ok 14273 264: ok 14274 264: ok 14275 264: ok 14276 264: ok 14277 264: ok 14278 264: ok 14279 264: ok 14280 264: ok 14281 264: ok 14282 264: ok 14283 264: ok 14284 264: ok 14285 264: ok 14286 264: ok 14287 264: ok 14288 264: ok 14289 264: ok 14290 264: ok 14291 264: ok 14292 264: ok 14293 264: ok 14294 264: ok 14295 264: ok 14296 264: ok 14297 264: ok 14298 264: ok 14299 264: ok 14300 264: ok 14301 264: ok 14302 264: ok 14303 264: ok 14304 264: ok 14305 264: ok 14306 264: ok 14307 264: ok 14308 264: ok 14309 264: ok 14310 264: ok 14311 264: ok 14312 264: ok 14313 264: ok 14314 264: ok 14315 264: ok 14316 264: ok 14317 264: ok 14318 264: ok 14319 264: ok 14320 264: ok 14321 264: ok 14322 264: ok 14323 264: ok 14324 264: ok 14325 264: ok 14326 264: ok 14327 264: ok 14328 264: ok 14329 264: ok 14330 264: ok 14331 264: ok 14332 264: ok 14333 264: ok 14334 264: ok 14335 264: ok 14336 264: ok 14337 264: ok 14338 264: ok 14339 264: ok 14340 264: ok 14341 264: ok 14342 264: ok 14343 264: ok 14344 264: ok 14345 264: ok 14346 264: ok 14347 264: ok 14348 264: ok 14349 264: ok 14350 264: ok 14351 264: ok 14352 264: ok 14353 264: ok 14354 264: ok 14355 264: ok 14356 264: ok 14357 264: ok 14358 264: ok 14359 264: ok 14360 264: ok 14361 264: ok 14362 264: ok 14363 264: ok 14364 264: ok 14365 264: ok 14366 264: ok 14367 264: ok 14368 264: ok 14369 264: ok 14370 264: ok 14371 264: ok 14372 264: ok 14373 264: ok 14374 264: ok 14375 264: ok 14376 264: ok 14377 264: ok 14378 264: ok 14379 264: ok 14380 264: ok 14381 264: ok 14382 264: ok 14383 264: ok 14384 264: ok 14385 264: ok 14386 264: ok 14387 264: ok 14388 264: ok 14389 264: ok 14390 264: ok 14391 264: ok 14392 264: ok 14393 264: ok 14394 264: ok 14395 264: ok 14396 264: ok 14397 264: ok 14398 264: ok 14399 264: ok 14400 264: ok 14401 264: ok 14402 264: ok 14403 264: ok 14404 264: ok 14405 264: ok 14406 264: ok 14407 264: ok 14408 264: ok 14409 264: ok 14410 264: ok 14411 264: ok 14412 264: ok 14413 264: ok 14414 264: ok 14415 264: ok 14416 264: ok 14417 264: ok 14418 264: ok 14419 264: ok 14420 264: ok 14421 264: ok 14422 264: ok 14423 264: ok 14424 264: ok 14425 264: ok 14426 264: ok 14427 264: ok 14428 264: ok 14429 264: ok 14430 264: ok 14431 264: ok 14432 264: ok 14433 264: ok 14434 264: ok 14435 264: ok 14436 264: ok 14437 264: ok 14438 264: ok 14439 264: ok 14440 264: ok 14441 264: ok 14442 264: ok 14443 264: ok 14444 264: ok 14445 264: ok 14446 264: ok 14447 264: ok 14448 264: ok 14449 264: ok 14450 264: ok 14451 264: ok 14452 264: ok 14453 264: ok 14454 264: ok 14455 264: ok 14456 264: ok 14457 264: ok 14458 264: ok 14459 264: ok 14460 264: ok 14461 264: ok 14462 264: ok 14463 264: ok 14464 264: ok 14465 264: ok 14466 264: ok 14467 264: ok 14468 264: ok 14469 264: ok 14470 264: ok 14471 264: ok 14472 264: ok 14473 264: ok 14474 264: ok 14475 264: ok 14476 264: ok 14477 264: ok 14478 264: ok 14479 264: ok 14480 264: ok 14481 264: ok 14482 264: ok 14483 264: ok 14484 264: ok 14485 264: ok 14486 264: ok 14487 264: ok 14488 264: ok 14489 264: ok 14490 264: ok 14491 264: ok 14492 264: ok 14493 264: ok 14494 264: ok 14495 264: ok 14496 264: ok 14497 264: ok 14498 264: ok 14499 264: ok 14500 264: ok 14501 264: ok 14502 264: ok 14503 264: ok 14504 264: ok 14505 264: ok 14506 264: ok 14507 264: ok 14508 264: ok 14509 264: ok 14510 264: ok 14511 264: ok 14512 264: ok 14513 264: ok 14514 264: ok 14515 264: ok 14516 264: ok 14517 264: ok 14518 264: ok 14519 264: ok 14520 264: ok 14521 264: ok 14522 264: ok 14523 264: ok 14524 264: ok 14525 264: ok 14526 264: ok 14527 264: ok 14528 264: ok 14529 264: ok 14530 264: ok 14531 264: ok 14532 264: ok 14533 264: ok 14534 264: ok 14535 264: ok 14536 264: ok 14537 264: ok 14538 264: ok 14539 264: ok 14540 264: ok 14541 264: ok 14542 264: ok 14543 264: ok 14544 264: ok 14545 264: ok 14546 264: ok 14547 264: ok 14548 264: ok 14549 264: ok 14550 264: ok 14551 264: ok 14552 264: ok 14553 264: ok 14554 264: ok 14555 264: ok 14556 264: ok 14557 264: ok 14558 264: ok 14559 264: ok 14560 264: ok 14561 264: ok 14562 264: ok 14563 264: ok 14564 264: ok 14565 264: ok 14566 264: ok 14567 264: ok 14568 264: ok 14569 264: ok 14570 264: ok 14571 264: ok 14572 264: ok 14573 264: ok 14574 264: ok 14575 264: ok 14576 264: ok 14577 264: ok 14578 264: ok 14579 264: ok 14580 264: ok 14581 264: ok 14582 264: ok 14583 264: ok 14584 264: ok 14585 264: ok 14586 264: ok 14587 264: ok 14588 264: ok 14589 264: ok 14590 264: ok 14591 264: ok 14592 264: ok 14593 264: ok 14594 264: ok 14595 264: ok 14596 264: ok 14597 264: ok 14598 264: ok 14599 264: ok 14600 264: ok 14601 264: ok 14602 264: ok 14603 264: ok 14604 264: ok 14605 264: ok 14606 264: ok 14607 264: ok 14608 264: ok 14609 264: ok 14610 264: ok 14611 264: ok 14612 264: ok 14613 264: ok 14614 264: ok 14615 264: ok 14616 264: ok 14617 264: ok 14618 264: ok 14619 264: ok 14620 264: ok 14621 264: ok 14622 264: ok 14623 264: ok 14624 264: ok 14625 264: ok 14626 264: ok 14627 264: ok 14628 264: ok 14629 264: ok 14630 264: ok 14631 264: ok 14632 264: ok 14633 264: ok 14634 264: ok 14635 264: ok 14636 264: ok 14637 264: ok 14638 264: ok 14639 264: ok 14640 264: ok 14641 264: ok 14642 264: ok 14643 264: ok 14644 264: ok 14645 264: ok 14646 264: ok 14647 264: ok 14648 264: ok 14649 264: ok 14650 264: ok 14651 264: ok 14652 264: ok 14653 264: ok 14654 264: ok 14655 264: ok 14656 264: ok 14657 264: ok 14658 264: ok 14659 264: ok 14660 264: ok 14661 264: ok 14662 264: ok 14663 264: ok 14664 264: ok 14665 264: ok 14666 264: ok 14667 264: ok 14668 264: ok 14669 264: ok 14670 264: ok 14671 264: ok 14672 264: ok 14673 264: ok 14674 264: ok 14675 264: ok 14676 264: ok 14677 264: ok 14678 264: ok 14679 264: ok 14680 264: ok 14681 264: ok 14682 264: ok 14683 264: ok 14684 264: ok 14685 264: ok 14686 264: ok 14687 264: ok 14688 264: ok 14689 264: ok 14690 264: ok 14691 264: ok 14692 264: ok 14693 264: ok 14694 264: ok 14695 264: ok 14696 264: ok 14697 264: ok 14698 264: ok 14699 264: ok 14700 264: ok 14701 264: ok 14702 264: ok 14703 264: ok 14704 264: ok 14705 264: ok 14706 264: ok 14707 264: ok 14708 264: ok 14709 264: ok 14710 264: ok 14711 264: ok 14712 264: ok 14713 264: ok 14714 264: ok 14715 264: ok 14716 264: ok 14717 264: ok 14718 264: ok 14719 264: ok 14720 264: ok 14721 264: ok 14722 264: ok 14723 264: ok 14724 264: ok 14725 264: ok 14726 264: ok 14727 264: ok 14728 264: ok 14729 264: ok 14730 264: ok 14731 264: ok 14732 264: ok 14733 264: ok 14734 264: ok 14735 264: ok 14736 264: ok 14737 264: ok 14738 264: ok 14739 264: ok 14740 264: ok 14741 264: ok 14742 264: ok 14743 264: ok 14744 264: ok 14745 264: ok 14746 264: ok 14747 264: ok 14748 264: ok 14749 264: ok 14750 264: ok 14751 264: ok 14752 264: ok 14753 264: ok 14754 264: ok 14755 264: ok 14756 264: ok 14757 264: ok 14758 264: ok 14759 264: ok 14760 264: ok 14761 264: ok 14762 264: ok 14763 264: ok 14764 264: ok 14765 264: ok 14766 264: ok 14767 264: ok 14768 264: ok 14769 264: ok 14770 264: ok 14771 264: ok 14772 264: ok 14773 264: ok 14774 264: ok 14775 264: ok 14776 264: ok 14777 264: ok 14778 264: ok 14779 264: ok 14780 264: ok 14781 264: ok 14782 264: ok 14783 264: ok 14784 264: ok 14785 264: ok 14786 264: ok 14787 264: ok 14788 264: ok 14789 264: ok 14790 264: ok 14791 264: ok 14792 264: ok 14793 264: ok 14794 264: ok 14795 264: ok 14796 264: ok 14797 264: ok 14798 264: ok 14799 264: ok 14800 264: ok 14801 264: ok 14802 264: ok 14803 264: ok 14804 264: ok 14805 264: ok 14806 264: ok 14807 264: ok 14808 264: ok 14809 264: ok 14810 264: ok 14811 264: ok 14812 264: ok 14813 264: ok 14814 264: ok 14815 264: ok 14816 264: ok 14817 264: ok 14818 264: ok 14819 264: ok 14820 264: ok 14821 264: ok 14822 264: ok 14823 264: ok 14824 264: ok 14825 264: ok 14826 264: ok 14827 264: ok 14828 264: ok 14829 264: ok 14830 264: ok 14831 264: ok 14832 264: ok 14833 264: ok 14834 264: ok 14835 264: ok 14836 264: ok 14837 264: ok 14838 264: ok 14839 264: ok 14840 264: ok 14841 264: ok 14842 264: ok 14843 264: ok 14844 264: ok 14845 264: ok 14846 264: ok 14847 264: ok 14848 264: ok 14849 264: ok 14850 264: ok 14851 264: ok 14852 264: ok 14853 264: ok 14854 264: ok 14855 264: ok 14856 264: ok 14857 264: ok 14858 264: ok 14859 264: ok 14860 264: ok 14861 264: ok 14862 264: ok 14863 264: ok 14864 264: ok 14865 264: ok 14866 264: ok 14867 264: ok 14868 264: ok 14869 264: ok 14870 264: ok 14871 264: ok 14872 264: ok 14873 264: ok 14874 264: ok 14875 264: ok 14876 264: ok 14877 264: ok 14878 264: ok 14879 264: ok 14880 264: ok 14881 264: ok 14882 264: ok 14883 264: ok 14884 264: ok 14885 264: ok 14886 264: ok 14887 264: ok 14888 264: ok 14889 264: ok 14890 264: ok 14891 264: ok 14892 264: ok 14893 264: ok 14894 264: ok 14895 264: ok 14896 264: ok 14897 264: ok 14898 264: ok 14899 264: ok 14900 264: ok 14901 264: ok 14902 264: ok 14903 264: ok 14904 264: ok 14905 264: ok 14906 264: ok 14907 264: ok 14908 264: ok 14909 264: ok 14910 264: ok 14911 264: ok 14912 264: ok 14913 264: ok 14914 264: ok 14915 264: ok 14916 264: ok 14917 264: ok 14918 264: ok 14919 264: ok 14920 264: ok 14921 264: ok 14922 264: ok 14923 264: ok 14924 264: ok 14925 264: ok 14926 264: ok 14927 264: ok 14928 264: ok 14929 264: ok 14930 264: ok 14931 264: ok 14932 264: ok 14933 264: ok 14934 264: ok 14935 264: ok 14936 264: ok 14937 264: ok 14938 264: ok 14939 264: ok 14940 264: ok 14941 264: ok 14942 264: ok 14943 264: ok 14944 264: ok 14945 264: ok 14946 264: ok 14947 264: ok 14948 264: ok 14949 264: ok 14950 264: ok 14951 264: ok 14952 264: ok 14953 264: ok 14954 264: ok 14955 264: ok 14956 264: ok 14957 264: ok 14958 264: ok 14959 264: ok 14960 264: ok 14961 264: ok 14962 264: ok 14963 264: ok 14964 264: ok 14965 264: ok 14966 264: ok 14967 264: ok 14968 264: ok 14969 264: ok 14970 264: ok 14971 264: ok 14972 264: ok 14973 264: ok 14974 264: ok 14975 264: ok 14976 264: ok 14977 264: ok 14978 264: ok 14979 264: ok 14980 264: ok 14981 264: ok 14982 264: ok 14983 264: ok 14984 264: ok 14985 264: ok 14986 264: ok 14987 264: ok 14988 264: ok 14989 264: ok 14990 264: ok 14991 264: ok 14992 264: ok 14993 264: ok 14994 264: ok 14995 264: ok 14996 264: ok 14997 264: ok 14998 264: ok 14999 264: ok 15000 264: ok 15001 264: ok 15002 264: ok 15003 264: ok 15004 264: ok 15005 264: ok 15006 264: ok 15007 264: ok 15008 264: ok 15009 264: ok 15010 264: ok 15011 264: ok 15012 264: ok 15013 264: ok 15014 264: ok 15015 264: ok 15016 264: ok 15017 264: ok 15018 264: ok 15019 264: ok 15020 264: ok 15021 264: ok 15022 264: ok 15023 264: ok 15024 264: ok 15025 264: ok 15026 264: ok 15027 264: ok 15028 264: ok 15029 264: ok 15030 264: ok 15031 264: ok 15032 264: ok 15033 264: ok 15034 264: ok 15035 264: ok 15036 264: ok 15037 264: ok 15038 264: ok 15039 264: ok 15040 264: ok 15041 264: ok 15042 264: ok 15043 264: ok 15044 264: ok 15045 264: ok 15046 264: ok 15047 264: ok 15048 264: ok 15049 264: ok 15050 264: ok 15051 264: ok 15052 264: ok 15053 264: ok 15054 264: ok 15055 264: ok 15056 264: ok 15057 264: ok 15058 264: ok 15059 264: ok 15060 264: ok 15061 264: ok 15062 264: ok 15063 264: ok 15064 264: ok 15065 264: ok 15066 264: ok 15067 264: ok 15068 264: ok 15069 264: ok 15070 264: ok 15071 264: ok 15072 264: ok 15073 264: ok 15074 264: ok 15075 264: ok 15076 264: ok 15077 264: ok 15078 264: ok 15079 264: ok 15080 264: ok 15081 264: ok 15082 264: ok 15083 264: ok 15084 264: ok 15085 264: ok 15086 264: ok 15087 264: ok 15088 264: ok 15089 264: ok 15090 264: ok 15091 264: ok 15092 264: ok 15093 264: ok 15094 264: ok 15095 264: ok 15096 264: ok 15097 264: ok 15098 264: ok 15099 264: ok 15100 264: ok 15101 264: ok 15102 264: ok 15103 264: ok 15104 264: ok 15105 264: ok 15106 264: ok 15107 264: ok 15108 264: ok 15109 264: ok 15110 264: ok 15111 264: ok 15112 264: ok 15113 264: ok 15114 264: ok 15115 264: ok 15116 264: ok 15117 264: ok 15118 264: ok 15119 264: ok 15120 264: ok 15121 264: ok 15122 264: ok 15123 264: ok 15124 264: ok 15125 264: ok 15126 264: ok 15127 264: ok 15128 264: ok 15129 264: ok 15130 264: ok 15131 264: ok 15132 264: ok 15133 264: ok 15134 264: ok 15135 264: ok 15136 264: ok 15137 264: ok 15138 264: ok 15139 264: ok 15140 264: ok 15141 264: ok 15142 264: ok 15143 264: ok 15144 264: ok 15145 264: ok 15146 264: ok 15147 264: ok 15148 264: ok 15149 264: ok 15150 264: ok 15151 264: ok 15152 264: ok 15153 264: ok 15154 264: ok 15155 264: ok 15156 264: ok 15157 264: ok 15158 264: ok 15159 264: ok 15160 264: ok 15161 264: ok 15162 264: ok 15163 264: ok 15164 264: ok 15165 264: ok 15166 264: ok 15167 264: ok 15168 264: ok 15169 264: ok 15170 264: ok 15171 264: ok 15172 264: ok 15173 264: ok 15174 264: ok 15175 264: ok 15176 264: ok 15177 264: ok 15178 264: ok 15179 264: ok 15180 264: ok 15181 264: ok 15182 264: ok 15183 264: ok 15184 264: ok 15185 264: ok 15186 264: ok 15187 264: ok 15188 264: ok 15189 264: ok 15190 264: ok 15191 264: ok 15192 264: ok 15193 264: ok 15194 264: ok 15195 264: ok 15196 264: ok 15197 264: ok 15198 264: ok 15199 264: ok 15200 264: ok 15201 264: ok 15202 264: ok 15203 264: ok 15204 264: ok 15205 264: ok 15206 264: ok 15207 264: ok 15208 264: ok 15209 264: ok 15210 264: ok 15211 264: ok 15212 264: ok 15213 264: ok 15214 264: ok 15215 264: ok 15216 264: ok 15217 264: ok 15218 264: ok 15219 264: ok 15220 264: ok 15221 264: ok 15222 264: ok 15223 264: ok 15224 264: ok 15225 264: ok 15226 264: ok 15227 264: ok 15228 264: ok 15229 264: ok 15230 264: ok 15231 264: ok 15232 264: ok 15233 264: ok 15234 264: ok 15235 264: ok 15236 264: ok 15237 264: ok 15238 264: ok 15239 264: ok 15240 264: ok 15241 264: ok 15242 264: ok 15243 264: ok 15244 264: ok 15245 264: ok 15246 264: ok 15247 264: ok 15248 264: ok 15249 264: ok 15250 264: ok 15251 264: ok 15252 264: ok 15253 264: ok 15254 264: ok 15255 264: ok 15256 264: ok 15257 264: ok 15258 264: ok 15259 264: ok 15260 264: ok 15261 264: ok 15262 264: ok 15263 264: ok 15264 264: ok 15265 264: ok 15266 264: ok 15267 264: ok 15268 264: ok 15269 264: ok 15270 264: ok 15271 264: ok 15272 264: ok 15273 264: ok 15274 264: ok 15275 264: ok 15276 264: ok 15277 264: ok 15278 264: ok 15279 264: ok 15280 264: ok 15281 264: ok 15282 264: ok 15283 264: ok 15284 264: ok 15285 264: ok 15286 264: ok 15287 264: ok 15288 264: ok 15289 264: ok 15290 264: ok 15291 264: ok 15292 264: ok 15293 264: ok 15294 264: ok 15295 264: ok 15296 264: ok 15297 264: ok 15298 264: ok 15299 264: ok 15300 264: ok 15301 264: ok 15302 264: ok 15303 264: ok 15304 264: ok 15305 264: ok 15306 264: ok 15307 264: ok 15308 264: ok 15309 264: ok 15310 264: ok 15311 264: ok 15312 264: ok 15313 264: ok 15314 264: ok 15315 264: ok 15316 264: ok 15317 264: ok 15318 264: ok 15319 264: ok 15320 264: ok 15321 264: ok 15322 264: ok 15323 264: ok 15324 264: ok 15325 264: ok 15326 264: ok 15327 264: ok 15328 264: ok 15329 264: ok 15330 264: ok 15331 264: ok 15332 264: ok 15333 264: ok 15334 264: ok 15335 264: ok 15336 264: ok 15337 264: ok 15338 264: ok 15339 264: ok 15340 264: ok 15341 264: ok 15342 264: ok 15343 264: ok 15344 264: ok 15345 264: ok 15346 264: ok 15347 264: ok 15348 264: ok 15349 264: ok 15350 264: ok 15351 264: ok 15352 264: ok 15353 264: ok 15354 264: ok 15355 264: ok 15356 264: ok 15357 264: ok 15358 264: ok 15359 264: ok 15360 264: ok 15361 264: ok 15362 264: ok 15363 264: ok 15364 264: ok 15365 264: ok 15366 264: ok 15367 264: ok 15368 264: ok 15369 264: ok 15370 264: ok 15371 264: ok 15372 264: ok 15373 264: ok 15374 264: ok 15375 264: ok 15376 264: ok 15377 264: ok 15378 264: ok 15379 264: ok 15380 264: ok 15381 264: ok 15382 264: ok 15383 264: ok 15384 264: ok 15385 264: ok 15386 264: ok 15387 264: ok 15388 264: ok 15389 264: ok 15390 264: ok 15391 264: ok 15392 264: ok 15393 264: ok 15394 264: ok 15395 264: ok 15396 264: ok 15397 264: ok 15398 264: ok 15399 264: ok 15400 264: ok 15401 264: ok 15402 264: ok 15403 264: ok 15404 264: ok 15405 264: ok 15406 264: ok 15407 264: ok 15408 264: ok 15409 264: ok 15410 264: ok 15411 264: ok 15412 264: ok 15413 264: ok 15414 264: ok 15415 264: ok 15416 264: ok 15417 264: ok 15418 264: ok 15419 264: ok 15420 264: ok 15421 264: ok 15422 264: ok 15423 264: ok 15424 264: ok 15425 264: ok 15426 264: ok 15427 264: ok 15428 264: ok 15429 264: ok 15430 264: ok 15431 264: ok 15432 264: ok 15433 264: ok 15434 264: ok 15435 264: ok 15436 264: ok 15437 264: ok 15438 264: ok 15439 264: ok 15440 264: ok 15441 264: ok 15442 264: ok 15443 264: ok 15444 264: ok 15445 264: ok 15446 264: ok 15447 264: ok 15448 264: ok 15449 264: ok 15450 264: ok 15451 264: ok 15452 264: ok 15453 264: ok 15454 264: ok 15455 264: ok 15456 264: ok 15457 264: ok 15458 264: ok 15459 264: ok 15460 264: ok 15461 264: ok 15462 264: ok 15463 264: ok 15464 264: ok 15465 264: ok 15466 264: ok 15467 264: ok 15468 264: ok 15469 264: ok 15470 264: ok 15471 264: ok 15472 264: ok 15473 264: ok 15474 264: ok 15475 264: ok 15476 264: ok 15477 264: ok 15478 264: ok 15479 264: ok 15480 264: ok 15481 264: ok 15482 264: ok 15483 264: ok 15484 264: ok 15485 264: ok 15486 264: ok 15487 264: ok 15488 264: ok 15489 264: ok 15490 264: ok 15491 264: ok 15492 264: ok 15493 264: ok 15494 264: ok 15495 264: ok 15496 264: ok 15497 264: ok 15498 264: ok 15499 264: ok 15500 264: ok 15501 264: ok 15502 264: ok 15503 264: ok 15504 264: ok 15505 264: ok 15506 264: ok 15507 264: ok 15508 264: ok 15509 264: ok 15510 264: ok 15511 264: ok 15512 264: ok 15513 264: ok 15514 264: ok 15515 264: ok 15516 264: ok 15517 264: ok 15518 264: ok 15519 264: ok 15520 264: ok 15521 264: ok 15522 264: ok 15523 264: ok 15524 264: ok 15525 264: ok 15526 264: ok 15527 264: ok 15528 264: ok 15529 264: ok 15530 264: ok 15531 264: ok 15532 264: ok 15533 264: ok 15534 264: ok 15535 264: ok 15536 264: ok 15537 264: ok 15538 264: ok 15539 264: ok 15540 264: ok 15541 264: ok 15542 264: ok 15543 264: ok 15544 264: ok 15545 264: ok 15546 264: ok 15547 264: ok 15548 264: ok 15549 264: ok 15550 264: ok 15551 264: ok 15552 264: ok 15553 264: ok 15554 264: ok 15555 264: ok 15556 264: ok 15557 264: ok 15558 264: ok 15559 264: ok 15560 264: ok 15561 264: ok 15562 264: ok 15563 264: ok 15564 264: ok 15565 264: ok 15566 264: ok 15567 264: ok 15568 264: ok 15569 264: ok 15570 264: ok 15571 264: ok 15572 264: ok 15573 264: ok 15574 264: ok 15575 264: ok 15576 264: ok 15577 264: ok 15578 264: ok 15579 264: ok 15580 264: ok 15581 264: ok 15582 264: ok 15583 264: ok 15584 264: ok 15585 264: ok 15586 264: ok 15587 264: ok 15588 264: ok 15589 264: ok 15590 264: ok 15591 264: ok 15592 264: ok 15593 264: ok 15594 264: ok 15595 264: ok 15596 264: ok 15597 264: ok 15598 264: ok 15599 264: ok 15600 264: ok 15601 264: ok 15602 264: ok 15603 264: ok 15604 264: ok 15605 264: ok 15606 264: ok 15607 264: ok 15608 264: ok 15609 264: ok 15610 264: ok 15611 264: ok 15612 264: ok 15613 264: ok 15614 264: ok 15615 264: ok 15616 264: ok 15617 264: ok 15618 264: ok 15619 264: ok 15620 264: ok 15621 264: ok 15622 264: ok 15623 264: ok 15624 264: ok 15625 264: ok 15626 264: ok 15627 264: ok 15628 264: ok 15629 264: ok 15630 264: ok 15631 264: ok 15632 264: ok 15633 264: ok 15634 264: ok 15635 264: ok 15636 264: ok 15637 264: ok 15638 264: ok 15639 264: ok 15640 264: ok 15641 264: ok 15642 264: ok 15643 264: ok 15644 264: ok 15645 264: ok 15646 264: ok 15647 264: ok 15648 264: ok 15649 264: ok 15650 264: ok 15651 264: ok 15652 264: ok 15653 264: ok 15654 264: ok 15655 264: ok 15656 264: ok 15657 264: ok 15658 264: ok 15659 264: ok 15660 264: ok 15661 264: ok 15662 264: ok 15663 264: ok 15664 264: ok 15665 264: ok 15666 264: ok 15667 264: ok 15668 264: ok 15669 264: ok 15670 264: ok 15671 264: ok 15672 264: ok 15673 264: ok 15674 264: ok 15675 264: ok 15676 264: ok 15677 264: ok 15678 264: ok 15679 264: ok 15680 264: ok 15681 264: ok 15682 264: ok 15683 264: ok 15684 264: ok 15685 264: ok 15686 264: ok 15687 264: ok 15688 264: ok 15689 264: ok 15690 264: ok 15691 264: ok 15692 264: ok 15693 264: ok 15694 264: ok 15695 264: ok 15696 264: ok 15697 264: ok 15698 264: ok 15699 264: ok 15700 264: ok 15701 264: ok 15702 264: ok 15703 264: ok 15704 264: ok 15705 264: ok 15706 264: ok 15707 264: ok 15708 264: ok 15709 264: ok 15710 264: ok 15711 264: ok 15712 264: ok 15713 264: ok 15714 264: ok 15715 264: ok 15716 264: ok 15717 264: ok 15718 264: ok 15719 264: ok 15720 264: ok 15721 264: ok 15722 264: ok 15723 264: ok 15724 264: ok 15725 264: ok 15726 264: ok 15727 264: ok 15728 264: ok 15729 264: ok 15730 264: ok 15731 264: ok 15732 264: ok 15733 264: ok 15734 264: ok 15735 264: ok 15736 264: ok 15737 264: ok 15738 264: ok 15739 264: ok 15740 264: ok 15741 264: ok 15742 264: ok 15743 264: ok 15744 264: ok 15745 264: ok 15746 264: ok 15747 264: ok 15748 264: ok 15749 264: ok 15750 264: ok 15751 264: ok 15752 264: ok 15753 264: ok 15754 264: ok 15755 264: ok 15756 264: ok 15757 264: ok 15758 264: ok 15759 264: ok 15760 264: ok 15761 264: ok 15762 264: ok 15763 264: ok 15764 264: ok 15765 264: ok 15766 264: ok 15767 264: ok 15768 264: ok 15769 264: ok 15770 264: ok 15771 264: ok 15772 264: ok 15773 264: ok 15774 264: ok 15775 264: ok 15776 264: ok 15777 264: ok 15778 264: ok 15779 264: ok 15780 264: ok 15781 264: ok 15782 264: ok 15783 264: ok 15784 264: ok 15785 264: ok 15786 264: ok 15787 264: ok 15788 264: ok 15789 264: ok 15790 264: ok 15791 264: ok 15792 264: ok 15793 264: ok 15794 264: ok 15795 264: ok 15796 264: ok 15797 264: ok 15798 264: ok 15799 264: ok 15800 264: ok 15801 264: ok 15802 264: ok 15803 264: ok 15804 264: ok 15805 264: ok 15806 264: ok 15807 264: ok 15808 264: ok 15809 264: ok 15810 264: ok 15811 264: ok 15812 264: ok 15813 264: ok 15814 264: ok 15815 264: ok 15816 264: ok 15817 264: ok 15818 264: ok 15819 264: ok 15820 264: ok 15821 264: ok 15822 264: ok 15823 264: ok 15824 264: ok 15825 264: ok 15826 264: ok 15827 264: ok 15828 264: ok 15829 264: ok 15830 264: ok 15831 264: ok 15832 264: ok 15833 264: ok 15834 264: ok 15835 264: ok 15836 264: ok 15837 264: ok 15838 264: ok 15839 264: ok 15840 264: ok 15841 264: ok 15842 264: ok 15843 264: ok 15844 264: ok 15845 264: ok 15846 264: ok 15847 264: ok 15848 264: ok 15849 264: ok 15850 264: ok 15851 264: ok 15852 264: ok 15853 264: ok 15854 264: ok 15855 264: ok 15856 264: ok 15857 264: ok 15858 264: ok 15859 264: ok 15860 264: ok 15861 264: ok 15862 264: ok 15863 264: ok 15864 264: ok 15865 264: ok 15866 264: ok 15867 264: ok 15868 264: ok 15869 264: ok 15870 264: ok 15871 264: ok 15872 264: ok 15873 264: ok 15874 264: ok 15875 264: ok 15876 264: ok 15877 264: ok 15878 264: ok 15879 264: ok 15880 264: ok 15881 264: ok 15882 264: ok 15883 264: ok 15884 264: ok 15885 264: ok 15886 264: ok 15887 264: ok 15888 264: ok 15889 264: ok 15890 264: ok 15891 264: ok 15892 264: ok 15893 264: ok 15894 264: ok 15895 264: ok 15896 264: ok 15897 264: ok 15898 264: ok 15899 264: ok 15900 264: ok 15901 264: ok 15902 264: ok 15903 264: ok 15904 264: ok 15905 264: ok 15906 264: ok 15907 264: ok 15908 264: ok 15909 264: ok 15910 264: ok 15911 264: ok 15912 264: ok 15913 264: ok 15914 264: ok 15915 264: ok 15916 264: ok 15917 264: ok 15918 264: ok 15919 264: ok 15920 264: ok 15921 264: ok 15922 264: ok 15923 264: ok 15924 264: ok 15925 264: ok 15926 264: ok 15927 264: ok 15928 264: ok 15929 264: ok 15930 264: ok 15931 264: ok 15932 264: ok 15933 264: ok 15934 264: ok 15935 264: ok 15936 264: ok 15937 264: ok 15938 264: ok 15939 264: ok 15940 264: ok 15941 264: ok 15942 264: ok 15943 264: ok 15944 264: ok 15945 264: ok 15946 264: ok 15947 264: ok 15948 264: ok 15949 264: ok 15950 264: ok 15951 264: ok 15952 264: ok 15953 264: ok 15954 264: ok 15955 264: ok 15956 264: ok 15957 264: ok 15958 264: ok 15959 264: ok 15960 264: ok 15961 264: ok 15962 264: ok 15963 264: ok 15964 264: ok 15965 264: ok 15966 264: ok 15967 264: ok 15968 264: ok 15969 264: ok 15970 264: ok 15971 264: ok 15972 264: ok 15973 264: ok 15974 264: ok 15975 264: ok 15976 264: ok 15977 264: ok 15978 264: ok 15979 264: ok 15980 264: ok 15981 264: ok 15982 264: ok 15983 264: ok 15984 264: ok 15985 264: ok 15986 264: ok 15987 264: ok 15988 264: ok 15989 264: ok 15990 264: ok 15991 264: ok 15992 264: ok 15993 264: ok 15994 264: ok 15995 264: ok 15996 264: ok 15997 264: ok 15998 264: ok 15999 264: ok 16000 264: ok 16001 264: ok 16002 264: ok 16003 264: ok 16004 264: ok 16005 264: ok 16006 264: ok 16007 264: ok 16008 264: ok 16009 264: ok 16010 264: ok 16011 264: ok 16012 264: ok 16013 264: ok 16014 264: ok 16015 264: ok 16016 264: ok 16017 264: ok 16018 264: ok 16019 264: ok 16020 264: ok 16021 264: ok 16022 264: ok 16023 264: ok 16024 264: ok 16025 264: ok 16026 264: ok 16027 264: ok 16028 264: ok 16029 264: ok 16030 264: ok 16031 264: ok 16032 264: ok 16033 264: ok 16034 264: ok 16035 264: ok 16036 264: ok 16037 264: ok 16038 264: ok 16039 264: ok 16040 264: ok 16041 264: ok 16042 264: ok 16043 264: ok 16044 264: ok 16045 264: ok 16046 264: ok 16047 264: ok 16048 264: ok 16049 264: ok 16050 264: ok 16051 264: ok 16052 264: ok 16053 264: ok 16054 264: ok 16055 264: ok 16056 264: ok 16057 264: ok 16058 264: ok 16059 264: ok 16060 264: ok 16061 264: ok 16062 264: ok 16063 264: ok 16064 264: ok 16065 264: ok 16066 264: ok 16067 264: ok 16068 264: ok 16069 264: ok 16070 264: ok 16071 264: ok 16072 264: ok 16073 264: ok 16074 264: ok 16075 264: ok 16076 264: ok 16077 264: ok 16078 264: ok 16079 264: ok 16080 264: ok 16081 264: ok 16082 264: ok 16083 264: ok 16084 264: ok 16085 264: ok 16086 264: ok 16087 264: ok 16088 264: ok 16089 264: ok 16090 264: ok 16091 264: ok 16092 264: ok 16093 264: ok 16094 264: ok 16095 264: ok 16096 264: ok 16097 264: ok 16098 264: ok 16099 264: ok 16100 264: ok 16101 264: ok 16102 264: ok 16103 264: ok 16104 264: ok 16105 264: ok 16106 264: ok 16107 264: ok 16108 264: ok 16109 264: ok 16110 264: ok 16111 264: ok 16112 264: ok 16113 264: ok 16114 264: ok 16115 264: ok 16116 264: ok 16117 264: ok 16118 264: ok 16119 264: ok 16120 264: ok 16121 264: ok 16122 264: ok 16123 264: ok 16124 264: ok 16125 264: ok 16126 264: ok 16127 264: ok 16128 264: ok 16129 264: ok 16130 264: ok 16131 264: ok 16132 264: ok 16133 264: ok 16134 264: ok 16135 264: ok 16136 264: ok 16137 264: ok 16138 264: ok 16139 264: ok 16140 264: ok 16141 264: ok 16142 264: ok 16143 264: ok 16144 264: ok 16145 264: ok 16146 264: ok 16147 264: ok 16148 264: ok 16149 264: ok 16150 264: ok 16151 264: ok 16152 264: ok 16153 264: ok 16154 264: ok 16155 264: ok 16156 264: ok 16157 264: ok 16158 264: ok 16159 264: ok 16160 264: ok 16161 264: ok 16162 264: ok 16163 264: ok 16164 264: ok 16165 264: ok 16166 264: ok 16167 264: ok 16168 264: ok 16169 264: ok 16170 264: ok 16171 264: ok 16172 264: ok 16173 264: ok 16174 264: ok 16175 264: ok 16176 264: ok 16177 264: ok 16178 264: ok 16179 264: ok 16180 264: ok 16181 264: ok 16182 264: ok 16183 264: ok 16184 264: ok 16185 264: ok 16186 264: ok 16187 264: ok 16188 264: ok 16189 264: ok 16190 264: ok 16191 264: ok 16192 264: ok 16193 264: ok 16194 264: ok 16195 264: ok 16196 264: ok 16197 264: ok 16198 264: ok 16199 264: ok 16200 264: ok 16201 264: ok 16202 264: ok 16203 264: ok 16204 264: ok 16205 264: ok 16206 264: ok 16207 264: ok 16208 264: ok 16209 264: ok 16210 264: ok 16211 264: ok 16212 264: ok 16213 264: ok 16214 264: ok 16215 264: ok 16216 264: ok 16217 264: ok 16218 264: ok 16219 264: ok 16220 264: ok 16221 264: ok 16222 264: ok 16223 264: ok 16224 264: ok 16225 264: ok 16226 264: ok 16227 264: ok 16228 264: ok 16229 264: ok 16230 264: ok 16231 264: ok 16232 264: ok 16233 264: ok 16234 264: ok 16235 264: ok 16236 264: ok 16237 264: ok 16238 264: ok 16239 264: ok 16240 264: ok 16241 264: ok 16242 264: ok 16243 264: ok 16244 264: ok 16245 264: ok 16246 264: ok 16247 264: ok 16248 264: ok 16249 264: ok 16250 264: ok 16251 264: ok 16252 264: ok 16253 264: ok 16254 264: ok 16255 264: ok 16256 264: ok 16257 264: ok 16258 264: ok 16259 264: ok 16260 264: ok 16261 264: ok 16262 264: ok 16263 264: ok 16264 264: ok 16265 264: ok 16266 264: ok 16267 264: ok 16268 264: ok 16269 264: ok 16270 264: ok 16271 264: ok 16272 264: ok 16273 264: ok 16274 264: ok 16275 264: ok 16276 264: ok 16277 264: ok 16278 264: ok 16279 264: ok 16280 264: ok 16281 264: ok 16282 264: ok 16283 264: ok 16284 264: ok 16285 264: ok 16286 264: ok 16287 264: ok 16288 264: ok 16289 264: ok 16290 264: ok 16291 264: ok 16292 264: ok 16293 264: ok 16294 264: ok 16295 264: ok 16296 264: ok 16297 264: ok 16298 264: ok 16299 264: ok 16300 264: ok 16301 264: ok 16302 264: ok 16303 264: ok 16304 264: ok 16305 264: ok 16306 264: ok 16307 264: ok 16308 264: ok 16309 264: ok 16310 264: ok 16311 264: ok 16312 264: ok 16313 264: ok 16314 264: ok 16315 264: ok 16316 264: ok 16317 264: ok 16318 264: ok 16319 264: ok 16320 264: ok 16321 264: ok 16322 264: ok 16323 264: ok 16324 264: ok 16325 264: ok 16326 264: ok 16327 264: ok 16328 264: ok 16329 264: ok 16330 264: ok 16331 264: ok 16332 264: ok 16333 264: ok 16334 264: ok 16335 264: ok 16336 264: ok 16337 264: ok 16338 264: ok 16339 264: ok 16340 264: ok 16341 264: ok 16342 264: ok 16343 264: ok 16344 264: ok 16345 264: ok 16346 264: ok 16347 264: ok 16348 264: ok 16349 264: ok 16350 264: ok 16351 264: ok 16352 264: ok 16353 264: ok 16354 264: ok 16355 264: ok 16356 264: ok 16357 264: ok 16358 264: ok 16359 264: ok 16360 264: ok 16361 264: ok 16362 264: ok 16363 264: ok 16364 264: ok 16365 264: ok 16366 264: ok 16367 264: ok 16368 264: ok 16369 264: ok 16370 264: ok 16371 264: ok 16372 264: ok 16373 264: ok 16374 264: ok 16375 264: ok 16376 264: ok 16377 264: ok 16378 264: ok 16379 264: ok 16380 264: ok 16381 264: ok 16382 264: ok 16383 264: ok 16384 264: ok 16385 264: ok 16386 264: ok 16387 264: ok 16388 264: ok 16389 264: ok 16390 264: ok 16391 264: ok 16392 264: ok 16393 264: ok 16394 264: ok 16395 264: ok 16396 264: ok 16397 264: ok 16398 264: ok 16399 264: ok 16400 264: ok 16401 264: ok 16402 264: ok 16403 264: ok 16404 264: ok 16405 264: ok 16406 264: ok 16407 264: ok 16408 264: ok 16409 264: ok 16410 264: ok 16411 264: ok 16412 264: ok 16413 264: ok 16414 264: ok 16415 264: ok 16416 264: ok 16417 264: ok 16418 264: ok 16419 264: ok 16420 264: ok 16421 264: ok 16422 264: ok 16423 264: ok 16424 264: ok 16425 264: ok 16426 264: ok 16427 264: ok 16428 264: ok 16429 264: ok 16430 264: ok 16431 264: ok 16432 264: ok 16433 264: ok 16434 264: ok 16435 264: ok 16436 264: ok 16437 264: ok 16438 264: ok 16439 264: ok 16440 264: ok 16441 264: ok 16442 264: ok 16443 264: ok 16444 264: ok 16445 264: ok 16446 264: ok 16447 264: ok 16448 264: ok 16449 264: ok 16450 264: ok 16451 264: ok 16452 264: ok 16453 264: ok 16454 264: ok 16455 264: ok 16456 264: ok 16457 264: ok 16458 264: ok 16459 264: ok 16460 264: ok 16461 264: ok 16462 264: ok 16463 264: ok 16464 264: ok 16465 264: ok 16466 264: ok 16467 264: ok 16468 264: ok 16469 264: ok 16470 264: ok 16471 264: ok 16472 264: ok 16473 264: ok 16474 264: ok 16475 264: ok 16476 264: ok 16477 264: ok 16478 264: ok 16479 264: ok 16480 264: ok 16481 264: ok 16482 264: ok 16483 264: ok 16484 264: ok 16485 264: ok 16486 264: ok 16487 264: ok 16488 264: ok 16489 264: ok 16490 264: ok 16491 264: ok 16492 264: ok 16493 264: ok 16494 264: ok 16495 264: ok 16496 264: ok 16497 264: ok 16498 264: ok 16499 264: ok 16500 264: ok 16501 264: ok 16502 264: ok 16503 264: ok 16504 264: ok 16505 264: ok 16506 264: ok 16507 264: ok 16508 264: ok 16509 264: ok 16510 264: ok 16511 264: ok 16512 264: ok 16513 264: ok 16514 264: ok 16515 264: ok 16516 264: ok 16517 264: ok 16518 264: ok 16519 264: ok 16520 264: ok 16521 264: ok 16522 264: ok 16523 264: ok 16524 264: ok 16525 264: ok 16526 264: ok 16527 264: ok 16528 264: ok 16529 264: ok 16530 264: ok 16531 264: ok 16532 264: ok 16533 264: ok 16534 264: ok 16535 264: ok 16536 264: ok 16537 264: ok 16538 264: ok 16539 264: ok 16540 264: ok 16541 264: ok 16542 264: ok 16543 264: ok 16544 264: ok 16545 264: ok 16546 264: ok 16547 264: ok 16548 264: ok 16549 264: ok 16550 264: ok 16551 264: ok 16552 264: ok 16553 264: ok 16554 264: ok 16555 264: ok 16556 264: ok 16557 264: ok 16558 264: ok 16559 264: ok 16560 264: ok 16561 264: ok 16562 264: ok 16563 264: ok 16564 264: ok 16565 264: ok 16566 264: ok 16567 264: ok 16568 264: ok 16569 264: ok 16570 264: ok 16571 264: ok 16572 264: ok 16573 264: ok 16574 264: ok 16575 264: ok 16576 264: ok 16577 264: ok 16578 264: ok 16579 264: ok 16580 264: ok 16581 264: ok 16582 264: ok 16583 264: ok 16584 264: ok 16585 264: ok 16586 264: ok 16587 264: ok 16588 264: ok 16589 264: ok 16590 264: ok 16591 264: ok 16592 264: ok 16593 264: ok 16594 264: ok 16595 264: ok 16596 264: ok 16597 264: ok 16598 264: ok 16599 264: ok 16600 264: ok 16601 264: ok 16602 264: ok 16603 264: ok 16604 264: ok 16605 264: ok 16606 264: ok 16607 264: ok 16608 264: ok 16609 264: ok 16610 264: ok 16611 264: ok 16612 264: ok 16613 264: ok 16614 264: ok 16615 264: ok 16616 264: ok 16617 264: ok 16618 264: ok 16619 264: ok 16620 264: ok 16621 264: ok 16622 264: ok 16623 264: ok 16624 264: ok 16625 264: ok 16626 264: ok 16627 264: ok 16628 264: ok 16629 264: ok 16630 264: ok 16631 264: ok 16632 264: ok 16633 264: ok 16634 264: ok 16635 264: ok 16636 264: ok 16637 264: ok 16638 264: ok 16639 264: ok 16640 264: ok 16641 264: ok 16642 264: ok 16643 264: ok 16644 264: ok 16645 264: ok 16646 264: ok 16647 264: ok 16648 264: ok 16649 264: ok 16650 264: ok 16651 264: ok 16652 264: ok 16653 264: ok 16654 264: ok 16655 264: ok 16656 264: ok 16657 264: ok 16658 264: ok 16659 264: ok 16660 264: ok 16661 264: ok 16662 264: ok 16663 264: ok 16664 264: ok 16665 264: ok 16666 264: ok 16667 264: ok 16668 264: ok 16669 264: ok 16670 264: ok 16671 264: ok 16672 264: ok 16673 264: ok 16674 264: ok 16675 264: ok 16676 264: ok 16677 264: ok 16678 264: ok 16679 264: ok 16680 264: ok 16681 264: ok 16682 264: ok 16683 264: ok 16684 264: ok 16685 264: ok 16686 264: ok 16687 264: ok 16688 264: ok 16689 264: ok 16690 264: ok 16691 264: ok 16692 264: ok 16693 264: ok 16694 264: ok 16695 264: ok 16696 264: ok 16697 264: ok 16698 264: ok 16699 264: ok 16700 264: ok 16701 264: ok 16702 264: ok 16703 264: ok 16704 264: ok 16705 264: ok 16706 264: ok 16707 264: ok 16708 264: ok 16709 264: ok 16710 264: ok 16711 264: ok 16712 264: ok 16713 264: ok 16714 264: ok 16715 264: ok 16716 264: ok 16717 264: ok 16718 264: ok 16719 264: ok 16720 264: ok 16721 264: ok 16722 264: ok 16723 264: ok 16724 264: ok 16725 264: ok 16726 264: ok 16727 264: ok 16728 264: ok 16729 264: ok 16730 264: ok 16731 264: ok 16732 264: ok 16733 264: ok 16734 264: ok 16735 264: ok 16736 264: ok 16737 264: ok 16738 264: ok 16739 264: ok 16740 264: ok 16741 264: ok 16742 264: ok 16743 264: ok 16744 264: ok 16745 264: ok 16746 264: ok 16747 264: ok 16748 264: ok 16749 264: ok 16750 264: ok 16751 264: ok 16752 264: ok 16753 264: ok 16754 264: ok 16755 264: ok 16756 264: ok 16757 264: ok 16758 264: ok 16759 264: ok 16760 264: ok 16761 264: ok 16762 264: ok 16763 264: ok 16764 264: ok 16765 264: ok 16766 264: ok 16767 264: ok 16768 264: ok 16769 264: ok 16770 264: ok 16771 264: ok 16772 264: ok 16773 264: ok 16774 264: ok 16775 264: ok 16776 264: ok 16777 264: ok 16778 264: ok 16779 264: ok 16780 264: ok 16781 264: ok 16782 264: ok 16783 264: ok 16784 264: ok 16785 264: ok 16786 264: ok 16787 264: ok 16788 264: ok 16789 264: ok 16790 264: ok 16791 264: ok 16792 264: ok 16793 264: ok 16794 264: ok 16795 264: ok 16796 264: ok 16797 264: ok 16798 264: ok 16799 264: ok 16800 264: ok 16801 264: ok 16802 264: ok 16803 264: ok 16804 264: ok 16805 264: ok 16806 264: ok 16807 264: ok 16808 264: ok 16809 264: ok 16810 264: ok 16811 264: ok 16812 264: ok 16813 264: ok 16814 264: ok 16815 264: ok 16816 264: ok 16817 264: ok 16818 264: ok 16819 264: ok 16820 264: ok 16821 264: ok 16822 264: ok 16823 264: ok 16824 264: ok 16825 264: ok 16826 264: ok 16827 264: ok 16828 264: ok 16829 264: ok 16830 264: ok 16831 264: ok 16832 264: ok 16833 264: ok 16834 264: ok 16835 264: ok 16836 264: ok 16837 264: ok 16838 264: ok 16839 264: ok 16840 264: ok 16841 264: ok 16842 264: ok 16843 264: ok 16844 264: ok 16845 264: ok 16846 264: ok 16847 264: ok 16848 264: ok 16849 264: ok 16850 264: ok 16851 264: ok 16852 264: ok 16853 264: ok 16854 264: ok 16855 264: ok 16856 264: ok 16857 264: ok 16858 264: ok 16859 264: ok 16860 264: ok 16861 264: ok 16862 264: ok 16863 264: ok 16864 264: ok 16865 264: ok 16866 264: ok 16867 264: ok 16868 264: ok 16869 264: ok 16870 264: ok 16871 264: ok 16872 264: ok 16873 264: ok 16874 264: ok 16875 264: ok 16876 264: ok 16877 264: ok 16878 264: ok 16879 264: ok 16880 264: ok 16881 264: ok 16882 264: ok 16883 264: ok 16884 264: ok 16885 264: ok 16886 264: ok 16887 264: ok 16888 264: ok 16889 264: ok 16890 264: ok 16891 264: ok 16892 264: ok 16893 264: ok 16894 264: ok 16895 264: ok 16896 264: ok 16897 264: ok 16898 264: ok 16899 264: ok 16900 264: ok 16901 264: ok 16902 264: ok 16903 264: ok 16904 264: ok 16905 264: ok 16906 264: ok 16907 264: ok 16908 264: ok 16909 264: ok 16910 264: ok 16911 264: ok 16912 264: ok 16913 264: ok 16914 264: ok 16915 264: ok 16916 264: ok 16917 264: ok 16918 264: ok 16919 264: ok 16920 264: ok 16921 264: ok 16922 264: ok 16923 264: ok 16924 264: ok 16925 264: ok 16926 264: ok 16927 264: ok 16928 264: ok 16929 264: ok 16930 264: ok 16931 264: ok 16932 264: ok 16933 264: ok 16934 264: ok 16935 264: ok 16936 264: ok 16937 264: ok 16938 264: ok 16939 264: ok 16940 264: ok 16941 264: ok 16942 264: ok 16943 264: ok 16944 264: ok 16945 264: ok 16946 264: ok 16947 264: ok 16948 264: ok 16949 264: ok 16950 264: ok 16951 264: ok 16952 264: ok 16953 264: ok 16954 264: ok 16955 264: ok 16956 264: ok 16957 264: ok 16958 264: ok 16959 264: ok 16960 264: ok 16961 264: ok 16962 264: ok 16963 264: ok 16964 264: ok 16965 264: ok 16966 264: ok 16967 264: ok 16968 264: ok 16969 264: ok 16970 264: ok 16971 264: ok 16972 264: ok 16973 264: ok 16974 264: ok 16975 264: ok 16976 264: ok 16977 264: ok 16978 264: ok 16979 264: ok 16980 264: ok 16981 264: ok 16982 264: ok 16983 264: ok 16984 264: ok 16985 264: ok 16986 264: ok 16987 264: ok 16988 264: ok 16989 264: ok 16990 264: ok 16991 264: ok 16992 264: ok 16993 264: ok 16994 264: ok 16995 264: ok 16996 264: ok 16997 264: ok 16998 264: ok 16999 264: ok 17000 264: ok 17001 264: ok 17002 264: ok 17003 264: ok 17004 264: ok 17005 264: ok 17006 264: ok 17007 264: ok 17008 264: ok 17009 264: ok 17010 264: ok 17011 264: ok 17012 264: ok 17013 264: ok 17014 264: ok 17015 264: ok 17016 264: ok 17017 264: ok 17018 264: ok 17019 264: ok 17020 264: ok 17021 264: ok 17022 264: ok 17023 264: ok 17024 264: ok 17025 264: ok 17026 264: ok 17027 264: ok 17028 264: ok 17029 264: ok 17030 264: ok 17031 264: ok 17032 264: ok 17033 264: ok 17034 264: ok 17035 264: ok 17036 264: ok 17037 264: ok 17038 264: ok 17039 264: ok 17040 264: ok 17041 264: ok 17042 264: ok 17043 264: ok 17044 264: ok 17045 264: ok 17046 264: ok 17047 264: ok 17048 264: ok 17049 264: ok 17050 264: ok 17051 264: ok 17052 264: ok 17053 264: ok 17054 264: ok 17055 264: ok 17056 264: ok 17057 264: ok 17058 264: ok 17059 264: ok 17060 264: ok 17061 264: ok 17062 264: ok 17063 264: ok 17064 264: ok 17065 264: ok 17066 264: ok 17067 264: ok 17068 264: ok 17069 264: ok 17070 264: ok 17071 264: ok 17072 264: ok 17073 264: ok 17074 264: ok 17075 264: ok 17076 264: ok 17077 264: ok 17078 264: ok 17079 264: ok 17080 264: ok 17081 264: ok 17082 264: ok 17083 264: ok 17084 264: ok 17085 264: ok 17086 264: ok 17087 264: ok 17088 264: ok 17089 264: ok 17090 264: ok 17091 264: ok 17092 264: ok 17093 264: ok 17094 264: ok 17095 264: ok 17096 264: ok 17097 264: ok 17098 264: ok 17099 264: ok 17100 264: ok 17101 264: ok 17102 264: ok 17103 264: ok 17104 264: ok 17105 264: ok 17106 264: ok 17107 264: ok 17108 264: ok 17109 264: ok 17110 264: ok 17111 264: ok 17112 264: ok 17113 264: ok 17114 264: ok 17115 264: ok 17116 264: ok 17117 264: ok 17118 264: ok 17119 264: ok 17120 264: ok 17121 264: ok 17122 264: ok 17123 264: ok 17124 264: ok 17125 264: ok 17126 264: ok 17127 264: ok 17128 264: ok 17129 264: ok 17130 264: ok 17131 264: ok 17132 264: ok 17133 264: ok 17134 264: ok 17135 264: ok 17136 264: ok 17137 264: ok 17138 264: ok 17139 264: ok 17140 264: ok 17141 264: ok 17142 264: ok 17143 264: ok 17144 264: ok 17145 264: ok 17146 264: ok 17147 264: ok 17148 264: ok 17149 264: ok 17150 264: ok 17151 264: ok 17152 264: ok 17153 264: ok 17154 264: ok 17155 264: ok 17156 264: ok 17157 264: ok 17158 264: ok 17159 264: ok 17160 264: ok 17161 264: ok 17162 264: ok 17163 264: ok 17164 264: ok 17165 264: ok 17166 264: ok 17167 264: ok 17168 264: ok 17169 264: ok 17170 264: ok 17171 264: ok 17172 264: ok 17173 264: ok 17174 264: ok 17175 264: ok 17176 264: ok 17177 264: ok 17178 264: ok 17179 264: ok 17180 264: ok 17181 264: ok 17182 264: ok 17183 264: ok 17184 264: ok 17185 264: ok 17186 264: ok 17187 264: ok 17188 264: ok 17189 264: ok 17190 264: ok 17191 264: ok 17192 264: ok 17193 264: ok 17194 264: ok 17195 264: ok 17196 264: ok 17197 264: ok 17198 264: ok 17199 264: ok 17200 264: ok 17201 264: ok 17202 264: ok 17203 264: ok 17204 264: ok 17205 264: ok 17206 264: ok 17207 264: ok 17208 264: ok 17209 264: ok 17210 264: ok 17211 264: ok 17212 264: ok 17213 264: ok 17214 264: ok 17215 264: ok 17216 264: ok 17217 264: ok 17218 264: ok 17219 264: ok 17220 264: ok 17221 264: ok 17222 264: ok 17223 264: ok 17224 264: ok 17225 264: ok 17226 264: ok 17227 264: ok 17228 264: ok 17229 264: ok 17230 264: ok 17231 264: ok 17232 264: ok 17233 264: ok 17234 264: ok 17235 264: ok 17236 264: ok 17237 264: ok 17238 264: ok 17239 264: ok 17240 264: ok 17241 264: ok 17242 264: ok 17243 264: ok 17244 264: ok 17245 264: ok 17246 264: ok 17247 264: ok 17248 264: ok 17249 264: ok 17250 264: ok 17251 264: ok 17252 264: ok 17253 264: ok 17254 264: ok 17255 264: ok 17256 264: ok 17257 264: ok 17258 264: ok 17259 264: ok 17260 264: ok 17261 264: ok 17262 264: ok 17263 264: ok 17264 264: ok 17265 264: ok 17266 264: ok 17267 264: ok 17268 264: ok 17269 264: ok 17270 264: ok 17271 264: ok 17272 264: ok 17273 264: ok 17274 264: ok 17275 264: ok 17276 264: ok 17277 264: ok 17278 264: ok 17279 264: ok 17280 264: ok 17281 264: ok 17282 264: ok 17283 264: ok 17284 264: ok 17285 264: ok 17286 264: ok 17287 264: ok 17288 264: ok 17289 264: ok 17290 264: ok 17291 264: ok 17292 264: ok 17293 264: ok 17294 264: ok 17295 264: ok 17296 264: ok 17297 264: ok 17298 264: ok 17299 264: ok 17300 264: ok 17301 264: ok 17302 264: ok 17303 264: ok 17304 264: ok 17305 264: ok 17306 264: ok 17307 264: ok 17308 264: ok 17309 264: ok 17310 264: ok 17311 264: ok 17312 264: ok 17313 264: ok 17314 264: ok 17315 264: ok 17316 264: ok 17317 264: ok 17318 264: ok 17319 264: ok 17320 264: ok 17321 264: ok 17322 264: ok 17323 264: ok 17324 264: ok 17325 264: ok 17326 264: ok 17327 264: ok 17328 264: ok 17329 264: ok 17330 264: ok 17331 264: ok 17332 264: ok 17333 264: ok 17334 264: ok 17335 264: ok 17336 264: ok 17337 264: ok 17338 264: ok 17339 264: ok 17340 264: ok 17341 264: ok 17342 264: ok 17343 264: ok 17344 264: ok 17345 264: ok 17346 264: ok 17347 264: ok 17348 264: ok 17349 264: ok 17350 264: ok 17351 264: ok 17352 264: ok 17353 264: ok 17354 264: ok 17355 264: ok 17356 264: ok 17357 264: ok 17358 264: ok 17359 264: ok 17360 264: ok 17361 264: ok 17362 264: ok 17363 264: ok 17364 264: ok 17365 264: ok 17366 264: ok 17367 264: ok 17368 264: ok 17369 264: ok 17370 264: ok 17371 264: ok 17372 264: ok 17373 264: ok 17374 264: ok 17375 264: ok 17376 264: ok 17377 264: ok 17378 264: ok 17379 264: ok 17380 264: ok 17381 264: ok 17382 264: ok 17383 264: ok 17384 264: ok 17385 264: ok 17386 264: ok 17387 264: ok 17388 264: ok 17389 264: ok 17390 264: ok 17391 264: ok 17392 264: ok 17393 264: ok 17394 264: ok 17395 264: ok 17396 264: ok 17397 264: ok 17398 264: ok 17399 264: ok 17400 264: ok 17401 264: ok 17402 264: ok 17403 264: ok 17404 264: ok 17405 264: ok 17406 264: ok 17407 264: ok 17408 264: ok 17409 264: ok 17410 264: ok 17411 264: ok 17412 264: ok 17413 264: ok 17414 264: ok 17415 264: ok 17416 264: ok 17417 264: ok 17418 264: ok 17419 264: ok 17420 264: ok 17421 264: ok 17422 264: ok 17423 264: ok 17424 264: ok 17425 264: ok 17426 264: ok 17427 264: ok 17428 264: ok 17429 264: ok 17430 264: ok 17431 264: ok 17432 264: ok 17433 264: ok 17434 264: ok 17435 264: ok 17436 264: ok 17437 264: ok 17438 264: ok 17439 264: ok 17440 264: ok 17441 264: ok 17442 264: ok 17443 264: ok 17444 264: ok 17445 264: ok 17446 264: ok 17447 264: ok 17448 264: ok 17449 264: ok 17450 264: ok 17451 264: ok 17452 264: ok 17453 264: ok 17454 264: ok 17455 264: ok 17456 264: ok 17457 264: ok 17458 264: ok 17459 264: ok 17460 264: ok 17461 264: ok 17462 264: ok 17463 264: ok 17464 264: ok 17465 264: ok 17466 264: ok 17467 264: ok 17468 264: ok 17469 264: ok 17470 264: ok 17471 264: ok 17472 264: ok 17473 264: ok 17474 264: ok 17475 264: ok 17476 264: ok 17477 264: ok 17478 264: ok 17479 264: ok 17480 264: ok 17481 264: ok 17482 264: ok 17483 264: ok 17484 264: ok 17485 264: ok 17486 264: ok 17487 264: ok 17488 264: ok 17489 264: ok 17490 264: ok 17491 264: ok 17492 264: ok 17493 264: ok 17494 264: ok 17495 264: ok 17496 264: ok 17497 264: ok 17498 264: ok 17499 264: ok 17500 264: ok 17501 264: ok 17502 264: ok 17503 264: ok 17504 264: ok 17505 264: ok 17506 264: ok 17507 264: ok 17508 264: ok 17509 264: ok 17510 264: ok 17511 264: ok 17512 264: ok 17513 264: ok 17514 264: ok 17515 264: ok 17516 264: ok 17517 264: ok 17518 264: ok 17519 264: ok 17520 264: ok 17521 264: ok 17522 264: ok 17523 264: ok 17524 264: ok 17525 264: ok 17526 264: ok 17527 264: ok 17528 264: ok 17529 264: ok 17530 264: ok 17531 264: ok 17532 264: ok 17533 264: ok 17534 264: ok 17535 264: ok 17536 264: ok 17537 264: ok 17538 264: ok 17539 264: ok 17540 264: ok 17541 264: ok 17542 264: ok 17543 264: ok 17544 264: ok 17545 264: ok 17546 264: ok 17547 264: ok 17548 264: ok 17549 264: ok 17550 264: ok 17551 264: ok 17552 264: ok 17553 264: ok 17554 264: ok 17555 264: ok 17556 264: ok 17557 264: ok 17558 264: ok 17559 264: ok 17560 264: ok 17561 264: ok 17562 264: ok 17563 264: ok 17564 264: ok 17565 264: ok 17566 264: ok 17567 264: ok 17568 264: ok 17569 264: ok 17570 264: ok 17571 264: ok 17572 264: ok 17573 264: ok 17574 264: ok 17575 264: ok 17576 264: ok 17577 264: ok 17578 264: ok 17579 264: ok 17580 264: ok 17581 264: ok 17582 264: ok 17583 264: ok 17584 264: ok 17585 264: ok 17586 264: ok 17587 264: ok 17588 264: ok 17589 264: ok 17590 264: ok 17591 264: ok 17592 264: ok 17593 264: ok 17594 264: ok 17595 264: ok 17596 264: ok 17597 264: ok 17598 264: ok 17599 264: ok 17600 264: ok 17601 264: ok 17602 264: ok 17603 264: ok 17604 264: ok 17605 264: ok 17606 264: ok 17607 264: ok 17608 264: ok 17609 264: ok 17610 264: ok 17611 264: ok 17612 264: ok 17613 264: ok 17614 264: ok 17615 264: ok 17616 264: ok 17617 264: ok 17618 264: ok 17619 264: ok 17620 264: ok 17621 264: ok 17622 264: ok 17623 264: ok 17624 264: ok 17625 264: ok 17626 264: ok 17627 264: ok 17628 264: ok 17629 264: ok 17630 264: ok 17631 264: ok 17632 264: ok 17633 264: ok 17634 264: ok 17635 264: ok 17636 264: ok 17637 264: ok 17638 264: ok 17639 264: ok 17640 264: ok 17641 264: ok 17642 264: ok 17643 264: ok 17644 264: ok 17645 264: ok 17646 264: ok 17647 264: ok 17648 264: ok 17649 264: ok 17650 264: ok 17651 264: ok 17652 264: ok 17653 264: ok 17654 264: ok 17655 264: ok 17656 264: ok 17657 264: ok 17658 264: ok 17659 264: ok 17660 264: ok 17661 264: ok 17662 264: ok 17663 264: ok 17664 264: ok 17665 264: ok 17666 264: ok 17667 264: ok 17668 264: ok 17669 264: ok 17670 264: ok 17671 264: ok 17672 264: ok 17673 264: ok 17674 264: ok 17675 264: ok 17676 264: ok 17677 264: ok 17678 264: ok 17679 264: ok 17680 264: ok 17681 264: ok 17682 264: ok 17683 264: ok 17684 264: ok 17685 264: ok 17686 264: ok 17687 264: ok 17688 264: ok 17689 264: ok 17690 264: ok 17691 264: ok 17692 264: ok 17693 264: ok 17694 264: ok 17695 264: ok 17696 264: ok 17697 264: ok 17698 264: ok 17699 264: ok 17700 264: ok 17701 264: ok 17702 264: ok 17703 264: ok 17704 264: ok 17705 264: ok 17706 264: ok 17707 264: ok 17708 264: ok 17709 264: ok 17710 264: ok 17711 264: ok 17712 264: ok 17713 264: ok 17714 264: ok 17715 264: ok 17716 264: ok 17717 264: ok 17718 264: ok 17719 264: ok 17720 264: ok 17721 264: ok 17722 264: ok 17723 264: ok 17724 264: ok 17725 264: ok 17726 264: ok 17727 264: ok 17728 264: ok 17729 264: ok 17730 264: ok 17731 264: ok 17732 264: ok 17733 264: ok 17734 264: ok 17735 264: ok 17736 264: ok 17737 264: ok 17738 264: ok 17739 264: ok 17740 264: ok 17741 264: ok 17742 264: ok 17743 264: ok 17744 264: ok 17745 264: ok 17746 264: ok 17747 264: ok 17748 264: ok 17749 264: ok 17750 264: ok 17751 264: ok 17752 264: ok 17753 264: ok 17754 264: ok 17755 264: ok 17756 264: ok 17757 264: ok 17758 264: ok 17759 264: ok 17760 264: ok 17761 264: ok 17762 264: ok 17763 264: ok 17764 264: ok 17765 264: ok 17766 264: ok 17767 264: ok 17768 264: ok 17769 264: ok 17770 264: ok 17771 264: ok 17772 264: ok 17773 264: ok 17774 264: ok 17775 264: ok 17776 264: ok 17777 264: ok 17778 264: ok 17779 264: ok 17780 264: ok 17781 264: ok 17782 264: ok 17783 264: ok 17784 264: ok 17785 264: ok 17786 264: ok 17787 264: ok 17788 264: ok 17789 264: ok 17790 264: ok 17791 264: ok 17792 264: ok 17793 264: ok 17794 264: ok 17795 264: ok 17796 264: ok 17797 264: ok 17798 264: ok 17799 264: ok 17800 264: ok 17801 264: ok 17802 264: ok 17803 264: ok 17804 264: ok 17805 264: ok 17806 264: ok 17807 264: ok 17808 264: ok 17809 264: ok 17810 264: ok 17811 264: ok 17812 264: ok 17813 264: ok 17814 264: ok 17815 264: ok 17816 264: ok 17817 264: ok 17818 264: ok 17819 264: ok 17820 264: ok 17821 264: ok 17822 264: ok 17823 264: ok 17824 264: ok 17825 264: ok 17826 264: ok 17827 264: ok 17828 264: ok 17829 264: ok 17830 264: ok 17831 264: ok 17832 264: ok 17833 264: ok 17834 264: ok 17835 264: ok 17836 264: ok 17837 264: ok 17838 264: ok 17839 264: ok 17840 264: ok 17841 264: ok 17842 264: ok 17843 264: ok 17844 264: ok 17845 264: ok 17846 264: ok 17847 264: ok 17848 264: ok 17849 264: ok 17850 264: ok 17851 264: ok 17852 264: ok 17853 264: ok 17854 264: ok 17855 264: ok 17856 264: ok 17857 264: ok 17858 264: ok 17859 264: ok 17860 264: ok 17861 264: ok 17862 264: ok 17863 264: ok 17864 264: ok 17865 264: ok 17866 264: ok 17867 264: ok 17868 264: ok 17869 264: ok 17870 264: ok 17871 264: ok 17872 264: ok 17873 264: ok 17874 264: ok 17875 264: ok 17876 264: ok 17877 264: ok 17878 264: ok 17879 264: ok 17880 264: ok 17881 264: ok 17882 264: ok 17883 264: ok 17884 264: ok 17885 264: ok 17886 264: ok 17887 264: ok 17888 264: ok 17889 264: ok 17890 264: ok 17891 264: ok 17892 264: ok 17893 264: ok 17894 264: ok 17895 264: ok 17896 264: ok 17897 264: ok 17898 264: ok 17899 264: ok 17900 264: ok 17901 264: ok 17902 264: ok 17903 264: ok 17904 264: ok 17905 264: ok 17906 264: ok 17907 264: ok 17908 264: ok 17909 264: ok 17910 264: ok 17911 264: ok 17912 264: ok 17913 264: ok 17914 264: ok 17915 264: ok 17916 264: ok 17917 264: ok 17918 264: ok 17919 264: ok 17920 264: ok 17921 264: ok 17922 264: ok 17923 264: ok 17924 264: ok 17925 264: ok 17926 264: ok 17927 264: ok 17928 264: ok 17929 264: ok 17930 264: ok 17931 264: ok 17932 264: ok 17933 264: ok 17934 264: ok 17935 264: ok 17936 264: ok 17937 264: ok 17938 264: ok 17939 264: ok 17940 264: ok 17941 264: ok 17942 264: ok 17943 264: ok 17944 264: ok 17945 264: ok 17946 264: ok 17947 264: ok 17948 264: ok 17949 264: ok 17950 264: ok 17951 264: ok 17952 264: ok 17953 264: ok 17954 264: ok 17955 264: ok 17956 264: ok 17957 264: ok 17958 264: ok 17959 264: ok 17960 264: ok 17961 264: ok 17962 264: ok 17963 264: ok 17964 264: ok 17965 264: ok 17966 264: ok 17967 264: ok 17968 264: ok 17969 264: ok 17970 264: ok 17971 264: ok 17972 264: ok 17973 264: ok 17974 264: ok 17975 264: ok 17976 264: ok 17977 264: ok 17978 264: ok 17979 264: ok 17980 264: ok 17981 264: ok 17982 264: ok 17983 264: ok 17984 264: ok 17985 264: ok 17986 264: ok 17987 264: ok 17988 264: ok 17989 264: ok 17990 264: ok 17991 264: ok 17992 264: ok 17993 264: ok 17994 264: ok 17995 264: ok 17996 264: ok 17997 264: ok 17998 264: ok 17999 264: ok 18000 264: ok 18001 264: ok 18002 264: ok 18003 264: ok 18004 264: ok 18005 264: ok 18006 264: ok 18007 264: ok 18008 264: ok 18009 264: ok 18010 264: ok 18011 264: ok 18012 264: ok 18013 264: ok 18014 264: ok 18015 264: ok 18016 264: ok 18017 264: ok 18018 264: ok 18019 264: ok 18020 264: ok 18021 264: ok 18022 264: ok 18023 264: ok 18024 264: ok 18025 264: ok 18026 264: ok 18027 264: ok 18028 264: ok 18029 264: ok 18030 264: ok 18031 264: ok 18032 264: ok 18033 264: ok 18034 264: ok 18035 264: ok 18036 264: ok 18037 264: ok 18038 264: ok 18039 264: ok 18040 264: ok 18041 264: ok 18042 264: ok 18043 264: ok 18044 264: ok 18045 264: ok 18046 264: ok 18047 264: ok 18048 264: ok 18049 264: ok 18050 264: ok 18051 264: ok 18052 264: ok 18053 264: ok 18054 264: ok 18055 264: ok 18056 264: ok 18057 264: ok 18058 264: ok 18059 264: ok 18060 264: ok 18061 264: ok 18062 264: ok 18063 264: ok 18064 264: ok 18065 264: ok 18066 264: ok 18067 264: ok 18068 264: ok 18069 264: ok 18070 264: ok 18071 264: ok 18072 264: ok 18073 264: ok 18074 264: ok 18075 264: ok 18076 264: ok 18077 264: ok 18078 264: ok 18079 264: ok 18080 264: ok 18081 264: ok 18082 264: ok 18083 264: ok 18084 264: ok 18085 264: ok 18086 264: ok 18087 264: ok 18088 264: ok 18089 264: ok 18090 264: ok 18091 264: ok 18092 264: ok 18093 264: ok 18094 264: ok 18095 264: ok 18096 264: ok 18097 264: ok 18098 264: ok 18099 264: ok 18100 264: ok 18101 264: ok 18102 264: ok 18103 264: ok 18104 264: ok 18105 264: ok 18106 264: ok 18107 264: ok 18108 264: ok 18109 264: ok 18110 264: ok 18111 264: ok 18112 264: ok 18113 264: ok 18114 264: ok 18115 264: ok 18116 264: ok 18117 264: ok 18118 264: ok 18119 264: ok 18120 264: ok 18121 264: ok 18122 264: ok 18123 264: ok 18124 264: ok 18125 264: ok 18126 264: ok 18127 264: ok 18128 264: ok 18129 264: ok 18130 264: ok 18131 264: ok 18132 264: ok 18133 264: ok 18134 264: ok 18135 264: ok 18136 264: ok 18137 264: ok 18138 264: ok 18139 264: ok 18140 264: ok 18141 264: ok 18142 264: ok 18143 264: ok 18144 264: ok 18145 264: ok 18146 264: ok 18147 264: ok 18148 264: ok 18149 264: ok 18150 264: ok 18151 264: ok 18152 264: ok 18153 264: ok 18154 264: ok 18155 264: ok 18156 264: ok 18157 264: ok 18158 264: ok 18159 264: ok 18160 264: ok 18161 264: ok 18162 264: ok 18163 264: ok 18164 264: ok 18165 264: ok 18166 264: ok 18167 264: ok 18168 264: ok 18169 264: ok 18170 264: ok 18171 264: ok 18172 264: ok 18173 264: ok 18174 264: ok 18175 264: ok 18176 264: ok 18177 264: ok 18178 264: ok 18179 264: ok 18180 264: ok 18181 264: ok 18182 264: ok 18183 264: ok 18184 264: ok 18185 264: ok 18186 264: ok 18187 264: ok 18188 264: ok 18189 264: ok 18190 264: ok 18191 264: ok 18192 264: ok 18193 264: ok 18194 264: ok 18195 264: ok 18196 264: ok 18197 264: ok 18198 264: ok 18199 264: ok 18200 264: ok 18201 264: ok 18202 264: ok 18203 264: ok 18204 264: ok 18205 264: ok 18206 264: ok 18207 264: ok 18208 264: ok 18209 264: ok 18210 264: ok 18211 264: ok 18212 264: ok 18213 264: ok 18214 264: ok 18215 264: ok 18216 264: ok 18217 264: ok 18218 264: ok 18219 264: ok 18220 264: ok 18221 264: ok 18222 264: ok 18223 264: ok 18224 264: ok 18225 264: ok 18226 264: ok 18227 264: ok 18228 264: ok 18229 264: ok 18230 264: ok 18231 264: ok 18232 264: ok 18233 264: ok 18234 264: ok 18235 264: ok 18236 264: ok 18237 264: ok 18238 264: ok 18239 264: ok 18240 264: ok 18241 264: ok 18242 264: ok 18243 264: ok 18244 264: ok 18245 264: ok 18246 264: ok 18247 264: ok 18248 264: ok 18249 264: ok 18250 264: ok 18251 264: ok 18252 264: ok 18253 264: ok 18254 264: ok 18255 264: ok 18256 264: ok 18257 264: ok 18258 264: ok 18259 264: ok 18260 264: ok 18261 264: ok 18262 264: ok 18263 264: ok 18264 264: ok 18265 264: ok 18266 264: ok 18267 264: ok 18268 264: ok 18269 264: ok 18270 264: ok 18271 264: ok 18272 264: ok 18273 264: ok 18274 264: ok 18275 264: ok 18276 264: ok 18277 264: ok 18278 264: ok 18279 264: ok 18280 264: ok 18281 264: ok 18282 264: ok 18283 264: ok 18284 264: ok 18285 264: ok 18286 264: ok 18287 264: ok 18288 264: ok 18289 264: ok 18290 264: ok 18291 264: ok 18292 264: ok 18293 264: ok 18294 264: ok 18295 264: ok 18296 264: ok 18297 264: ok 18298 264: ok 18299 264: ok 18300 264: ok 18301 264: ok 18302 264: ok 18303 264: ok 18304 264: ok 18305 264: ok 18306 264: ok 18307 264: ok 18308 264: ok 18309 264: ok 18310 264: ok 18311 264: ok 18312 264: ok 18313 264: ok 18314 264: ok 18315 264: ok 18316 264: ok 18317 264: ok 18318 264: ok 18319 264: ok 18320 264: ok 18321 264: ok 18322 264: ok 18323 264: ok 18324 264: ok 18325 264: ok 18326 264: ok 18327 264: ok 18328 264: ok 18329 264: ok 18330 264: ok 18331 264: ok 18332 264: ok 18333 264: ok 18334 264: ok 18335 264: ok 18336 264: ok 18337 264: ok 18338 264: ok 18339 264: ok 18340 264: ok 18341 264: ok 18342 264: ok 18343 264: ok 18344 264: ok 18345 264: ok 18346 264: ok 18347 264: ok 18348 264: ok 18349 264: ok 18350 264: ok 18351 264: ok 18352 264: ok 18353 264: ok 18354 264: ok 18355 264: ok 18356 264: ok 18357 264: ok 18358 264: ok 18359 264: ok 18360 264: ok 18361 264: ok 18362 264: ok 18363 264: ok 18364 264: ok 18365 264: ok 18366 264: ok 18367 264: ok 18368 264: ok 18369 264: ok 18370 264: ok 18371 264: ok 18372 264: ok 18373 264: ok 18374 264: ok 18375 264: ok 18376 264: ok 18377 264: ok 18378 264: ok 18379 264: ok 18380 264: ok 18381 264: ok 18382 264: ok 18383 264: ok 18384 264: ok 18385 264: ok 18386 264: ok 18387 264: ok 18388 264: ok 18389 264: ok 18390 264: ok 18391 264: ok 18392 264: ok 18393 264: ok 18394 264: ok 18395 264: ok 18396 264: ok 18397 264: ok 18398 264: ok 18399 264: ok 18400 264: ok 18401 264: ok 18402 264: ok 18403 264: ok 18404 264: ok 18405 264: ok 18406 264: ok 18407 264: ok 18408 264: ok 18409 264: ok 18410 264: ok 18411 264: ok 18412 264: ok 18413 264: ok 18414 264: ok 18415 264: ok 18416 264: ok 18417 264: ok 18418 264: ok 18419 264: ok 18420 264: ok 18421 264: ok 18422 264: ok 18423 264: ok 18424 264: ok 18425 264: ok 18426 264: ok 18427 264: ok 18428 264: ok 18429 264: ok 18430 264: ok 18431 264: ok 18432 264: ok 18433 264: ok 18434 264: ok 18435 264: ok 18436 264: ok 18437 264: ok 18438 264: ok 18439 264: ok 18440 264: ok 18441 264: ok 18442 264: ok 18443 264: ok 18444 264: ok 18445 264: ok 18446 264: ok 18447 264: ok 18448 264: ok 18449 264: ok 18450 264: ok 18451 264: ok 18452 264: ok 18453 264: ok 18454 264: ok 18455 264: ok 18456 264: ok 18457 264: ok 18458 264: ok 18459 264: ok 18460 264: ok 18461 264: ok 18462 264: ok 18463 264: ok 18464 264: ok 18465 264: ok 18466 264: ok 18467 264: ok 18468 264: ok 18469 264: ok 18470 264: ok 18471 264: ok 18472 264: ok 18473 264: ok 18474 264: ok 18475 264: ok 18476 264: ok 18477 264: ok 18478 264: ok 18479 264: ok 18480 264: ok 18481 264: ok 18482 264: ok 18483 264: ok 18484 264: ok 18485 264: ok 18486 264: ok 18487 264: ok 18488 264: ok 18489 264: ok 18490 264: ok 18491 264: ok 18492 264: ok 18493 264: ok 18494 264: ok 18495 264: ok 18496 264: ok 18497 264: ok 18498 264: ok 18499 264: ok 18500 264: ok 18501 264: ok 18502 264: ok 18503 264: ok 18504 264: ok 18505 264: ok 18506 264: ok 18507 264: ok 18508 264: ok 18509 264: ok 18510 264: ok 18511 264: ok 18512 264: ok 18513 264: ok 18514 264: ok 18515 264: ok 18516 264: ok 18517 264: ok 18518 264: ok 18519 264: ok 18520 264: ok 18521 264: ok 18522 264: ok 18523 264: ok 18524 264: ok 18525 264: ok 18526 264: ok 18527 264: ok 18528 264: ok 18529 264: ok 18530 264: ok 18531 264: ok 18532 264: ok 18533 264: ok 18534 264: ok 18535 264: ok 18536 264: ok 18537 264: ok 18538 264: ok 18539 264: ok 18540 264: ok 18541 264: ok 18542 264: ok 18543 264: ok 18544 264: ok 18545 264: ok 18546 264: ok 18547 264: ok 18548 264: ok 18549 264: ok 18550 264: ok 18551 264: ok 18552 264: ok 18553 264: ok 18554 264: ok 18555 264: ok 18556 264: ok 18557 264: ok 18558 264: ok 18559 264: ok 18560 264: ok 18561 264: ok 18562 264: ok 18563 264: ok 18564 264: ok 18565 264: ok 18566 264: ok 18567 264: ok 18568 264: ok 18569 264: ok 18570 264: ok 18571 264: ok 18572 264: ok 18573 264: ok 18574 264: ok 18575 264: ok 18576 264: ok 18577 264: ok 18578 264: ok 18579 264: ok 18580 264: ok 18581 264: ok 18582 264: ok 18583 264: ok 18584 264: ok 18585 264: ok 18586 264: ok 18587 264: ok 18588 264: ok 18589 264: ok 18590 264: ok 18591 264: ok 18592 264: ok 18593 264: ok 18594 264: ok 18595 264: ok 18596 264: ok 18597 264: ok 18598 264: ok 18599 264: ok 18600 264: ok 18601 264: ok 18602 264: ok 18603 264: ok 18604 264: ok 18605 264: ok 18606 264: ok 18607 264: ok 18608 264: ok 18609 264: ok 18610 264: ok 18611 264: ok 18612 264: ok 18613 264: ok 18614 264: ok 18615 264: ok 18616 264: ok 18617 264: ok 18618 264: ok 18619 264: ok 18620 264: ok 18621 264: ok 18622 264: ok 18623 264: ok 18624 264: ok 18625 264: ok 18626 264: ok 18627 264: ok 18628 264: ok 18629 264: ok 18630 264: ok 18631 264: ok 18632 264: ok 18633 264: ok 18634 264: ok 18635 264: ok 18636 264: ok 18637 264: ok 18638 264: ok 18639 264: ok 18640 264: ok 18641 264: ok 18642 264: ok 18643 264: ok 18644 264: ok 18645 264: ok 18646 264: ok 18647 264: ok 18648 264: ok 18649 264: ok 18650 264: ok 18651 264: ok 18652 264: ok 18653 264: ok 18654 264: ok 18655 264: ok 18656 264: ok 18657 264: ok 18658 264: ok 18659 264: ok 18660 264: ok 18661 264: ok 18662 264: ok 18663 264: ok 18664 264: ok 18665 264: ok 18666 264: ok 18667 264: ok 18668 264: ok 18669 264: ok 18670 264: ok 18671 264: ok 18672 264: ok 18673 264: ok 18674 264: ok 18675 264: ok 18676 264: ok 18677 264: ok 18678 264: ok 18679 264: ok 18680 264: ok 18681 264: ok 18682 264: ok 18683 264: ok 18684 264: ok 18685 264: ok 18686 264: ok 18687 264: ok 18688 264: ok 18689 264: ok 18690 264: ok 18691 264: ok 18692 264: ok 18693 264: ok 18694 264: ok 18695 264: ok 18696 264: ok 18697 264: ok 18698 264: ok 18699 264: ok 18700 264: ok 18701 264: ok 18702 264: ok 18703 264: ok 18704 264: ok 18705 264: ok 18706 264: ok 18707 264: ok 18708 264: ok 18709 264: ok 18710 264: ok 18711 264: ok 18712 264: ok 18713 264: ok 18714 264: ok 18715 264: ok 18716 264: ok 18717 264: ok 18718 264: ok 18719 264: ok 18720 264: ok 18721 264: ok 18722 264: ok 18723 264: ok 18724 264: ok 18725 264: ok 18726 264: ok 18727 264: ok 18728 264: ok 18729 264: ok 18730 264: ok 18731 264: ok 18732 264: ok 18733 264: ok 18734 264: ok 18735 264: ok 18736 264: ok 18737 264: ok 18738 264: ok 18739 264: ok 18740 264: ok 18741 264: ok 18742 264: ok 18743 264: ok 18744 264: ok 18745 264: ok 18746 264: ok 18747 264: ok 18748 264: ok 18749 264: ok 18750 264: ok 18751 264: ok 18752 264: ok 18753 264: ok 18754 264: ok 18755 264: ok 18756 264: ok 18757 264: ok 18758 264: ok 18759 264: ok 18760 264: ok 18761 264: ok 18762 264: ok 18763 264: ok 18764 264: ok 18765 264: ok 18766 264: ok 18767 264: ok 18768 264: ok 18769 264: ok 18770 264: ok 18771 264: ok 18772 264: ok 18773 264: ok 18774 264: ok 18775 264: ok 18776 264: ok 18777 264: ok 18778 264: ok 18779 264: ok 18780 264: ok 18781 264: ok 18782 264: ok 18783 264: ok 18784 264: ok 18785 264: ok 18786 264: ok 18787 264: ok 18788 264: ok 18789 264: ok 18790 264: ok 18791 264: ok 18792 264: ok 18793 264: ok 18794 264: ok 18795 264: ok 18796 264: ok 18797 264: ok 18798 264: ok 18799 264: ok 18800 264: ok 18801 264: ok 18802 264: ok 18803 264: ok 18804 264: ok 18805 264: ok 18806 264: ok 18807 264: ok 18808 264: ok 18809 264: ok 18810 264: ok 18811 264: ok 18812 264: ok 18813 264: ok 18814 264: ok 18815 264: ok 18816 264: ok 18817 264: ok 18818 264: ok 18819 264: ok 18820 264: ok 18821 264: ok 18822 264: ok 18823 264: ok 18824 264: ok 18825 264: ok 18826 264: ok 18827 264: ok 18828 264: ok 18829 264: ok 18830 264: ok 18831 264: ok 18832 264: ok 18833 264: ok 18834 264: ok 18835 264: ok 18836 264: ok 18837 264: ok 18838 264: ok 18839 264: ok 18840 264: ok 18841 264: ok 18842 264: ok 18843 264: ok 18844 264: ok 18845 264: ok 18846 264: ok 18847 264: ok 18848 264: ok 18849 264: ok 18850 264: ok 18851 264: ok 18852 264: ok 18853 264: ok 18854 264: ok 18855 264: ok 18856 264: ok 18857 264: ok 18858 264: ok 18859 264: ok 18860 264: ok 18861 264: ok 18862 264: ok 18863 264: ok 18864 264: ok 18865 264: ok 18866 264: ok 18867 264: ok 18868 264: ok 18869 264: ok 18870 264: ok 18871 264: ok 18872 264: ok 18873 264: ok 18874 264: ok 18875 264: ok 18876 264: ok 18877 264: ok 18878 264: ok 18879 264: ok 18880 264: ok 18881 264: ok 18882 264: ok 18883 264: ok 18884 264: ok 18885 264: ok 18886 264: ok 18887 264: ok 18888 264: ok 18889 264: ok 18890 264: ok 18891 264: ok 18892 264: ok 18893 264: ok 18894 264: ok 18895 264: ok 18896 264: ok 18897 264: ok 18898 264: ok 18899 264: ok 18900 264: ok 18901 264: ok 18902 264: ok 18903 264: ok 18904 264: ok 18905 264: ok 18906 264: ok 18907 264: ok 18908 264: ok 18909 264: ok 18910 264: ok 18911 264: ok 18912 264: ok 18913 264: ok 18914 264: ok 18915 264: ok 18916 264: ok 18917 264: ok 18918 264: ok 18919 264: ok 18920 264: ok 18921 264: ok 18922 264: ok 18923 264: ok 18924 264: ok 18925 264: ok 18926 264: ok 18927 264: ok 18928 264: ok 18929 264: ok 18930 264: ok 18931 264: ok 18932 264: ok 18933 264: ok 18934 264: ok 18935 264: ok 18936 264: ok 18937 264: ok 18938 264: ok 18939 264: ok 18940 264: ok 18941 264: ok 18942 264: ok 18943 264: ok 18944 264: ok 18945 264: ok 18946 264: ok 18947 264: ok 18948 264: ok 18949 264: ok 18950 264: ok 18951 264: ok 18952 264: ok 18953 264: ok 18954 264: ok 18955 264: ok 18956 264: ok 18957 264: ok 18958 264: ok 18959 264: ok 18960 264: ok 18961 264: ok 18962 264: ok 18963 264: ok 18964 264: ok 18965 264: ok 18966 264: ok 18967 264: ok 18968 264: ok 18969 264: ok 18970 264: ok 18971 264: ok 18972 264: ok 18973 264: ok 18974 264: ok 18975 264: ok 18976 264: ok 18977 264: ok 18978 264: ok 18979 264: ok 18980 264: ok 18981 264: ok 18982 264: ok 18983 264: ok 18984 264: ok 18985 264: ok 18986 264: ok 18987 264: ok 18988 264: ok 18989 264: ok 18990 264: ok 18991 264: ok 18992 264: ok 18993 264: ok 18994 264: ok 18995 264: ok 18996 264: ok 18997 264: ok 18998 264: ok 18999 264: ok 19000 264: ok 19001 264: ok 19002 264: ok 19003 264: ok 19004 264: ok 19005 264: ok 19006 264: ok 19007 264: ok 19008 264: ok 19009 264: ok 19010 264: ok 19011 264: ok 19012 264: ok 19013 264: ok 19014 264: ok 19015 264: ok 19016 264: ok 19017 264: ok 19018 264: ok 19019 264: ok 19020 264: ok 19021 264: ok 19022 264: ok 19023 264: ok 19024 264: ok 19025 264: ok 19026 264: ok 19027 264: ok 19028 264: ok 19029 264: ok 19030 264: ok 19031 264: ok 19032 264: ok 19033 264: ok 19034 264: ok 19035 264: ok 19036 264: ok 19037 264: ok 19038 264: ok 19039 264: ok 19040 264: ok 19041 264: ok 19042 264: ok 19043 264: ok 19044 264: ok 19045 264: ok 19046 264: ok 19047 264: ok 19048 264: ok 19049 264: ok 19050 264: ok 19051 264: ok 19052 264: ok 19053 264: ok 19054 264: ok 19055 264: ok 19056 264: ok 19057 264: ok 19058 264: ok 19059 264: ok 19060 264: ok 19061 264: ok 19062 264: ok 19063 264: ok 19064 264: ok 19065 264: ok 19066 264: ok 19067 264: ok 19068 264: ok 19069 264: ok 19070 264: ok 19071 264: ok 19072 264: ok 19073 264: ok 19074 264: ok 19075 264: ok 19076 264: ok 19077 264: ok 19078 264: ok 19079 264: ok 19080 264: ok 19081 264: ok 19082 264: ok 19083 264: ok 19084 264: ok 19085 264: ok 19086 264: ok 19087 264: ok 19088 264: ok 19089 264: ok 19090 264: ok 19091 264: ok 19092 264: ok 19093 264: ok 19094 264: ok 19095 264: ok 19096 264: ok 19097 264: ok 19098 264: ok 19099 264: ok 19100 264: ok 19101 264: ok 19102 264: ok 19103 264: ok 19104 264: ok 19105 264: ok 19106 264: ok 19107 264: ok 19108 264: ok 19109 264: ok 19110 264: ok 19111 264: ok 19112 264: ok 19113 264: ok 19114 264: ok 19115 264: ok 19116 264: ok 19117 264: ok 19118 264: ok 19119 264: ok 19120 264: ok 19121 264: ok 19122 264: ok 19123 264: ok 19124 264: ok 19125 264: ok 19126 264: ok 19127 264: ok 19128 264: ok 19129 264: ok 19130 264: ok 19131 264: ok 19132 264: ok 19133 264: ok 19134 264: ok 19135 264: ok 19136 264: ok 19137 264: ok 19138 264: ok 19139 264: ok 19140 264: ok 19141 264: ok 19142 264: ok 19143 264: ok 19144 264: ok 19145 264: ok 19146 264: ok 19147 264: ok 19148 264: ok 19149 264: ok 19150 264: ok 19151 264: ok 19152 264: ok 19153 264: ok 19154 264: ok 19155 264: ok 19156 264: ok 19157 264: ok 19158 264: ok 19159 264: ok 19160 264: ok 19161 264: ok 19162 264: ok 19163 264: ok 19164 264: ok 19165 264: ok 19166 264: ok 19167 264: ok 19168 264: ok 19169 264: ok 19170 264: ok 19171 264: ok 19172 264: ok 19173 264: ok 19174 264: ok 19175 264: ok 19176 264: ok 19177 264: ok 19178 264: ok 19179 264: ok 19180 264: ok 19181 264: ok 19182 264: ok 19183 264: ok 19184 264: ok 19185 264: ok 19186 264: ok 19187 264: ok 19188 264: ok 19189 264: ok 19190 264: ok 19191 264: ok 19192 264: ok 19193 264: ok 19194 264: ok 19195 264: ok 19196 264: ok 19197 264: ok 19198 264: ok 19199 264: ok 19200 264: ok 19201 264: ok 19202 264: ok 19203 264: ok 19204 264: ok 19205 264: ok 19206 264: ok 19207 264: ok 19208 264: ok 19209 264: ok 19210 264: ok 19211 264: ok 19212 264: ok 19213 264: ok 19214 264: ok 19215 264: ok 19216 264: ok 19217 264: ok 19218 264: ok 19219 264: ok 19220 264: ok 19221 264: ok 19222 264: ok 19223 264: ok 19224 264: ok 19225 264: ok 19226 264: ok 19227 264: ok 19228 264: ok 19229 264: ok 19230 264: ok 19231 264: ok 19232 264: ok 19233 264: ok 19234 264: ok 19235 264: ok 19236 264: ok 19237 264: ok 19238 264: ok 19239 264: ok 19240 264: ok 19241 264: ok 19242 264: ok 19243 264: ok 19244 264: ok 19245 264: ok 19246 264: ok 19247 264: ok 19248 264: ok 19249 264: ok 19250 264: ok 19251 264: ok 19252 264: ok 19253 264: ok 19254 264: ok 19255 264: ok 19256 264: ok 19257 264: ok 19258 264: ok 19259 264: ok 19260 264: ok 19261 264: ok 19262 264: ok 19263 264: ok 19264 264: ok 19265 264: ok 19266 264: ok 19267 264: ok 19268 264: ok 19269 264: ok 19270 264: ok 19271 264: ok 19272 264: ok 19273 264: ok 19274 264: ok 19275 264: ok 19276 264: ok 19277 264: ok 19278 264: ok 19279 264: ok 19280 264: ok 19281 264: ok 19282 264: ok 19283 264: ok 19284 264: ok 19285 264: ok 19286 264: ok 19287 264: ok 19288 264: ok 19289 264: ok 19290 264: ok 19291 264: ok 19292 264: ok 19293 264: ok 19294 264: ok 19295 264: ok 19296 264: ok 19297 264: ok 19298 264: ok 19299 264: ok 19300 264: ok 19301 264: ok 19302 264: ok 19303 264: ok 19304 264: ok 19305 264: ok 19306 264: ok 19307 264: ok 19308 264: ok 19309 264: ok 19310 264: ok 19311 264: ok 19312 264: ok 19313 264: ok 19314 264: ok 19315 264: ok 19316 264: ok 19317 264: ok 19318 264: ok 19319 264: ok 19320 264: ok 19321 264: ok 19322 264: ok 19323 264: ok 19324 264: ok 19325 264: ok 19326 264: ok 19327 264: ok 19328 264: ok 19329 264: ok 19330 264: ok 19331 264: ok 19332 264: ok 19333 264: ok 19334 264: ok 19335 264: ok 19336 264: ok 19337 264: ok 19338 264: ok 19339 264: ok 19340 264: ok 19341 264: ok 19342 264: ok 19343 264: ok 19344 264: ok 19345 264: ok 19346 264: ok 19347 264: ok 19348 264: ok 19349 264: ok 19350 264: ok 19351 264: ok 19352 264: ok 19353 264: ok 19354 264: ok 19355 264: ok 19356 264: ok 19357 264: ok 19358 264: ok 19359 264: ok 19360 264: ok 19361 264: ok 19362 264: ok 19363 264: ok 19364 264: ok 19365 264: ok 19366 264: ok 19367 264: ok 19368 264: ok 19369 264: ok 19370 264: ok 19371 264: ok 19372 264: ok 19373 264: ok 19374 264: ok 19375 264: ok 19376 264: ok 19377 264: ok 19378 264: ok 19379 264: ok 19380 264: ok 19381 264: ok 19382 264: ok 19383 264: ok 19384 264: ok 19385 264: ok 19386 264: ok 19387 264: ok 19388 264: ok 19389 264: ok 19390 264: ok 19391 264: ok 19392 264: ok 19393 264: ok 19394 264: ok 19395 264: ok 19396 264: ok 19397 264: ok 19398 264: ok 19399 264: ok 19400 264: ok 19401 264: ok 19402 264: ok 19403 264: ok 19404 264: ok 19405 264: ok 19406 264: ok 19407 264: ok 19408 264: ok 19409 264: ok 19410 264: ok 19411 264: ok 19412 264: ok 19413 264: ok 19414 264: ok 19415 264: ok 19416 264: ok 19417 264: ok 19418 264: ok 19419 264: ok 19420 264: ok 19421 264: ok 19422 264: ok 19423 264: ok 19424 264: ok 19425 264: ok 19426 264: ok 19427 264: ok 19428 264: ok 19429 264: ok 19430 264: ok 19431 264: ok 19432 264: ok 19433 264: ok 19434 264: ok 19435 264: ok 19436 264: ok 19437 264: ok 19438 264: ok 19439 264: ok 19440 264: ok 19441 264: ok 19442 264: ok 19443 264: ok 19444 264: ok 19445 264: ok 19446 264: ok 19447 264: ok 19448 264: ok 19449 264: ok 19450 264: ok 19451 264: ok 19452 264: ok 19453 264: ok 19454 264: ok 19455 264: ok 19456 264: ok 19457 264: ok 19458 264: ok 19459 264: ok 19460 264: ok 19461 264: ok 19462 264: ok 19463 264: ok 19464 264: ok 19465 264: ok 19466 264: ok 19467 264: ok 19468 264: ok 19469 264: ok 19470 264: ok 19471 264: ok 19472 264: ok 19473 264: ok 19474 264: ok 19475 264: ok 19476 264: ok 19477 264: ok 19478 264: ok 19479 264: ok 19480 264: ok 19481 264: ok 19482 264: ok 19483 264: ok 19484 264: ok 19485 264: ok 19486 264: ok 19487 264: ok 19488 264: ok 19489 264: ok 19490 264: ok 19491 264: ok 19492 264: ok 19493 264: ok 19494 264: ok 19495 264: ok 19496 264: ok 19497 264: ok 19498 264: ok 19499 264: ok 19500 264: ok 19501 264: ok 19502 264: ok 19503 264: ok 19504 264: ok 19505 264: ok 19506 264: ok 19507 264: ok 19508 264: ok 19509 264: ok 19510 264: ok 19511 264: ok 19512 264: ok 19513 264: ok 19514 264: ok 19515 264: ok 19516 264: ok 19517 264: ok 19518 264: ok 19519 264: ok 19520 264: ok 19521 264: ok 19522 264: ok 19523 264: ok 19524 264: ok 19525 264: ok 19526 264: ok 19527 264: ok 19528 264: ok 19529 264: ok 19530 264: ok 19531 264: ok 19532 264: ok 19533 264: ok 19534 264: ok 19535 264: ok 19536 264: ok 19537 264: ok 19538 264: ok 19539 264: ok 19540 264: ok 19541 264: ok 19542 264: ok 19543 264: ok 19544 264: ok 19545 264: ok 19546 264: ok 19547 264: ok 19548 264: ok 19549 264: ok 19550 264: ok 19551 264: ok 19552 264: ok 19553 264: ok 19554 264: ok 19555 264: ok 19556 264: ok 19557 264: ok 19558 264: ok 19559 264: ok 19560 264: ok 19561 264: ok 19562 264: ok 19563 264: ok 19564 264: ok 19565 264: ok 19566 264: ok 19567 264: ok 19568 264: ok 19569 264: ok 19570 264: ok 19571 264: ok 19572 264: ok 19573 264: ok 19574 264: ok 19575 264: ok 19576 264: ok 19577 264: ok 19578 264: ok 19579 264: ok 19580 264: ok 19581 264: ok 19582 264: ok 19583 264: ok 19584 264: ok 19585 264: ok 19586 264: ok 19587 264: ok 19588 264: ok 19589 264: ok 19590 264: ok 19591 264: ok 19592 264: ok 19593 264: ok 19594 264: ok 19595 264: ok 19596 264: ok 19597 264: ok 19598 264: ok 19599 264: ok 19600 264: ok 19601 264: ok 19602 264: ok 19603 264: ok 19604 264: ok 19605 264: ok 19606 264: ok 19607 264: ok 19608 264: ok 19609 264: ok 19610 264: ok 19611 264: ok 19612 264: ok 19613 264: ok 19614 264: ok 19615 264: ok 19616 264: ok 19617 264: ok 19618 264: ok 19619 264: ok 19620 264: ok 19621 264: ok 19622 264: ok 19623 264: ok 19624 264: ok 19625 264: ok 19626 264: ok 19627 264: ok 19628 264: ok 19629 264: ok 19630 264: ok 19631 264: ok 19632 264: ok 19633 264: ok 19634 264: ok 19635 264: ok 19636 264: ok 19637 264: ok 19638 264: ok 19639 264: ok 19640 264: ok 19641 264: ok 19642 264: ok 19643 264: ok 19644 264: ok 19645 264: ok 19646 264: ok 19647 264: ok 19648 264: ok 19649 264: ok 19650 264: ok 19651 264: ok 19652 264: ok 19653 264: ok 19654 264: ok 19655 264: ok 19656 264: ok 19657 264: ok 19658 264: ok 19659 264: ok 19660 264: ok 19661 264: ok 19662 264: ok 19663 264: ok 19664 264: ok 19665 264: ok 19666 264: ok 19667 264: ok 19668 264: ok 19669 264: ok 19670 264: ok 19671 264: ok 19672 264: ok 19673 264: ok 19674 264: ok 19675 264: ok 19676 264: ok 19677 264: ok 19678 264: ok 19679 264: ok 19680 264: ok 19681 264: ok 19682 264: ok 19683 264: ok 19684 264: ok 19685 264: ok 19686 264: ok 19687 264: ok 19688 264: ok 19689 264: ok 19690 264: ok 19691 264: ok 19692 264: ok 19693 264: ok 19694 264: ok 19695 264: ok 19696 264: ok 19697 264: ok 19698 264: ok 19699 264: ok 19700 264: ok 19701 264: ok 19702 264: ok 19703 264: ok 19704 264: ok 19705 264: ok 19706 264: ok 19707 264: ok 19708 264: ok 19709 264: ok 19710 264: ok 19711 264: ok 19712 264: ok 19713 264: ok 19714 264: ok 19715 264: ok 19716 264: ok 19717 264: ok 19718 264: ok 19719 264: ok 19720 264: ok 19721 264: ok 19722 264: ok 19723 264: ok 19724 264: ok 19725 264: ok 19726 264: ok 19727 264: ok 19728 264: ok 19729 264: ok 19730 264: ok 19731 264: ok 19732 264: ok 19733 264: ok 19734 264: ok 19735 264: ok 19736 264: ok 19737 264: ok 19738 264: ok 19739 264: ok 19740 264: ok 19741 264: ok 19742 264: ok 19743 264: ok 19744 264: ok 19745 264: ok 19746 264: ok 19747 264: ok 19748 264: ok 19749 264: ok 19750 264: ok 19751 264: ok 19752 264: ok 19753 264: ok 19754 264: ok 19755 264: ok 19756 264: ok 19757 264: ok 19758 264: ok 19759 264: ok 19760 264: ok 19761 264: ok 19762 264: ok 19763 264: ok 19764 264: ok 19765 264: ok 19766 264: ok 19767 264: ok 19768 264: ok 19769 264: ok 19770 264: ok 19771 264: ok 19772 264: ok 19773 264: ok 19774 264: ok 19775 264: ok 19776 264: ok 19777 264: ok 19778 264: ok 19779 264: ok 19780 264: ok 19781 264: ok 19782 264: ok 19783 264: ok 19784 264: ok 19785 264: ok 19786 264: ok 19787 264: ok 19788 264: ok 19789 264: ok 19790 264: ok 19791 264: ok 19792 264: ok 19793 264: ok 19794 264: ok 19795 264: ok 19796 264: ok 19797 264: ok 19798 264: ok 19799 264: ok 19800 264: ok 19801 264: ok 19802 264: ok 19803 264: ok 19804 264: ok 19805 264: ok 19806 264: ok 19807 264: ok 19808 264: ok 19809 264: ok 19810 264: ok 19811 264: ok 19812 264: ok 19813 264: ok 19814 264: ok 19815 264: ok 19816 264: ok 19817 264: ok 19818 264: ok 19819 264: ok 19820 264: ok 19821 264: ok 19822 264: ok 19823 264: ok 19824 264: ok 19825 264: ok 19826 264: ok 19827 264: ok 19828 264: ok 19829 264: ok 19830 264: ok 19831 264: ok 19832 264: ok 19833 264: ok 19834 264: ok 19835 264: ok 19836 264: ok 19837 264: ok 19838 264: ok 19839 264: ok 19840 264: ok 19841 264: ok 19842 264: ok 19843 264: ok 19844 264: ok 19845 264: ok 19846 264: ok 19847 264: ok 19848 264: ok 19849 264: ok 19850 264: ok 19851 264: ok 19852 264: ok 19853 264: ok 19854 264: ok 19855 264: ok 19856 264: ok 19857 264: ok 19858 264: ok 19859 264: ok 19860 264: ok 19861 264: ok 19862 264: ok 19863 264: ok 19864 264: ok 19865 264: ok 19866 264: ok 19867 264: ok 19868 264: ok 19869 264: ok 19870 264: ok 19871 264: ok 19872 264: ok 19873 264: ok 19874 264: ok 19875 264: ok 19876 264: ok 19877 264: ok 19878 264: ok 19879 264: ok 19880 264: ok 19881 264: ok 19882 264: ok 19883 264: ok 19884 264: ok 19885 264: ok 19886 264: ok 19887 264: ok 19888 264: ok 19889 264: ok 19890 264: ok 19891 264: ok 19892 264: ok 19893 264: ok 19894 264: ok 19895 264: ok 19896 264: ok 19897 264: ok 19898 264: ok 19899 264: ok 19900 264: ok 19901 264: ok 19902 264: ok 19903 264: ok 19904 264: ok 19905 264: ok 19906 264: ok 19907 264: ok 19908 264: ok 19909 264: ok 19910 264: ok 19911 264: ok 19912 264: ok 19913 264: ok 19914 264: ok 19915 264: ok 19916 264: ok 19917 264: ok 19918 264: ok 19919 264: ok 19920 264: ok 19921 264: ok 19922 264: ok 19923 264: ok 19924 264: ok 19925 264: ok 19926 264: ok 19927 264: ok 19928 264: ok 19929 264: ok 19930 264: ok 19931 264: ok 19932 264: ok 19933 264: ok 19934 264: ok 19935 264: ok 19936 264: ok 19937 264: ok 19938 264: ok 19939 264: ok 19940 264: ok 19941 264: ok 19942 264: ok 19943 264: ok 19944 264: ok 19945 264: ok 19946 264: ok 19947 264: ok 19948 264: ok 19949 264: ok 19950 264: ok 19951 264: ok 19952 264: ok 19953 264: ok 19954 264: ok 19955 264: ok 19956 264: ok 19957 264: ok 19958 264: ok 19959 264: ok 19960 264: ok 19961 264: ok 19962 264: ok 19963 264: ok 19964 264: ok 19965 264: ok 19966 264: ok 19967 264: ok 19968 264: ok 19969 264: ok 19970 264: ok 19971 264: ok 19972 264: ok 19973 264: ok 19974 264: ok 19975 264: ok 19976 264: ok 19977 264: ok 19978 264: ok 19979 264: ok 19980 264: ok 19981 264: ok 19982 264: ok 19983 264: ok 19984 264: ok 19985 264: ok 19986 264: ok 19987 264: ok 19988 264: ok 19989 264: ok 19990 264: ok 19991 264: ok 19992 264: ok 19993 264: ok 19994 264: ok 19995 264: ok 19996 264: ok 19997 264: ok 19998 264: ok 19999 264: ok 20000 264: ok 20001 264: ok 20002 264: ok 20003 264: ok 20004 264: ok 20005 264: ok 20006 264: ok 20007 264: ok 20008 264: ok 20009 264: ok 20010 264: ok 20011 264: ok 20012 264: ok 20013 264: ok 20014 264: ok 20015 264: ok 20016 264: ok 20017 264: ok 20018 264: ok 20019 264: ok 20020 264: ok 20021 264: ok 20022 264: ok 20023 264: ok 20024 264: ok 20025 264: ok 20026 264: ok 20027 264: ok 20028 264: ok 20029 264: ok 20030 264: ok 20031 264: ok 20032 264: ok 20033 264: ok 20034 264: ok 20035 264: ok 20036 264: ok 20037 264: ok 20038 264: ok 20039 264: ok 20040 264: ok 20041 264: ok 20042 264: ok 20043 264: ok 20044 264: ok 20045 264: ok 20046 264: ok 20047 264: ok 20048 264: ok 20049 264: ok 20050 264: ok 20051 264: ok 20052 264: ok 20053 264: ok 20054 264: ok 20055 264: ok 20056 264: ok 20057 264: ok 20058 264: ok 20059 264: ok 20060 264: ok 20061 264: ok 20062 264: ok 20063 264: ok 20064 264: ok 20065 264: ok 20066 264: ok 20067 264: ok 20068 264: ok 20069 264: ok 20070 264: ok 20071 264: ok 20072 264: ok 20073 264: ok 20074 264: ok 20075 264: ok 20076 264: ok 20077 264: ok 20078 264: ok 20079 264: ok 20080 264: ok 20081 264: ok 20082 264: ok 20083 264: ok 20084 264: ok 20085 264: ok 20086 264: ok 20087 264: ok 20088 264: ok 20089 264: ok 20090 264: ok 20091 264: ok 20092 264: ok 20093 264: ok 20094 264: ok 20095 264: ok 20096 264: ok 20097 264: ok 20098 264: ok 20099 264: ok 20100 264: ok 20101 264: ok 20102 264: ok 20103 264: ok 20104 264: ok 20105 264: ok 20106 264: ok 20107 264: ok 20108 264: ok 20109 264: ok 20110 264: ok 20111 264: ok 20112 264: ok 20113 264: ok 20114 264: ok 20115 264: ok 20116 264: ok 20117 264: ok 20118 264: ok 20119 264: ok 20120 264: ok 20121 264: ok 20122 264: ok 20123 264: ok 20124 264: ok 20125 264: ok 20126 264: ok 20127 264: ok 20128 264: ok 20129 264: ok 20130 264: ok 20131 264: ok 20132 264: ok 20133 264: ok 20134 264: ok 20135 264: ok 20136 264: ok 20137 264: ok 20138 264: ok 20139 264: ok 20140 264: ok 20141 264: ok 20142 264: ok 20143 264: ok 20144 264: ok 20145 264: ok 20146 264: ok 20147 264: ok 20148 264: ok 20149 264: ok 20150 264: ok 20151 264: ok 20152 264: ok 20153 264: ok 20154 264: ok 20155 264: ok 20156 264: ok 20157 264: ok 20158 264: ok 20159 264: ok 20160 264: ok 20161 264: ok 20162 264: ok 20163 264: ok 20164 264: ok 20165 264: ok 20166 264: ok 20167 264: ok 20168 264: ok 20169 264: ok 20170 264: ok 20171 264: ok 20172 264: ok 20173 264: ok 20174 264: ok 20175 264: ok 20176 264: ok 20177 264: ok 20178 264: ok 20179 264: ok 20180 264: ok 20181 264: ok 20182 264: ok 20183 264: ok 20184 264: ok 20185 264: ok 20186 264: ok 20187 264: ok 20188 264: ok 20189 264: ok 20190 264: ok 20191 264: ok 20192 264: ok 20193 264: ok 20194 264: ok 20195 264: ok 20196 264: ok 20197 264: ok 20198 264: ok 20199 264: ok 20200 264: ok 20201 264: ok 20202 264: ok 20203 264: ok 20204 264: ok 20205 264: ok 20206 264: ok 20207 264: ok 20208 264: ok 20209 264: ok 20210 264: ok 20211 264: ok 20212 264: ok 20213 264: ok 20214 264: ok 20215 264: ok 20216 264: ok 20217 264: ok 20218 264: ok 20219 264: ok 20220 264: ok 20221 264: ok 20222 264: ok 20223 264: ok 20224 264: ok 20225 264: ok 20226 264: ok 20227 264: ok 20228 264: ok 20229 264: ok 20230 264: ok 20231 264: ok 20232 264: ok 20233 264: ok 20234 264: ok 20235 264: ok 20236 264: ok 20237 264: ok 20238 264: ok 20239 264: ok 20240 264: ok 20241 264: ok 20242 264: ok 20243 264: ok 20244 264: ok 20245 264: ok 20246 264: ok 20247 264: ok 20248 264: ok 20249 264: ok 20250 264: ok 20251 264: ok 20252 264: ok 20253 264: ok 20254 264: ok 20255 264: ok 20256 264: ok 20257 264: ok 20258 264: ok 20259 264: ok 20260 264: ok 20261 264: ok 20262 264: ok 20263 264: ok 20264 264: ok 20265 264: ok 20266 264: ok 20267 264: ok 20268 264: ok 20269 264: ok 20270 264: ok 20271 264: ok 20272 264: ok 20273 264: ok 20274 264: ok 20275 264: ok 20276 264: ok 20277 264: ok 20278 264: ok 20279 264: ok 20280 264: ok 20281 264: ok 20282 264: ok 20283 264: ok 20284 264: ok 20285 264: ok 20286 264: ok 20287 264: ok 20288 264: ok 20289 264: ok 20290 264: ok 20291 264: ok 20292 264: ok 20293 264: ok 20294 264: ok 20295 264: ok 20296 264: ok 20297 264: ok 20298 264: ok 20299 264: ok 20300 264: ok 20301 264: ok 20302 264: ok 20303 264: ok 20304 264: ok 20305 264: ok 20306 264: ok 20307 264: ok 20308 264: ok 20309 264: ok 20310 264: ok 20311 264: ok 20312 264: ok 20313 264: ok 20314 264: ok 20315 264: ok 20316 264: ok 20317 264: ok 20318 264: ok 20319 264: ok 20320 264: ok 20321 264: ok 20322 264: ok 20323 264: ok 20324 264: ok 20325 264: ok 20326 264: ok 20327 264: ok 20328 264: ok 20329 264: ok 20330 264: ok 20331 264: ok 20332 264: ok 20333 264: ok 20334 264: ok 20335 264: ok 20336 264: ok 20337 264: ok 20338 264: ok 20339 264: ok 20340 264: ok 20341 264: ok 20342 264: ok 20343 264: ok 20344 264: ok 20345 264: ok 20346 264: ok 20347 264: ok 20348 264: ok 20349 264: ok 20350 264: ok 20351 264: ok 20352 264: ok 20353 264: ok 20354 264: ok 20355 264: ok 20356 264: ok 20357 264: ok 20358 264: ok 20359 264: ok 20360 264: ok 20361 264: ok 20362 264: ok 20363 264: ok 20364 264: ok 20365 264: ok 20366 264: ok 20367 264: ok 20368 264: ok 20369 264: ok 20370 264: ok 20371 264: ok 20372 264: ok 20373 264: ok 20374 264: ok 20375 264: ok 20376 264: ok 20377 264: ok 20378 264: ok 20379 264: ok 20380 264: ok 20381 264: ok 20382 264: ok 20383 264: ok 20384 264: ok 20385 264: ok 20386 264: ok 20387 264: ok 20388 264: ok 20389 264: ok 20390 264: ok 20391 264: ok 20392 264: ok 20393 264: ok 20394 264: ok 20395 264: ok 20396 264: ok 20397 264: ok 20398 264: ok 20399 264: ok 20400 264: ok 20401 264: ok 20402 264: ok 20403 264: ok 20404 264: ok 20405 264: ok 20406 264: ok 20407 264: ok 20408 264: ok 20409 264: ok 20410 264: ok 20411 264: ok 20412 264: ok 20413 264: ok 20414 264: ok 20415 264: ok 20416 264: ok 20417 264: ok 20418 264: ok 20419 264: ok 20420 264: ok 20421 264: ok 20422 264: ok 20423 264: ok 20424 264: ok 20425 264: ok 20426 264: ok 20427 264: ok 20428 264: ok 20429 264: ok 20430 264: ok 20431 264: ok 20432 264: ok 20433 264: ok 20434 264: ok 20435 264: ok 20436 264: ok 20437 264: ok 20438 264: ok 20439 264: ok 20440 264: ok 20441 264: ok 20442 264: ok 20443 264: ok 20444 264: ok 20445 264: ok 20446 264: ok 20447 264: ok 20448 264: ok 20449 264: ok 20450 264: ok 20451 264: ok 20452 264: ok 20453 264: ok 20454 264: ok 20455 264: ok 20456 264: ok 20457 264: ok 20458 264: ok 20459 264: ok 20460 264: ok 20461 264: ok 20462 264: ok 20463 264: ok 20464 264: ok 20465 264: ok 20466 264: ok 20467 264: ok 20468 264: ok 20469 264: ok 20470 264: ok 20471 264: ok 20472 264: ok 20473 264: ok 20474 264: ok 20475 264: ok 20476 264: ok 20477 264: ok 20478 264: ok 20479 264: ok 20480 264: ok 20481 264: ok 20482 264: ok 20483 264: ok 20484 264: ok 20485 264: ok 20486 264: ok 20487 264: ok 20488 264: ok 20489 264: ok 20490 264: ok 20491 264: ok 20492 264: ok 20493 264: ok 20494 264: ok 20495 264: ok 20496 264: ok 20497 264: ok 20498 264: ok 20499 264: ok 20500 264: ok 20501 264: ok 20502 264: ok 20503 264: ok 20504 264: ok 20505 264: ok 20506 264: ok 20507 264: ok 20508 264: ok 20509 264: ok 20510 264: ok 20511 264: ok 20512 264: ok 20513 264: ok 20514 264: ok 20515 264: ok 20516 264: ok 20517 264: ok 20518 264: ok 20519 264: ok 20520 264: ok 20521 264: ok 20522 264: ok 20523 264: ok 20524 264: ok 20525 264: ok 20526 264: ok 20527 264: ok 20528 264: ok 20529 264: ok 20530 264: ok 20531 264: ok 20532 264: ok 20533 264: ok 20534 264: ok 20535 264: ok 20536 264: ok 20537 264: ok 20538 264: ok 20539 264: ok 20540 264: ok 20541 264: ok 20542 264: ok 20543 264: ok 20544 264: ok 20545 264: ok 20546 264: ok 20547 264: ok 20548 264: ok 20549 264: ok 20550 264: ok 20551 264: ok 20552 264: ok 20553 264: ok 20554 264: ok 20555 264: ok 20556 264: ok 20557 264: ok 20558 264: ok 20559 264: ok 20560 264: ok 20561 264: ok 20562 264: ok 20563 264: ok 20564 264: ok 20565 264: ok 20566 264: ok 20567 264: ok 20568 264: ok 20569 264: ok 20570 264: ok 20571 264: ok 20572 264: ok 20573 264: ok 20574 264: ok 20575 264: ok 20576 264: ok 20577 264: ok 20578 264: ok 20579 264: ok 20580 264: ok 20581 264: ok 20582 264: ok 20583 264: ok 20584 264: ok 20585 264: ok 20586 264: ok 20587 264: ok 20588 264: ok 20589 264: ok 20590 264: ok 20591 264: ok 20592 264: ok 20593 264: ok 20594 264: ok 20595 264: ok 20596 264: ok 20597 264: ok 20598 264: ok 20599 264: ok 20600 264: ok 20601 264: ok 20602 264: ok 20603 264: ok 20604 264: ok 20605 264: ok 20606 264: ok 20607 264: ok 20608 264: ok 20609 264: ok 20610 264: ok 20611 264: ok 20612 264: ok 20613 264: ok 20614 264: ok 20615 264: ok 20616 264: ok 20617 264: ok 20618 264: ok 20619 264: ok 20620 264: ok 20621 264: ok 20622 264: ok 20623 264: ok 20624 264: ok 20625 264: ok 20626 264: ok 20627 264: ok 20628 264: ok 20629 264: ok 20630 264: ok 20631 264: ok 20632 264: ok 20633 264: ok 20634 264: ok 20635 264: ok 20636 264: ok 20637 264: ok 20638 264: ok 20639 264: ok 20640 264: ok 20641 264: ok 20642 264: ok 20643 264: ok 20644 264: ok 20645 264: ok 20646 264: ok 20647 264: ok 20648 264: ok 20649 264: ok 20650 264: ok 20651 264: ok 20652 264: ok 20653 264: ok 20654 264: ok 20655 264: ok 20656 264: ok 20657 264: ok 20658 264: ok 20659 264: ok 20660 264: ok 20661 264: ok 20662 264: ok 20663 264: ok 20664 264: ok 20665 264: ok 20666 264: ok 20667 264: ok 20668 264: ok 20669 264: ok 20670 264: ok 20671 264: ok 20672 264: ok 20673 264: ok 20674 264: ok 20675 264: ok 20676 264: ok 20677 264: ok 20678 264: ok 20679 264: ok 20680 264: ok 20681 264: ok 20682 264: ok 20683 264: ok 20684 264: ok 20685 264: ok 20686 264: ok 20687 264: ok 20688 264: ok 20689 264: ok 20690 264: ok 20691 264: ok 20692 264: ok 20693 264: ok 20694 264: ok 20695 264: ok 20696 264: ok 20697 264: ok 20698 264: ok 20699 264: ok 20700 264: ok 20701 264: ok 20702 264: ok 20703 264: ok 20704 264: ok 20705 264: ok 20706 264: ok 20707 264: ok 20708 264: ok 20709 264: ok 20710 264: ok 20711 264: ok 20712 264: ok 20713 264: ok 20714 264: ok 20715 264: ok 20716 264: ok 20717 264: ok 20718 264: ok 20719 264: ok 20720 264: ok 20721 264: ok 20722 264: ok 20723 264: ok 20724 264: ok 20725 264: ok 20726 264: ok 20727 264: ok 20728 264: ok 20729 264: ok 20730 264: ok 20731 264: ok 20732 264: ok 20733 264: ok 20734 264: ok 20735 264: ok 20736 264: ok 20737 264: ok 20738 264: ok 20739 264: ok 20740 264: ok 20741 264: ok 20742 264: ok 20743 264: ok 20744 264: ok 20745 264: ok 20746 264: ok 20747 264: ok 20748 264: ok 20749 264: ok 20750 264: ok 20751 264: ok 20752 264: ok 20753 264: ok 20754 264: ok 20755 264: ok 20756 264: ok 20757 264: ok 20758 264: ok 20759 264: ok 20760 264: ok 20761 264: ok 20762 264: ok 20763 264: ok 20764 264: ok 20765 264: ok 20766 264: ok 20767 264: ok 20768 264: ok 20769 264: ok 20770 264: ok 20771 264: ok 20772 264: ok 20773 264: ok 20774 264: ok 20775 264: ok 20776 264: ok 20777 264: ok 20778 264: ok 20779 264: ok 20780 264: ok 20781 264: ok 20782 264: ok 20783 264: ok 20784 264: ok 20785 264: ok 20786 264: ok 20787 264: ok 20788 264: ok 20789 264: ok 20790 264: ok 20791 264: ok 20792 264: ok 20793 264: ok 20794 264: ok 20795 264: ok 20796 264: ok 20797 264: ok 20798 264: ok 20799 264: ok 20800 264: ok 20801 264: ok 20802 264: ok 20803 264: ok 20804 264: ok 20805 264: ok 20806 264: ok 20807 264: ok 20808 264: ok 20809 264: ok 20810 264: ok 20811 264: ok 20812 264: ok 20813 264: ok 20814 264: ok 20815 264: ok 20816 264: ok 20817 264: ok 20818 264: ok 20819 264: ok 20820 264: ok 20821 264: ok 20822 264: ok 20823 264: ok 20824 264: ok 20825 264: ok 20826 264: ok 20827 264: ok 20828 264: ok 20829 264: ok 20830 264: ok 20831 264: ok 20832 264: ok 20833 264: ok 20834 264: ok 20835 264: ok 20836 264: ok 20837 264: ok 20838 264: ok 20839 264: ok 20840 264: ok 20841 264: ok 20842 264: ok 20843 264: ok 20844 264: ok 20845 264: ok 20846 264: ok 20847 264: ok 20848 264: ok 20849 264: ok 20850 264: ok 20851 264: ok 20852 264: ok 20853 264: ok 20854 264: ok 20855 264: ok 20856 264: ok 20857 264: ok 20858 264: ok 20859 264: ok 20860 264: ok 20861 264: ok 20862 264: ok 20863 264: ok 20864 264: ok 20865 264: ok 20866 264: ok 20867 264: ok 20868 264: ok 20869 264: ok 20870 264: ok 20871 264: ok 20872 264: ok 20873 264: ok 20874 264: ok 20875 264: ok 20876 264: ok 20877 264: ok 20878 264: ok 20879 264: ok 20880 264: ok 20881 264: ok 20882 264: ok 20883 264: ok 20884 264: ok 20885 264: ok 20886 264: ok 20887 264: ok 20888 264: ok 20889 264: ok 20890 264: ok 20891 264: ok 20892 264: ok 20893 264: ok 20894 264: ok 20895 264: ok 20896 264: ok 20897 264: ok 20898 264: ok 20899 264: ok 20900 264: ok 20901 264: ok 20902 264: ok 20903 264: ok 20904 264: ok 20905 264: ok 20906 264: ok 20907 264: ok 20908 264: ok 20909 264: ok 20910 264: ok 20911 264: ok 20912 264: ok 20913 264: ok 20914 264: ok 20915 264: ok 20916 264: ok 20917 264: ok 20918 264: ok 20919 264: ok 20920 264: ok 20921 264: ok 20922 264: ok 20923 264: ok 20924 264: ok 20925 264: ok 20926 264: ok 20927 264: ok 20928 264: ok 20929 264: ok 20930 264: ok 20931 264: ok 20932 264: ok 20933 264: ok 20934 264: ok 20935 264: ok 20936 264: ok 20937 264: ok 20938 264: ok 20939 264: ok 20940 264: ok 20941 264: ok 20942 264: ok 20943 264: ok 20944 264: ok 20945 264: ok 20946 264: ok 20947 264: ok 20948 264: ok 20949 264: ok 20950 264: ok 20951 264: ok 20952 264: ok 20953 264: ok 20954 264: ok 20955 264: ok 20956 264: ok 20957 264: ok 20958 264: ok 20959 264: ok 20960 264: ok 20961 264: ok 20962 264: ok 20963 264: ok 20964 264: ok 20965 264: ok 20966 264: ok 20967 264: ok 20968 264: ok 20969 264: ok 20970 264: ok 20971 264: ok 20972 264: ok 20973 264: ok 20974 264: ok 20975 264: ok 20976 264: ok 20977 264: ok 20978 264: ok 20979 264: ok 20980 264: ok 20981 264: ok 20982 264: ok 20983 264: ok 20984 264: ok 20985 264: ok 20986 264: ok 20987 264: ok 20988 264: ok 20989 264: ok 20990 264: ok 20991 264: ok 20992 264: ok 20993 264: ok 20994 264: ok 20995 264: ok 20996 264: ok 20997 264: ok 20998 264: ok 20999 264: ok 21000 264: ok 21001 264: ok 21002 264: ok 21003 264: ok 21004 264: ok 21005 264: ok 21006 264: ok 21007 264: ok 21008 264: ok 21009 264: ok 21010 264: ok 21011 264: ok 21012 264: ok 21013 264: ok 21014 264: ok 21015 264: ok 21016 264: ok 21017 264: ok 21018 264: ok 21019 264: ok 21020 264: ok 21021 264: ok 21022 264: ok 21023 264: ok 21024 264: ok 21025 264: ok 21026 264: ok 21027 264: ok 21028 264: ok 21029 264: ok 21030 264: ok 21031 264: ok 21032 264: ok 21033 264: ok 21034 264: ok 21035 264: ok 21036 264: ok 21037 264: ok 21038 264: ok 21039 264: ok 21040 264: ok 21041 264: ok 21042 264: ok 21043 264: ok 21044 264: ok 21045 264: ok 21046 264: ok 21047 264: ok 21048 264: ok 21049 264: ok 21050 264: ok 21051 264: ok 21052 264: ok 21053 264: ok 21054 264: ok 21055 264: ok 21056 264: ok 21057 264: ok 21058 264: ok 21059 264: ok 21060 264: ok 21061 264: ok 21062 264: ok 21063 264: ok 21064 264: ok 21065 264: ok 21066 264: ok 21067 264: ok 21068 264: ok 21069 264: ok 21070 264: ok 21071 264: ok 21072 264: ok 21073 264: ok 21074 264: ok 21075 264: ok 21076 264: ok 21077 264: ok 21078 264: ok 21079 264: ok 21080 264: ok 21081 264: ok 21082 264: ok 21083 264: ok 21084 264: ok 21085 264: ok 21086 264: ok 21087 264: ok 21088 264: ok 21089 264: ok 21090 264: ok 21091 264: ok 21092 264: ok 21093 264: ok 21094 264: ok 21095 264: ok 21096 264: ok 21097 264: ok 21098 264: ok 21099 264: ok 21100 264: ok 21101 264: ok 21102 264: ok 21103 264: ok 21104 264: ok 21105 264: ok 21106 264: ok 21107 264: ok 21108 264: ok 21109 264: ok 21110 264: ok 21111 264: ok 21112 264: ok 21113 264: ok 21114 264: ok 21115 264: ok 21116 264: ok 21117 264: ok 21118 264: ok 21119 264: ok 21120 264: ok 21121 264: ok 21122 264: ok 21123 264: ok 21124 264: ok 21125 264: ok 21126 264: ok 21127 264: ok 21128 264: ok 21129 264: ok 21130 264: ok 21131 264: ok 21132 264: ok 21133 264: ok 21134 264: ok 21135 264: ok 21136 264: ok 21137 264: ok 21138 264: ok 21139 264: ok 21140 264: ok 21141 264: ok 21142 264: ok 21143 264: ok 21144 264: ok 21145 264: ok 21146 264: ok 21147 264: ok 21148 264: ok 21149 264: ok 21150 264: ok 21151 264: ok 21152 264: ok 21153 264: ok 21154 264: ok 21155 264: ok 21156 264: ok 21157 264: ok 21158 264: ok 21159 264: ok 21160 264: ok 21161 264: ok 21162 264: ok 21163 264: ok 21164 264: ok 21165 264: ok 21166 264: ok 21167 264: ok 21168 264: ok 21169 264: ok 21170 264: ok 21171 264: ok 21172 264: ok 21173 264: ok 21174 264: ok 21175 264: ok 21176 264: ok 21177 264: ok 21178 264: ok 21179 264: ok 21180 264: ok 21181 264: ok 21182 264: ok 21183 264: ok 21184 264: ok 21185 264: ok 21186 264: ok 21187 264: ok 21188 264: ok 21189 264: ok 21190 264: ok 21191 264: ok 21192 264: ok 21193 264: ok 21194 264: ok 21195 264: ok 21196 264: ok 21197 264: ok 21198 264: ok 21199 264: ok 21200 264: ok 21201 264: ok 21202 264: ok 21203 264: ok 21204 264: ok 21205 264: ok 21206 264: ok 21207 264: ok 21208 264: ok 21209 264: ok 21210 264: ok 21211 264: ok 21212 264: ok 21213 264: ok 21214 264: ok 21215 264: ok 21216 264: ok 21217 264: ok 21218 264: ok 21219 264: ok 21220 264: ok 21221 264: ok 21222 264: ok 21223 264: ok 21224 264: ok 21225 264: ok 21226 264: ok 21227 264: ok 21228 264: ok 21229 264: ok 21230 264: ok 21231 264: ok 21232 264: ok 21233 264: ok 21234 264: ok 21235 264: ok 21236 264: ok 21237 264: ok 21238 264: ok 21239 264: ok 21240 264: ok 21241 264: ok 21242 264: ok 21243 264: ok 21244 264: ok 21245 264: ok 21246 264: ok 21247 264: ok 21248 264: ok 21249 264: ok 21250 264: ok 21251 264: ok 21252 264: ok 21253 264: ok 21254 264: ok 21255 264: ok 21256 264: ok 21257 264: ok 21258 264: ok 21259 264: ok 21260 264: ok 21261 264: ok 21262 264: ok 21263 264: ok 21264 264: ok 21265 264: ok 21266 264: ok 21267 264: ok 21268 264: ok 21269 264: ok 21270 264: ok 21271 264: ok 21272 264: ok 21273 264: ok 21274 264: ok 21275 264: ok 21276 264: ok 21277 264: ok 21278 264: ok 21279 264: ok 21280 264: ok 21281 264: ok 21282 264: ok 21283 264: ok 21284 264: ok 21285 264: ok 21286 264: ok 21287 264: ok 21288 264: ok 21289 264: ok 21290 264: ok 21291 264: ok 21292 264: ok 21293 264: ok 21294 264: ok 21295 264: ok 21296 264: ok 21297 264: ok 21298 264: ok 21299 264: ok 21300 264: ok 21301 264: ok 21302 264: ok 21303 264: ok 21304 264: ok 21305 264: ok 21306 264: ok 21307 264: ok 21308 264: ok 21309 264: ok 21310 264: ok 21311 264: ok 21312 264: ok 21313 264: ok 21314 264: ok 21315 264: ok 21316 264: ok 21317 264: ok 21318 264: ok 21319 264: ok 21320 264: ok 21321 264: ok 21322 264: ok 21323 264: ok 21324 264: ok 21325 264: ok 21326 264: ok 21327 264: ok 21328 264: ok 21329 264: ok 21330 264: ok 21331 264: ok 21332 264: ok 21333 264: ok 21334 264: ok 21335 264: ok 21336 264: ok 21337 264: ok 21338 264: ok 21339 264: ok 21340 264: ok 21341 264: ok 21342 264: ok 21343 264: ok 21344 264: ok 21345 264: ok 21346 264: ok 21347 264: ok 21348 264: ok 21349 264: ok 21350 264: ok 21351 264: ok 21352 264: ok 21353 264: ok 21354 264: ok 21355 264: ok 21356 264: ok 21357 264: ok 21358 264: ok 21359 264: ok 21360 264: ok 21361 264: ok 21362 264: ok 21363 264: ok 21364 264: ok 21365 264: ok 21366 264: ok 21367 264: ok 21368 264: ok 21369 264: ok 21370 264: ok 21371 264: ok 21372 264: ok 21373 264: ok 21374 264: ok 21375 264: ok 21376 264: ok 21377 264: ok 21378 264: ok 21379 264: ok 21380 264: ok 21381 264: ok 21382 264: ok 21383 264: ok 21384 264: ok 21385 264: ok 21386 264: ok 21387 264: ok 21388 264: ok 21389 264: ok 21390 264: ok 21391 264: ok 21392 264: ok 21393 264: ok 21394 264: ok 21395 264: ok 21396 264: ok 21397 264: ok 21398 264: ok 21399 264: ok 21400 264: ok 21401 264: ok 21402 264: ok 21403 264: ok 21404 264: ok 21405 264: ok 21406 264: ok 21407 264: ok 21408 264: ok 21409 264: ok 21410 264: ok 21411 264: ok 21412 264: ok 21413 264: ok 21414 264: ok 21415 264: ok 21416 264: ok 21417 264: ok 21418 264: ok 21419 264: ok 21420 264: ok 21421 264: ok 21422 264: ok 21423 264: ok 21424 264: ok 21425 264: ok 21426 264: ok 21427 264: ok 21428 264: ok 21429 264: ok 21430 264: ok 21431 264: ok 21432 264: ok 21433 264: ok 21434 264: ok 21435 264: ok 21436 264: ok 21437 264: ok 21438 264: ok 21439 264: ok 21440 264: ok 21441 264: ok 21442 264: ok 21443 264: ok 21444 264: ok 21445 264: ok 21446 264: ok 21447 264: ok 21448 264: ok 21449 264: ok 21450 264: ok 21451 264: ok 21452 264: ok 21453 264: ok 21454 264: ok 21455 264: ok 21456 264: ok 21457 264: ok 21458 264: ok 21459 264: ok 21460 264: ok 21461 264: ok 21462 264: ok 21463 264: ok 21464 264: ok 21465 264: ok 21466 264: ok 21467 264: ok 21468 264: ok 21469 264: ok 21470 264: ok 21471 264: ok 21472 264: ok 21473 264: ok 21474 264: ok 21475 264: ok 21476 264: ok 21477 264: ok 21478 264: ok 21479 264: ok 21480 264: ok 21481 264: ok 21482 264: ok 21483 264: ok 21484 264: ok 21485 264: ok 21486 264: ok 21487 264: ok 21488 264: ok 21489 264: ok 21490 264: ok 21491 264: ok 21492 264: ok 21493 264: ok 21494 264: ok 21495 264: ok 21496 264: ok 21497 264: ok 21498 264: ok 21499 264: ok 21500 264: ok 21501 264: ok 21502 264: ok 21503 264: ok 21504 264: ok 21505 264: ok 21506 264: ok 21507 264: ok 21508 264: ok 21509 264: ok 21510 264: ok 21511 264: ok 21512 264: ok 21513 264: ok 21514 264: ok 21515 264: ok 21516 264: ok 21517 264: ok 21518 264: ok 21519 264: ok 21520 264: ok 21521 264: ok 21522 264: ok 21523 264: ok 21524 264: ok 21525 264: ok 21526 264: ok 21527 264: ok 21528 264: ok 21529 264: ok 21530 264: ok 21531 264: ok 21532 264: ok 21533 264: ok 21534 264: ok 21535 264: ok 21536 264: ok 21537 264: ok 21538 264: ok 21539 264: ok 21540 264: ok 21541 264: ok 21542 264: ok 21543 264: ok 21544 264: ok 21545 264: ok 21546 264: ok 21547 264: ok 21548 264: ok 21549 264: ok 21550 264: ok 21551 264: ok 21552 264: ok 21553 264: ok 21554 264: ok 21555 264: ok 21556 264: ok 21557 264: ok 21558 264: ok 21559 264: ok 21560 264: ok 21561 264: ok 21562 264: ok 21563 264: ok 21564 264: ok 21565 264: ok 21566 264: ok 21567 264: ok 21568 264: ok 21569 264: ok 21570 264: ok 21571 264: ok 21572 264: ok 21573 264: ok 21574 264: ok 21575 264: ok 21576 264: ok 21577 264: ok 21578 264: ok 21579 264: ok 21580 264: ok 21581 264: ok 21582 264: ok 21583 264: ok 21584 264: ok 21585 264: ok 21586 264: ok 21587 264: ok 21588 264: ok 21589 264: ok 21590 264: ok 21591 264: ok 21592 264: ok 21593 264: ok 21594 264: ok 21595 264: ok 21596 264: ok 21597 264: ok 21598 264: ok 21599 264: ok 21600 264: ok 21601 264: ok 21602 264: ok 21603 264: ok 21604 264: ok 21605 264: ok 21606 264: ok 21607 264: ok 21608 264: ok 21609 264: ok 21610 264: ok 21611 264: ok 21612 264: ok 21613 264: ok 21614 264: ok 21615 264: ok 21616 264: ok 21617 264: ok 21618 264: ok 21619 264: ok 21620 264: ok 21621 264: ok 21622 264: ok 21623 264: ok 21624 264: ok 21625 264: ok 21626 264: ok 21627 264: ok 21628 264: ok 21629 264: ok 21630 264: ok 21631 264: ok 21632 264: ok 21633 264: ok 21634 264: ok 21635 264: ok 21636 264: ok 21637 264: ok 21638 264: ok 21639 264: ok 21640 264: ok 21641 264: ok 21642 264: ok 21643 264: ok 21644 264: ok 21645 264: ok 21646 264: ok 21647 264: ok 21648 264: ok 21649 264: ok 21650 264: ok 21651 264: ok 21652 264: ok 21653 264: ok 21654 264: ok 21655 264: ok 21656 264: ok 21657 264: ok 21658 264: ok 21659 264: ok 21660 264: ok 21661 264: ok 21662 264: ok 21663 264: ok 21664 264: ok 21665 264: ok 21666 264: ok 21667 264: ok 21668 264: ok 21669 264: ok 21670 264: ok 21671 264: ok 21672 264: ok 21673 264: ok 21674 264: ok 21675 264: ok 21676 264: ok 21677 264: ok 21678 264: ok 21679 264: ok 21680 264: ok 21681 264: ok 21682 264: ok 21683 264: ok 21684 264: ok 21685 264: ok 21686 264: ok 21687 264: ok 21688 264: ok 21689 264: ok 21690 264: ok 21691 264: ok 21692 264: ok 21693 264: ok 21694 264: ok 21695 264: ok 21696 264: ok 21697 264: ok 21698 264: ok 21699 264: ok 21700 264: ok 21701 264: ok 21702 264: ok 21703 264: ok 21704 264: ok 21705 264: ok 21706 264: ok 21707 264: ok 21708 264: ok 21709 264: ok 21710 264: ok 21711 264: ok 21712 264: ok 21713 264: ok 21714 264: ok 21715 264: ok 21716 264: ok 21717 264: ok 21718 264: ok 21719 264: ok 21720 264: ok 21721 264: ok 21722 264: ok 21723 264: ok 21724 264: ok 21725 264: ok 21726 264: ok 21727 264: ok 21728 264: ok 21729 264: ok 21730 264: ok 21731 264: ok 21732 264: ok 21733 264: ok 21734 264: ok 21735 264: ok 21736 264: ok 21737 264: ok 21738 264: ok 21739 264: ok 21740 264: ok 21741 264: ok 21742 264: ok 21743 264: ok 21744 264: ok 21745 264: ok 21746 264: ok 21747 264: ok 21748 264: ok 21749 264: ok 21750 264: ok 21751 264: ok 21752 264: ok 21753 264: ok 21754 264: ok 21755 264: ok 21756 264: ok 21757 264: ok 21758 264: ok 21759 264: ok 21760 264: ok 21761 264: ok 21762 264: ok 21763 264: ok 21764 264: ok 21765 264: ok 21766 264: ok 21767 264: ok 21768 264: ok 21769 264: ok 21770 264: ok 21771 264: ok 21772 264: ok 21773 264: ok 21774 264: ok 21775 264: ok 21776 264: ok 21777 264: ok 21778 264: ok 21779 264: ok 21780 264: ok 21781 264: ok 21782 264: ok 21783 264: ok 21784 264: ok 21785 264: ok 21786 264: ok 21787 264: ok 21788 264: ok 21789 264: ok 21790 264: ok 21791 264: ok 21792 264: ok 21793 264: ok 21794 264: ok 21795 264: ok 21796 264: ok 21797 264: ok 21798 264: ok 21799 264: ok 21800 264: ok 21801 264: ok 21802 264: ok 21803 264: ok 21804 264: ok 21805 264: ok 21806 264: ok 21807 264: ok 21808 264: ok 21809 264: ok 21810 264: ok 21811 264: ok 21812 264: ok 21813 264: ok 21814 264: ok 21815 264: ok 21816 264: ok 21817 264: ok 21818 264: ok 21819 264: ok 21820 264: ok 21821 264: ok 21822 264: ok 21823 264: ok 21824 264: ok 21825 264: ok 21826 264: ok 21827 264: ok 21828 264: ok 21829 264: ok 21830 264: ok 21831 264: ok 21832 264: ok 21833 264: ok 21834 264: ok 21835 264: ok 21836 264: ok 21837 264: ok 21838 264: ok 21839 264: ok 21840 264: ok 21841 264: ok 21842 264: ok 21843 264: ok 21844 264: ok 21845 264: ok 21846 264: ok 21847 264: ok 21848 264: ok 21849 264: ok 21850 264: ok 21851 264: ok 21852 264: ok 21853 264: ok 21854 264: ok 21855 264: ok 21856 264: ok 21857 264: ok 21858 264: ok 21859 264: ok 21860 264: ok 21861 264: ok 21862 264: ok 21863 264: ok 21864 264: ok 21865 264: ok 21866 264: ok 21867 264: ok 21868 264: ok 21869 264: ok 21870 264: ok 21871 264: ok 21872 264: ok 21873 264: ok 21874 264: ok 21875 264: ok 21876 264: ok 21877 264: ok 21878 264: ok 21879 264: ok 21880 264: ok 21881 264: ok 21882 264: ok 21883 264: ok 21884 264: ok 21885 264: ok 21886 264: ok 21887 264: ok 21888 264: ok 21889 264: ok 21890 264: ok 21891 264: ok 21892 264: ok 21893 264: ok 21894 264: ok 21895 264: ok 21896 264: ok 21897 264: ok 21898 264: ok 21899 264: ok 21900 264: ok 21901 264: ok 21902 264: ok 21903 264: ok 21904 264: ok 21905 264: ok 21906 264: ok 21907 264: ok 21908 264: ok 21909 264: ok 21910 264: ok 21911 264: ok 21912 264: ok 21913 264: ok 21914 264: ok 21915 264: ok 21916 264: ok 21917 264: ok 21918 264: ok 21919 264: ok 21920 264: ok 21921 264: ok 21922 264: ok 21923 264: ok 21924 264: ok 21925 264: ok 21926 264: ok 21927 264: ok 21928 264: ok 21929 264: ok 21930 264: ok 21931 264: ok 21932 264: ok 21933 264: ok 21934 264: ok 21935 264: ok 21936 264: ok 21937 264: ok 21938 264: ok 21939 264: ok 21940 264: ok 21941 264: ok 21942 264: ok 21943 264: ok 21944 264: ok 21945 264: ok 21946 264: ok 21947 264: ok 21948 264: ok 21949 264: ok 21950 264: ok 21951 264: ok 21952 264: ok 21953 264: ok 21954 264: ok 21955 264: ok 21956 264: ok 21957 264: ok 21958 264: ok 21959 264: ok 21960 264: ok 21961 264: ok 21962 264: ok 21963 264: ok 21964 264: ok 21965 264: ok 21966 264: ok 21967 264: ok 21968 264: ok 21969 264: ok 21970 264: ok 21971 264: ok 21972 264: ok 21973 264: ok 21974 264: ok 21975 264: ok 21976 264: ok 21977 264: ok 21978 264: ok 21979 264: ok 21980 264: ok 21981 264: ok 21982 264: ok 21983 264: ok 21984 264: ok 21985 264: ok 21986 264: ok 21987 264: ok 21988 264: ok 21989 264: ok 21990 264: ok 21991 264: ok 21992 264: ok 21993 264: ok 21994 264: ok 21995 264: ok 21996 264: ok 21997 264: ok 21998 264: ok 21999 264: ok 22000 264: ok 22001 264: ok 22002 264: ok 22003 264: ok 22004 264: ok 22005 264: ok 22006 264: ok 22007 264: ok 22008 264: ok 22009 264: ok 22010 264: ok 22011 264: ok 22012 264: ok 22013 264: ok 22014 264: ok 22015 264: ok 22016 264: ok 22017 264: ok 22018 264: ok 22019 264: ok 22020 264: ok 22021 264: ok 22022 264: ok 22023 264: ok 22024 264: ok 22025 264: ok 22026 264: ok 22027 264: ok 22028 264: ok 22029 264: ok 22030 264: ok 22031 264: ok 22032 264: ok 22033 264: ok 22034 264: ok 22035 264: ok 22036 264: ok 22037 264: ok 22038 264: ok 22039 264: ok 22040 264: ok 22041 264: ok 22042 264: ok 22043 264: ok 22044 264: ok 22045 264: ok 22046 264: ok 22047 264: ok 22048 264: ok 22049 264: ok 22050 264: ok 22051 264: ok 22052 264: ok 22053 264: ok 22054 264: ok 22055 264: ok 22056 264: ok 22057 264: ok 22058 264: ok 22059 264: ok 22060 264: ok 22061 264: ok 22062 264: ok 22063 264: ok 22064 264: ok 22065 264: ok 22066 264: ok 22067 264: ok 22068 264: ok 22069 264: ok 22070 264: ok 22071 264: ok 22072 264: ok 22073 264: ok 22074 264: ok 22075 264: ok 22076 264: ok 22077 264: ok 22078 264: ok 22079 264: ok 22080 264: ok 22081 264: ok 22082 264: ok 22083 264: ok 22084 264: ok 22085 264: ok 22086 264: ok 22087 264: ok 22088 264: ok 22089 264: ok 22090 264: ok 22091 264: ok 22092 264: ok 22093 264: ok 22094 264: ok 22095 264: ok 22096 264: ok 22097 264: ok 22098 264: ok 22099 264: ok 22100 264: ok 22101 264: ok 22102 264: ok 22103 264: ok 22104 264: ok 22105 264: ok 22106 264: ok 22107 264: ok 22108 264: ok 22109 264: ok 22110 264: ok 22111 264: ok 22112 264: ok 22113 264: ok 22114 264: ok 22115 264: ok 22116 264: ok 22117 264: ok 22118 264: ok 22119 264: ok 22120 264: ok 22121 264: ok 22122 264: ok 22123 264: ok 22124 264: ok 22125 264: ok 22126 264: ok 22127 264: ok 22128 264: ok 22129 264: ok 22130 264: ok 22131 264: ok 22132 264: ok 22133 264: ok 22134 264: ok 22135 264: ok 22136 264: ok 22137 264: ok 22138 264: ok 22139 264: ok 22140 264: ok 22141 264: ok 22142 264: ok 22143 264: ok 22144 264: ok 22145 264: ok 22146 264: ok 22147 264: ok 22148 264: ok 22149 264: ok 22150 264: ok 22151 264: ok 22152 264: ok 22153 264: ok 22154 264: ok 22155 264: ok 22156 264: ok 22157 264: ok 22158 264: ok 22159 264: ok 22160 264: ok 22161 264: ok 22162 264: ok 22163 264: ok 22164 264: ok 22165 264: ok 22166 264: ok 22167 264: ok 22168 264: ok 22169 264: ok 22170 264: ok 22171 264: ok 22172 264: ok 22173 264: ok 22174 264: ok 22175 264: ok 22176 264: ok 22177 264: ok 22178 264: ok 22179 264: ok 22180 264: ok 22181 264: ok 22182 264: ok 22183 264: ok 22184 264: ok 22185 264: ok 22186 264: ok 22187 264: ok 22188 264: ok 22189 264: ok 22190 264: ok 22191 264: ok 22192 264: ok 22193 264: ok 22194 264: ok 22195 264: ok 22196 264: ok 22197 264: ok 22198 264: ok 22199 264: ok 22200 264: ok 22201 264: ok 22202 264: ok 22203 264: ok 22204 264: ok 22205 264: ok 22206 264: ok 22207 264: ok 22208 264: ok 22209 264: ok 22210 264: ok 22211 264: ok 22212 264: ok 22213 264: ok 22214 264: ok 22215 264: ok 22216 264: ok 22217 264: ok 22218 264: ok 22219 264: ok 22220 264: ok 22221 264: ok 22222 264: ok 22223 264: ok 22224 264: ok 22225 264: ok 22226 264: ok 22227 264: ok 22228 264: ok 22229 264: ok 22230 264: ok 22231 264: ok 22232 264: ok 22233 264: ok 22234 264: ok 22235 264: ok 22236 264: ok 22237 264: ok 22238 264: ok 22239 264: ok 22240 264: ok 22241 264: ok 22242 264: ok 22243 264: ok 22244 264: ok 22245 264: ok 22246 264: ok 22247 264: ok 22248 264: ok 22249 264: ok 22250 264: ok 22251 264: ok 22252 264: ok 22253 264: ok 22254 264: ok 22255 264: ok 22256 264: ok 22257 264: ok 22258 264: ok 22259 264: ok 22260 264: ok 22261 264: ok 22262 264: ok 22263 264: ok 22264 264: ok 22265 264: ok 22266 264: ok 22267 264: ok 22268 264: ok 22269 264: ok 22270 264: ok 22271 264: ok 22272 264: ok 22273 264: ok 22274 264: ok 22275 264: ok 22276 264: ok 22277 264: ok 22278 264: ok 22279 264: ok 22280 264: ok 22281 264: ok 22282 264: ok 22283 264: ok 22284 264: ok 22285 264: ok 22286 264: ok 22287 264: ok 22288 264: ok 22289 264: ok 22290 264: ok 22291 264: ok 22292 264: ok 22293 264: ok 22294 264: ok 22295 264: ok 22296 264: ok 22297 264: ok 22298 264: ok 22299 264: ok 22300 264: ok 22301 264: ok 22302 264: ok 22303 264: ok 22304 264: ok 22305 264: ok 22306 264: ok 22307 264: ok 22308 264: ok 22309 264: ok 22310 264: ok 22311 264: ok 22312 264: ok 22313 264: ok 22314 264: ok 22315 264: ok 22316 264: ok 22317 264: ok 22318 264: ok 22319 264: ok 22320 264: ok 22321 264: ok 22322 264: ok 22323 264: ok 22324 264: ok 22325 264: ok 22326 264: ok 22327 264: ok 22328 264: ok 22329 264: ok 22330 264: ok 22331 264: ok 22332 264: ok 22333 264: ok 22334 264: ok 22335 264: ok 22336 264: ok 22337 264: ok 22338 264: ok 22339 264: ok 22340 264: ok 22341 264: ok 22342 264: ok 22343 264: ok 22344 264: ok 22345 264: ok 22346 264: ok 22347 264: ok 22348 264: ok 22349 264: ok 22350 264: ok 22351 264: ok 22352 264: ok 22353 264: ok 22354 264: ok 22355 264: ok 22356 264: ok 22357 264: ok 22358 264: ok 22359 264: ok 22360 264: ok 22361 264: ok 22362 264: ok 22363 264: ok 22364 264: ok 22365 264: ok 22366 264: ok 22367 264: ok 22368 264: ok 22369 264: ok 22370 264: ok 22371 264: ok 22372 264: ok 22373 264: ok 22374 264: ok 22375 264: ok 22376 264: ok 22377 264: ok 22378 264: ok 22379 264: ok 22380 264: ok 22381 264: ok 22382 264: ok 22383 264: ok 22384 264: ok 22385 264: ok 22386 264: ok 22387 264: ok 22388 264: ok 22389 264: ok 22390 264: ok 22391 264: ok 22392 264: ok 22393 264: ok 22394 264: ok 22395 264: ok 22396 264: ok 22397 264: ok 22398 264: ok 22399 264: ok 22400 264: ok 22401 264: ok 22402 264: ok 22403 264: ok 22404 264: ok 22405 264: ok 22406 264: ok 22407 264: ok 22408 264: ok 22409 264: ok 22410 264: ok 22411 264: ok 22412 264: ok 22413 264: ok 22414 264: ok 22415 264: ok 22416 264: ok 22417 264: ok 22418 264: ok 22419 264: ok 22420 264: ok 22421 264: ok 22422 264: ok 22423 264: ok 22424 264: ok 22425 264: ok 22426 264: ok 22427 264: ok 22428 264: ok 22429 264: ok 22430 264: ok 22431 264: ok 22432 264: ok 22433 264: ok 22434 264: ok 22435 264: ok 22436 264: ok 22437 264: ok 22438 264: ok 22439 264: ok 22440 264: ok 22441 264: ok 22442 264: ok 22443 264: ok 22444 264: ok 22445 264: ok 22446 264: ok 22447 264: ok 22448 264: ok 22449 264: ok 22450 264: ok 22451 264: ok 22452 264: ok 22453 264: ok 22454 264: ok 22455 264: ok 22456 264: ok 22457 264: ok 22458 264: ok 22459 264: ok 22460 264: ok 22461 264: ok 22462 264: ok 22463 264: ok 22464 264: ok 22465 264: ok 22466 264: ok 22467 264: ok 22468 264: ok 22469 264: ok 22470 264: ok 22471 264: ok 22472 264: ok 22473 264: ok 22474 264: ok 22475 264: ok 22476 264: ok 22477 264: ok 22478 264: ok 22479 264: ok 22480 264: ok 22481 264: ok 22482 264: ok 22483 264: ok 22484 264: ok 22485 264: ok 22486 264: ok 22487 264: ok 22488 264: ok 22489 264: ok 22490 264: ok 22491 264: ok 22492 264: ok 22493 264: ok 22494 264: ok 22495 264: ok 22496 264: ok 22497 264: ok 22498 264: ok 22499 264: ok 22500 264: ok 22501 264: ok 22502 264: ok 22503 264: ok 22504 264: ok 22505 264: ok 22506 264: ok 22507 264: ok 22508 264: ok 22509 264: ok 22510 264: ok 22511 264: ok 22512 264: ok 22513 264: ok 22514 264: ok 22515 264: ok 22516 264: ok 22517 264: ok 22518 264: ok 22519 264: ok 22520 264: ok 22521 264: ok 22522 264: ok 22523 264: ok 22524 264: ok 22525 264: ok 22526 264: ok 22527 264: ok 22528 264: ok 22529 264: ok 22530 264: ok 22531 264: ok 22532 264: ok 22533 264: ok 22534 264: ok 22535 264: ok 22536 264: ok 22537 264: ok 22538 264: ok 22539 264: ok 22540 264: ok 22541 264: ok 22542 264: ok 22543 264: ok 22544 264: ok 22545 264: ok 22546 264: ok 22547 264: ok 22548 264: ok 22549 264: ok 22550 264: ok 22551 264: ok 22552 264: ok 22553 264: ok 22554 264: ok 22555 264: ok 22556 264: ok 22557 264: ok 22558 264: ok 22559 264: ok 22560 264: ok 22561 264: ok 22562 264: ok 22563 264: ok 22564 264: ok 22565 264: ok 22566 264: ok 22567 264: ok 22568 264: ok 22569 264: ok 22570 264: ok 22571 264: ok 22572 264: ok 22573 264: ok 22574 264: ok 22575 264: ok 22576 264: ok 22577 264: ok 22578 264: ok 22579 264: ok 22580 264: ok 22581 264: ok 22582 264: ok 22583 264: ok 22584 264: ok 22585 264: ok 22586 264: ok 22587 264: ok 22588 264: ok 22589 264: ok 22590 264: ok 22591 264: ok 22592 264: ok 22593 264: ok 22594 264: ok 22595 264: ok 22596 264: ok 22597 264: ok 22598 264: ok 22599 264: ok 22600 264: ok 22601 264: ok 22602 264: ok 22603 264: ok 22604 264: ok 22605 264: ok 22606 264: ok 22607 264: ok 22608 264: ok 22609 264: ok 22610 264: ok 22611 264: ok 22612 264: ok 22613 264: ok 22614 264: ok 22615 264: ok 22616 264: ok 22617 264: ok 22618 264: ok 22619 264: ok 22620 264: ok 22621 264: ok 22622 264: ok 22623 264: ok 22624 264: ok 22625 264: ok 22626 264: ok 22627 264: ok 22628 264: ok 22629 264: ok 22630 264: ok 22631 264: ok 22632 264: ok 22633 264: ok 22634 264: ok 22635 264: ok 22636 264: ok 22637 264: ok 22638 264: ok 22639 264: ok 22640 264: ok 22641 264: ok 22642 264: ok 22643 264: ok 22644 264: ok 22645 264: ok 22646 264: ok 22647 264: ok 22648 264: ok 22649 264: ok 22650 264: ok 22651 264: ok 22652 264: ok 22653 264: ok 22654 264: ok 22655 264: ok 22656 264: ok 22657 264: ok 22658 264: ok 22659 264: ok 22660 264: ok 22661 264: ok 22662 264: ok 22663 264: ok 22664 264: ok 22665 264: ok 22666 264: ok 22667 264: ok 22668 264: ok 22669 264: ok 22670 264: ok 22671 264: ok 22672 264: ok 22673 264: ok 22674 264: ok 22675 264: ok 22676 264: ok 22677 264: ok 22678 264: ok 22679 264: ok 22680 264: ok 22681 264: ok 22682 264: ok 22683 264: ok 22684 264: ok 22685 264: ok 22686 264: ok 22687 264: ok 22688 264: ok 22689 264: ok 22690 264: ok 22691 264: ok 22692 264: ok 22693 264: ok 22694 264: ok 22695 264: ok 22696 264: ok 22697 264: ok 22698 264: ok 22699 264: ok 22700 264: ok 22701 264: ok 22702 264: ok 22703 264: ok 22704 264: ok 22705 264: ok 22706 264: ok 22707 264: ok 22708 264: ok 22709 264: ok 22710 264: ok 22711 264: ok 22712 264: ok 22713 264: ok 22714 264: ok 22715 264: ok 22716 264: ok 22717 264: ok 22718 264: ok 22719 264: ok 22720 264: ok 22721 264: ok 22722 264: ok 22723 264: ok 22724 264: ok 22725 264: ok 22726 264: ok 22727 264: ok 22728 264: ok 22729 264: ok 22730 264: ok 22731 264: ok 22732 264: ok 22733 264: ok 22734 264: ok 22735 264: ok 22736 264: ok 22737 264: ok 22738 264: ok 22739 264: ok 22740 264: ok 22741 264: ok 22742 264: ok 22743 264: ok 22744 264: ok 22745 264: ok 22746 264: ok 22747 264: ok 22748 264: ok 22749 264: ok 22750 264: ok 22751 264: ok 22752 264: ok 22753 264: ok 22754 264: ok 22755 264: ok 22756 264: ok 22757 264: ok 22758 264: ok 22759 264: ok 22760 264: ok 22761 264: ok 22762 264: ok 22763 264: ok 22764 264: ok 22765 264: ok 22766 264: ok 22767 264: ok 22768 264: ok 22769 264: ok 22770 264: ok 22771 264: ok 22772 264: ok 22773 264: ok 22774 264: ok 22775 264: ok 22776 264: ok 22777 264: ok 22778 264: ok 22779 264: ok 22780 264: ok 22781 264: ok 22782 264: ok 22783 264: ok 22784 264: ok 22785 264: ok 22786 264: ok 22787 264: ok 22788 264: ok 22789 264: ok 22790 264: ok 22791 264: ok 22792 264: ok 22793 264: ok 22794 264: ok 22795 264: ok 22796 264: ok 22797 264: ok 22798 264: ok 22799 264: ok 22800 264: ok 22801 264: ok 22802 264: ok 22803 264: ok 22804 264: ok 22805 264: ok 22806 264: ok 22807 264: ok 22808 264: ok 22809 264: ok 22810 264: ok 22811 264: ok 22812 264: ok 22813 264: ok 22814 264: ok 22815 264: ok 22816 264: ok 22817 264: ok 22818 264: ok 22819 264: ok 22820 264: ok 22821 264: ok 22822 264: ok 22823 264: ok 22824 264: ok 22825 264: ok 22826 264: ok 22827 264: ok 22828 264: ok 22829 264: ok 22830 264: ok 22831 264: ok 22832 264: ok 22833 264: ok 22834 264: ok 22835 264: ok 22836 264: ok 22837 264: ok 22838 264: ok 22839 264: ok 22840 264: ok 22841 264: ok 22842 264: ok 22843 264: ok 22844 264: ok 22845 264: ok 22846 264: ok 22847 264: ok 22848 264: ok 22849 264: ok 22850 264: ok 22851 264: ok 22852 264: ok 22853 264: ok 22854 264: ok 22855 264: ok 22856 264: ok 22857 264: ok 22858 264: ok 22859 264: ok 22860 264: ok 22861 264: ok 22862 264: ok 22863 264: ok 22864 264: ok 22865 264: ok 22866 264: ok 22867 264: ok 22868 264: ok 22869 264: ok 22870 264: ok 22871 264: ok 22872 264: ok 22873 264: ok 22874 264: ok 22875 264: ok 22876 264: ok 22877 264: ok 22878 264: ok 22879 264: ok 22880 264: ok 22881 264: ok 22882 264: ok 22883 264: ok 22884 264: ok 22885 264: ok 22886 264: ok 22887 264: ok 22888 264: ok 22889 264: ok 22890 264: ok 22891 264: ok 22892 264: ok 22893 264: ok 22894 264: ok 22895 264: ok 22896 264: ok 22897 264: ok 22898 264: ok 22899 264: ok 22900 264: ok 22901 264: ok 22902 264: ok 22903 264: ok 22904 264: ok 22905 264: ok 22906 264: ok 22907 264: ok 22908 264: ok 22909 264: ok 22910 264: ok 22911 264: ok 22912 264: ok 22913 264: ok 22914 264: ok 22915 264: ok 22916 264: ok 22917 264: ok 22918 264: ok 22919 264: ok 22920 264: ok 22921 264: ok 22922 264: ok 22923 264: ok 22924 264: ok 22925 264: ok 22926 264: ok 22927 264: ok 22928 264: ok 22929 264: ok 22930 264: ok 22931 264: ok 22932 264: ok 22933 264: ok 22934 264: ok 22935 264: ok 22936 264: ok 22937 264: ok 22938 264: ok 22939 264: ok 22940 264: ok 22941 264: ok 22942 264: ok 22943 264: ok 22944 264: ok 22945 264: ok 22946 264: ok 22947 264: ok 22948 264: ok 22949 264: ok 22950 264: ok 22951 264: ok 22952 264: ok 22953 264: ok 22954 264: ok 22955 264: ok 22956 264: ok 22957 264: ok 22958 264: ok 22959 264: ok 22960 264: ok 22961 264: ok 22962 264: ok 22963 264: ok 22964 264: ok 22965 264: ok 22966 264: ok 22967 264: ok 22968 264: ok 22969 264: ok 22970 264: ok 22971 264: ok 22972 264: ok 22973 264: ok 22974 264: ok 22975 264: ok 22976 264: ok 22977 264: ok 22978 264: ok 22979 264: ok 22980 264: ok 22981 264: ok 22982 264: ok 22983 264: ok 22984 264: ok 22985 264: ok 22986 264: ok 22987 264: ok 22988 264: ok 22989 264: ok 22990 264: ok 22991 264: ok 22992 264: ok 22993 264: ok 22994 264: ok 22995 264: ok 22996 264: ok 22997 264: ok 22998 264: ok 22999 264: ok 23000 264: # math: passed testDistancesAnglesOrthogonality 264: 1..23000 264: # math: all tests are successful 259/333 Test #264: origtest_math_2 ..................................................................................... Passed 0.35 sec test 265 Start 265: origtest_math_3 265: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "math" "3" 265: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 265: Environment variables: 265: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 265: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 265: Test timeout computed to be: 1500 265: # math: repeating each test 1000 times 265: # Testing MMFF94 Force Field... 265: # math: entering testInversion 265: ok 1 265: ok 2 265: ok 3 265: ok 4 265: ok 5 265: ok 6 265: ok 7 265: ok 8 265: ok 9 265: ok 10 265: ok 11 265: ok 12 265: ok 13 265: ok 14 265: ok 15 265: ok 16 265: ok 17 265: ok 18 265: ok 19 265: ok 20 265: ok 21 265: ok 22 265: ok 23 265: ok 24 265: ok 25 265: ok 26 265: ok 27 265: ok 28 265: ok 29 265: ok 30 265: ok 31 265: ok 32 265: ok 33 265: ok 34 265: ok 35 265: ok 36 265: ok 37 265: ok 38 265: ok 39 265: ok 40 265: ok 41 265: ok 42 265: ok 43 265: ok 44 265: ok 45 265: ok 46 265: ok 47 265: ok 48 265: ok 49 265: ok 50 265: ok 51 265: ok 52 265: ok 53 265: ok 54 265: ok 55 265: ok 56 265: ok 57 265: ok 58 265: ok 59 265: ok 60 265: ok 61 265: ok 62 265: ok 63 265: ok 64 265: ok 65 265: ok 66 265: ok 67 265: ok 68 265: ok 69 265: ok 70 265: ok 71 265: ok 72 265: ok 73 265: ok 74 265: ok 75 265: ok 76 265: ok 77 265: ok 78 265: ok 79 265: ok 80 265: ok 81 265: ok 82 265: ok 83 265: ok 84 265: ok 85 265: ok 86 265: ok 87 265: ok 88 265: ok 89 265: ok 90 265: ok 91 265: ok 92 265: ok 93 265: ok 94 265: ok 95 265: ok 96 265: ok 97 265: ok 98 265: ok 99 265: ok 100 265: ok 101 265: ok 102 265: ok 103 265: ok 104 265: ok 105 265: ok 106 265: ok 107 265: ok 108 265: ok 109 265: ok 110 265: ok 111 265: ok 112 265: ok 113 265: ok 114 265: ok 115 265: ok 116 265: ok 117 265: ok 118 265: ok 119 265: ok 120 265: ok 121 265: ok 122 265: ok 123 265: ok 124 265: ok 125 265: ok 126 265: ok 127 265: ok 128 265: ok 129 265: ok 130 265: ok 131 265: ok 132 265: ok 133 265: ok 134 265: ok 135 265: ok 136 265: ok 137 265: ok 138 265: ok 139 265: ok 140 265: ok 141 265: ok 142 265: ok 143 265: ok 144 265: ok 145 265: ok 146 265: ok 147 265: ok 148 265: ok 149 265: ok 150 265: ok 151 265: ok 152 265: ok 153 265: ok 154 265: ok 155 265: ok 156 265: ok 157 265: ok 158 265: ok 159 265: ok 160 265: ok 161 265: ok 162 265: ok 163 265: ok 164 265: ok 165 265: ok 166 265: ok 167 265: ok 168 265: ok 169 265: ok 170 265: ok 171 265: ok 172 265: ok 173 265: ok 174 265: ok 175 265: ok 176 265: ok 177 265: ok 178 265: ok 179 265: ok 180 265: ok 181 265: ok 182 265: ok 183 265: ok 184 265: ok 185 265: ok 186 265: ok 187 265: ok 188 265: ok 189 265: ok 190 265: ok 191 265: ok 192 265: ok 193 265: ok 194 265: ok 195 265: ok 196 265: ok 197 265: ok 198 265: ok 199 265: ok 200 265: ok 201 265: ok 202 265: ok 203 265: ok 204 265: ok 205 265: ok 206 265: ok 207 265: ok 208 265: ok 209 265: ok 210 265: ok 211 265: ok 212 265: ok 213 265: ok 214 265: ok 215 265: ok 216 265: ok 217 265: ok 218 265: ok 219 265: ok 220 265: ok 221 265: ok 222 265: ok 223 265: ok 224 265: ok 225 265: ok 226 265: ok 227 265: ok 228 265: ok 229 265: ok 230 265: ok 231 265: ok 232 265: ok 233 265: ok 234 265: ok 235 265: ok 236 265: ok 237 265: ok 238 265: ok 239 265: ok 240 265: ok 241 265: ok 242 265: ok 243 265: ok 244 265: ok 245 265: ok 246 265: ok 247 265: ok 248 265: ok 249 265: ok 250 265: ok 251 265: ok 252 265: ok 253 265: ok 254 265: ok 255 265: ok 256 265: ok 257 265: ok 258 265: ok 259 265: ok 260 265: ok 261 265: ok 262 265: ok 263 265: ok 264 265: ok 265 265: ok 266 265: ok 267 265: ok 268 265: ok 269 265: ok 270 265: ok 271 265: ok 272 265: ok 273 265: ok 274 265: ok 275 265: ok 276 265: ok 277 265: ok 278 265: ok 279 265: ok 280 265: ok 281 265: ok 282 265: ok 283 265: ok 284 265: ok 285 265: ok 286 265: ok 287 265: ok 288 265: ok 289 265: ok 290 265: ok 291 265: ok 292 265: ok 293 265: ok 294 265: ok 295 265: ok 296 265: ok 297 265: ok 298 265: ok 299 265: ok 300 265: ok 301 265: ok 302 265: ok 303 265: ok 304 265: ok 305 265: ok 306 265: ok 307 265: ok 308 265: ok 309 265: ok 310 265: ok 311 265: ok 312 265: ok 313 265: ok 314 265: ok 315 265: ok 316 265: ok 317 265: ok 318 265: ok 319 265: ok 320 265: ok 321 265: ok 322 265: ok 323 265: ok 324 265: ok 325 265: ok 326 265: ok 327 265: ok 328 265: ok 329 265: ok 330 265: ok 331 265: ok 332 265: ok 333 265: ok 334 265: ok 335 265: ok 336 265: ok 337 265: ok 338 265: ok 339 265: ok 340 265: ok 341 265: ok 342 265: ok 343 265: ok 344 265: ok 345 265: ok 346 265: ok 347 265: ok 348 265: ok 349 265: ok 350 265: ok 351 265: ok 352 265: ok 353 265: ok 354 265: ok 355 265: ok 356 265: ok 357 265: ok 358 265: ok 359 265: ok 360 265: ok 361 265: ok 362 265: ok 363 265: ok 364 265: ok 365 265: ok 366 265: ok 367 265: ok 368 265: ok 369 265: ok 370 265: ok 371 265: ok 372 265: ok 373 265: ok 374 265: ok 375 265: ok 376 265: ok 377 265: ok 378 265: ok 379 265: ok 380 265: ok 381 265: ok 382 265: ok 383 265: ok 384 265: ok 385 265: ok 386 265: ok 387 265: ok 388 265: ok 389 265: ok 390 265: ok 391 265: ok 392 265: ok 393 265: ok 394 265: ok 395 265: ok 396 265: ok 397 265: ok 398 265: ok 399 265: ok 400 265: ok 401 265: ok 402 265: ok 403 265: ok 404 265: ok 405 265: ok 406 265: ok 407 265: ok 408 265: ok 409 265: ok 410 265: ok 411 265: ok 412 265: ok 413 265: ok 414 265: ok 415 265: ok 416 265: ok 417 265: ok 418 265: ok 419 265: ok 420 265: ok 421 265: ok 422 265: ok 423 265: ok 424 265: ok 425 265: ok 426 265: ok 427 265: ok 428 265: ok 429 265: ok 430 265: ok 431 265: ok 432 265: ok 433 265: ok 434 265: ok 435 265: ok 436 265: ok 437 265: ok 438 265: ok 439 265: ok 440 265: ok 441 265: ok 442 265: ok 443 265: ok 444 265: ok 445 265: ok 446 265: ok 447 265: ok 448 265: ok 449 265: ok 450 265: ok 451 265: ok 452 265: ok 453 265: ok 454 265: ok 455 265: ok 456 265: ok 457 265: ok 458 265: ok 459 265: ok 460 265: ok 461 265: ok 462 265: ok 463 265: ok 464 265: ok 465 265: ok 466 265: ok 467 265: ok 468 265: ok 469 265: ok 470 265: ok 471 265: ok 472 265: ok 473 265: ok 474 265: ok 475 265: ok 476 265: ok 477 265: ok 478 265: ok 479 265: ok 480 265: ok 481 265: ok 482 265: ok 483 265: ok 484 265: ok 485 265: ok 486 265: ok 487 265: ok 488 265: ok 489 265: ok 490 265: ok 491 265: ok 492 265: ok 493 265: ok 494 265: ok 495 265: ok 496 265: ok 497 265: ok 498 265: ok 499 265: ok 500 265: ok 501 265: ok 502 265: ok 503 265: ok 504 265: ok 505 265: ok 506 265: ok 507 265: ok 508 265: ok 509 265: ok 510 265: ok 511 265: ok 512 265: ok 513 265: ok 514 265: ok 515 265: ok 516 265: ok 517 265: ok 518 265: ok 519 265: ok 520 265: ok 521 265: ok 522 265: ok 523 265: ok 524 265: ok 525 265: ok 526 265: ok 527 265: ok 528 265: ok 529 265: ok 530 265: ok 531 265: ok 532 265: ok 533 265: ok 534 265: ok 535 265: ok 536 265: ok 537 265: ok 538 265: ok 539 265: ok 540 265: ok 541 265: ok 542 265: ok 543 265: ok 544 265: ok 545 265: ok 546 265: ok 547 265: ok 548 265: ok 549 265: ok 550 265: ok 551 265: ok 552 265: ok 553 265: ok 554 265: ok 555 265: ok 556 265: ok 557 265: ok 558 265: ok 559 265: ok 560 265: ok 561 265: ok 562 265: ok 563 265: ok 564 265: ok 565 265: ok 566 265: ok 567 265: ok 568 265: ok 569 265: ok 570 265: ok 571 265: ok 572 265: ok 573 265: ok 574 265: ok 575 265: ok 576 265: ok 577 265: ok 578 265: ok 579 265: ok 580 265: ok 581 265: ok 582 265: ok 583 265: ok 584 265: ok 585 265: ok 586 265: ok 587 265: ok 588 265: ok 589 265: ok 590 265: ok 591 265: ok 592 265: ok 593 265: ok 594 265: ok 595 265: ok 596 265: ok 597 265: ok 598 265: ok 599 265: ok 600 265: ok 601 265: ok 602 265: ok 603 265: ok 604 265: ok 605 265: ok 606 265: ok 607 265: ok 608 265: ok 609 265: ok 610 265: ok 611 265: ok 612 265: ok 613 265: ok 614 265: ok 615 265: ok 616 265: ok 617 265: ok 618 265: ok 619 265: ok 620 265: ok 621 265: ok 622 265: ok 623 265: ok 624 265: ok 625 265: ok 626 265: ok 627 265: ok 628 265: ok 629 265: ok 630 265: ok 631 265: ok 632 265: ok 633 265: ok 634 265: ok 635 265: ok 636 265: ok 637 265: ok 638 265: ok 639 265: ok 640 265: ok 641 265: ok 642 265: ok 643 265: ok 644 265: ok 645 265: ok 646 265: ok 647 265: ok 648 265: ok 649 265: ok 650 265: ok 651 265: ok 652 265: ok 653 265: ok 654 265: ok 655 265: ok 656 265: ok 657 265: ok 658 265: ok 659 265: ok 660 265: ok 661 265: ok 662 265: ok 663 265: ok 664 265: ok 665 265: ok 666 265: ok 667 265: ok 668 265: ok 669 265: ok 670 265: ok 671 265: ok 672 265: ok 673 265: ok 674 265: ok 675 265: ok 676 265: ok 677 265: ok 678 265: ok 679 265: ok 680 265: ok 681 265: ok 682 265: ok 683 265: ok 684 265: ok 685 265: ok 686 265: ok 687 265: ok 688 265: ok 689 265: ok 690 265: ok 691 265: ok 692 265: ok 693 265: ok 694 265: ok 695 265: ok 696 265: ok 697 265: ok 698 265: ok 699 265: ok 700 265: ok 701 265: ok 702 265: ok 703 265: ok 704 265: ok 705 265: ok 706 265: ok 707 265: ok 708 265: ok 709 265: ok 710 265: ok 711 265: ok 712 265: ok 713 265: ok 714 265: ok 715 265: ok 716 265: ok 717 265: ok 718 265: ok 719 265: ok 720 265: ok 721 265: ok 722 265: ok 723 265: ok 724 265: ok 725 265: ok 726 265: ok 727 265: ok 728 265: ok 729 265: ok 730 265: ok 731 265: ok 732 265: ok 733 265: ok 734 265: ok 735 265: ok 736 265: ok 737 265: ok 738 265: ok 739 265: ok 740 265: ok 741 265: ok 742 265: ok 743 265: ok 744 265: ok 745 265: ok 746 265: ok 747 265: ok 748 265: ok 749 265: ok 750 265: ok 751 265: ok 752 265: ok 753 265: ok 754 265: ok 755 265: ok 756 265: ok 757 265: ok 758 265: ok 759 265: ok 760 265: ok 761 265: ok 762 265: ok 763 265: ok 764 265: ok 765 265: ok 766 265: ok 767 265: ok 768 265: ok 769 265: ok 770 265: ok 771 265: ok 772 265: ok 773 265: ok 774 265: ok 775 265: ok 776 265: ok 777 265: ok 778 265: ok 779 265: ok 780 265: ok 781 265: ok 782 265: ok 783 265: ok 784 265: ok 785 265: ok 786 265: ok 787 265: ok 788 265: ok 789 265: ok 790 265: ok 791 265: ok 792 265: ok 793 265: ok 794 265: ok 795 265: ok 796 265: ok 797 265: ok 798 265: ok 799 265: ok 800 265: ok 801 265: ok 802 265: ok 803 265: ok 804 265: ok 805 265: ok 806 265: ok 807 265: ok 808 265: ok 809 265: ok 810 265: ok 811 265: ok 812 265: ok 813 265: ok 814 265: ok 815 265: ok 816 265: ok 817 265: ok 818 265: ok 819 265: ok 820 265: ok 821 265: ok 822 265: ok 823 265: ok 824 265: ok 825 265: ok 826 265: ok 827 265: ok 828 265: ok 829 265: ok 830 265: ok 831 265: ok 832 265: ok 833 265: ok 834 265: ok 835 265: ok 836 265: ok 837 265: ok 838 265: ok 839 265: ok 840 265: ok 841 265: ok 842 265: ok 843 265: ok 844 265: ok 845 265: ok 846 265: ok 847 265: ok 848 265: ok 849 265: ok 850 265: ok 851 265: ok 852 265: ok 853 265: ok 854 265: ok 855 265: ok 856 265: ok 857 265: ok 858 265: ok 859 265: ok 860 265: ok 861 265: ok 862 265: ok 863 265: ok 864 265: ok 865 265: ok 866 265: ok 867 265: ok 868 265: ok 869 265: ok 870 265: ok 871 265: ok 872 265: ok 873 265: ok 874 265: ok 875 265: ok 876 265: ok 877 265: ok 878 265: ok 879 265: ok 880 265: ok 881 265: ok 882 265: ok 883 265: ok 884 265: ok 885 265: ok 886 265: ok 887 265: ok 888 265: ok 889 265: ok 890 265: ok 891 265: ok 892 265: ok 893 265: ok 894 265: ok 895 265: ok 896 265: ok 897 265: ok 898 265: ok 899 265: ok 900 265: ok 901 265: ok 902 265: ok 903 265: ok 904 265: ok 905 265: ok 906 265: ok 907 265: ok 908 265: ok 909 265: ok 910 265: ok 911 265: ok 912 265: ok 913 265: ok 914 265: ok 915 265: ok 916 265: ok 917 265: ok 918 265: ok 919 265: ok 920 265: ok 921 265: ok 922 265: ok 923 265: ok 924 265: ok 925 265: ok 926 265: ok 927 265: ok 928 265: ok 929 265: ok 930 265: ok 931 265: ok 932 265: ok 933 265: ok 934 265: ok 935 265: ok 936 265: ok 937 265: ok 938 265: ok 939 265: ok 940 265: ok 941 265: ok 942 265: ok 943 265: ok 944 265: ok 945 265: ok 946 265: ok 947 265: ok 948 265: ok 949 265: ok 950 265: ok 951 265: ok 952 265: ok 953 265: ok 954 265: ok 955 265: ok 956 265: ok 957 265: ok 958 265: ok 959 265: ok 960 265: ok 961 265: ok 962 265: ok 963 265: ok 964 265: ok 965 265: ok 966 265: ok 967 265: ok 968 265: ok 969 265: ok 970 265: ok 971 265: ok 972 265: ok 973 265: ok 974 265: ok 975 265: ok 976 265: ok 977 265: ok 978 265: ok 979 265: ok 980 265: ok 981 265: ok 982 265: ok 983 265: ok 984 265: ok 985 265: ok 986 265: ok 987 265: ok 988 265: ok 989 265: ok 990 265: ok 991 265: ok 992 265: ok 993 265: ok 994 265: ok 995 265: ok 996 265: ok 997 265: ok 998 265: ok 999 265: ok 1000 265: # math: passed testInversion 265: 1..1000 265: # math: all tests are successful 260/333 Test #265: origtest_math_3 ..................................................................................... Passed 0.02 sec test 266 Start 266: origtest_math_4 266: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "math" "4" 266: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 266: Environment variables: 266: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 266: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 266: Test timeout computed to be: 1500 266: # math: repeating each test 1000 times 266: # Testing MMFF94 Force Field... 266: # math: entering testEigenvalues 266: ok 1 266: ok 2 266: ok 3 266: ok 4 266: ok 5 266: ok 6 266: ok 7 266: ok 8 266: ok 9 266: ok 10 266: ok 11 266: ok 12 266: ok 13 266: ok 14 266: ok 15 266: ok 16 266: ok 17 266: ok 18 266: ok 19 266: ok 20 266: ok 21 266: ok 22 266: ok 23 266: ok 24 266: ok 25 266: ok 26 266: ok 27 266: ok 28 266: ok 29 266: ok 30 266: ok 31 266: ok 32 266: ok 33 266: ok 34 266: ok 35 266: ok 36 266: ok 37 266: ok 38 266: ok 39 266: ok 40 266: ok 41 266: ok 42 266: ok 43 266: ok 44 266: ok 45 266: ok 46 266: ok 47 266: ok 48 266: ok 49 266: ok 50 266: ok 51 266: ok 52 266: ok 53 266: ok 54 266: ok 55 266: ok 56 266: ok 57 266: ok 58 266: ok 59 266: ok 60 266: ok 61 266: ok 62 266: ok 63 266: ok 64 266: ok 65 266: ok 66 266: ok 67 266: ok 68 266: ok 69 266: ok 70 266: ok 71 266: ok 72 266: ok 73 266: ok 74 266: ok 75 266: ok 76 266: ok 77 266: ok 78 266: ok 79 266: ok 80 266: ok 81 266: ok 82 266: ok 83 266: ok 84 266: ok 85 266: ok 86 266: ok 87 266: ok 88 266: ok 89 266: ok 90 266: ok 91 266: ok 92 266: ok 93 266: ok 94 266: ok 95 266: ok 96 266: ok 97 266: ok 98 266: ok 99 266: ok 100 266: ok 101 266: ok 102 266: ok 103 266: ok 104 266: ok 105 266: ok 106 266: ok 107 266: ok 108 266: ok 109 266: ok 110 266: ok 111 266: ok 112 266: ok 113 266: ok 114 266: ok 115 266: ok 116 266: ok 117 266: ok 118 266: ok 119 266: ok 120 266: ok 121 266: ok 122 266: ok 123 266: ok 124 266: ok 125 266: ok 126 266: ok 127 266: ok 128 266: ok 129 266: ok 130 266: ok 131 266: ok 132 266: ok 133 266: ok 134 266: ok 135 266: ok 136 266: ok 137 266: ok 138 266: ok 139 266: ok 140 266: ok 141 266: ok 142 266: ok 143 266: ok 144 266: ok 145 266: ok 146 266: ok 147 266: ok 148 266: ok 149 266: ok 150 266: ok 151 266: ok 152 266: ok 153 266: ok 154 266: ok 155 266: ok 156 266: ok 157 266: ok 158 266: ok 159 266: ok 160 266: ok 161 266: ok 162 266: ok 163 266: ok 164 266: ok 165 266: ok 166 266: ok 167 266: ok 168 266: ok 169 266: ok 170 266: ok 171 266: ok 172 266: ok 173 266: ok 174 266: ok 175 266: ok 176 266: ok 177 266: ok 178 266: ok 179 266: ok 180 266: ok 181 266: ok 182 266: ok 183 266: ok 184 266: ok 185 266: ok 186 266: ok 187 266: ok 188 266: ok 189 266: ok 190 266: ok 191 266: ok 192 266: ok 193 266: ok 194 266: ok 195 266: ok 196 266: ok 197 266: ok 198 266: ok 199 266: ok 200 266: ok 201 266: ok 202 266: ok 203 266: ok 204 266: ok 205 266: ok 206 266: ok 207 266: ok 208 266: ok 209 266: ok 210 266: ok 211 266: ok 212 266: ok 213 266: ok 214 266: ok 215 266: ok 216 266: ok 217 266: ok 218 266: ok 219 266: ok 220 266: ok 221 266: ok 222 266: ok 223 266: ok 224 266: ok 225 266: ok 226 266: ok 227 266: ok 228 266: ok 229 266: ok 230 266: ok 231 266: ok 232 266: ok 233 266: ok 234 266: ok 235 266: ok 236 266: ok 237 266: ok 238 266: ok 239 266: ok 240 266: ok 241 266: ok 242 266: ok 243 266: ok 244 266: ok 245 266: ok 246 266: ok 247 266: ok 248 266: ok 249 266: ok 250 266: ok 251 266: ok 252 266: ok 253 266: ok 254 266: ok 255 266: ok 256 266: ok 257 266: ok 258 266: ok 259 266: ok 260 266: ok 261 266: ok 262 266: ok 263 266: ok 264 266: ok 265 266: ok 266 266: ok 267 266: ok 268 266: ok 269 266: ok 270 266: ok 271 266: ok 272 266: ok 273 266: ok 274 266: ok 275 266: ok 276 266: ok 277 266: ok 278 266: ok 279 266: ok 280 266: ok 281 266: ok 282 266: ok 283 266: ok 284 266: ok 285 266: ok 286 266: ok 287 266: ok 288 266: ok 289 266: ok 290 266: ok 291 266: ok 292 266: ok 293 266: ok 294 266: ok 295 266: ok 296 266: ok 297 266: ok 298 266: ok 299 266: ok 300 266: ok 301 266: ok 302 266: ok 303 266: ok 304 266: ok 305 266: ok 306 266: ok 307 266: ok 308 266: ok 309 266: ok 310 266: ok 311 266: ok 312 266: ok 313 266: ok 314 266: ok 315 266: ok 316 266: ok 317 266: ok 318 266: ok 319 266: ok 320 266: ok 321 266: ok 322 266: ok 323 266: ok 324 266: ok 325 266: ok 326 266: ok 327 266: ok 328 266: ok 329 266: ok 330 266: ok 331 266: ok 332 266: ok 333 266: ok 334 266: ok 335 266: ok 336 266: ok 337 266: ok 338 266: ok 339 266: ok 340 266: ok 341 266: ok 342 266: ok 343 266: ok 344 266: ok 345 266: ok 346 266: ok 347 266: ok 348 266: ok 349 266: ok 350 266: ok 351 266: ok 352 266: ok 353 266: ok 354 266: ok 355 266: ok 356 266: ok 357 266: ok 358 266: ok 359 266: ok 360 266: ok 361 266: ok 362 266: ok 363 266: ok 364 266: ok 365 266: ok 366 266: ok 367 266: ok 368 266: ok 369 266: ok 370 266: ok 371 266: ok 372 266: ok 373 266: ok 374 266: ok 375 266: ok 376 266: ok 377 266: ok 378 266: ok 379 266: ok 380 266: ok 381 266: ok 382 266: ok 383 266: ok 384 266: ok 385 266: ok 386 266: ok 387 266: ok 388 266: ok 389 266: ok 390 266: ok 391 266: ok 392 266: ok 393 266: ok 394 266: ok 395 266: ok 396 266: ok 397 266: ok 398 266: ok 399 266: ok 400 266: ok 401 266: ok 402 266: ok 403 266: ok 404 266: ok 405 266: ok 406 266: ok 407 266: ok 408 266: ok 409 266: ok 410 266: ok 411 266: ok 412 266: ok 413 266: ok 414 266: ok 415 266: ok 416 266: ok 417 266: ok 418 266: ok 419 266: ok 420 266: ok 421 266: ok 422 266: ok 423 266: ok 424 266: ok 425 266: ok 426 266: ok 427 266: ok 428 266: ok 429 266: ok 430 266: ok 431 266: ok 432 266: ok 433 266: ok 434 266: ok 435 266: ok 436 266: ok 437 266: ok 438 266: ok 439 266: ok 440 266: ok 441 266: ok 442 266: ok 443 266: ok 444 266: ok 445 266: ok 446 266: ok 447 266: ok 448 266: ok 449 266: ok 450 266: ok 451 266: ok 452 266: ok 453 266: ok 454 266: ok 455 266: ok 456 266: ok 457 266: ok 458 266: ok 459 266: ok 460 266: ok 461 266: ok 462 266: ok 463 266: ok 464 266: ok 465 266: ok 466 266: ok 467 266: ok 468 266: ok 469 266: ok 470 266: ok 471 266: ok 472 266: ok 473 266: ok 474 266: ok 475 266: ok 476 266: ok 477 266: ok 478 266: ok 479 266: ok 480 266: ok 481 266: ok 482 266: ok 483 266: ok 484 266: ok 485 266: ok 486 266: ok 487 266: ok 488 266: ok 489 266: ok 490 266: ok 491 266: ok 492 266: ok 493 266: ok 494 266: ok 495 266: ok 496 266: ok 497 266: ok 498 266: ok 499 266: ok 500 266: ok 501 266: ok 502 266: ok 503 266: ok 504 266: ok 505 266: ok 506 266: ok 507 266: ok 508 266: ok 509 266: ok 510 266: ok 511 266: ok 512 266: ok 513 266: ok 514 266: ok 515 266: ok 516 266: ok 517 266: ok 518 266: ok 519 266: ok 520 266: ok 521 266: ok 522 266: ok 523 266: ok 524 266: ok 525 266: ok 526 266: ok 527 266: ok 528 266: ok 529 266: ok 530 266: ok 531 266: ok 532 266: ok 533 266: ok 534 266: ok 535 266: ok 536 266: ok 537 266: ok 538 266: ok 539 266: ok 540 266: ok 541 266: ok 542 266: ok 543 266: ok 544 266: ok 545 266: ok 546 266: ok 547 266: ok 548 266: ok 549 266: ok 550 266: ok 551 266: ok 552 266: ok 553 266: ok 554 266: ok 555 266: ok 556 266: ok 557 266: ok 558 266: ok 559 266: ok 560 266: ok 561 266: ok 562 266: ok 563 266: ok 564 266: ok 565 266: ok 566 266: ok 567 266: ok 568 266: ok 569 266: ok 570 266: ok 571 266: ok 572 266: ok 573 266: ok 574 266: ok 575 266: ok 576 266: ok 577 266: ok 578 266: ok 579 266: ok 580 266: ok 581 266: ok 582 266: ok 583 266: ok 584 266: ok 585 266: ok 586 266: ok 587 266: ok 588 266: ok 589 266: ok 590 266: ok 591 266: ok 592 266: ok 593 266: ok 594 266: ok 595 266: ok 596 266: ok 597 266: ok 598 266: ok 599 266: ok 600 266: ok 601 266: ok 602 266: ok 603 266: ok 604 266: ok 605 266: ok 606 266: ok 607 266: ok 608 266: ok 609 266: ok 610 266: ok 611 266: ok 612 266: ok 613 266: ok 614 266: ok 615 266: ok 616 266: ok 617 266: ok 618 266: ok 619 266: ok 620 266: ok 621 266: ok 622 266: ok 623 266: ok 624 266: ok 625 266: ok 626 266: ok 627 266: ok 628 266: ok 629 266: ok 630 266: ok 631 266: ok 632 266: ok 633 266: ok 634 266: ok 635 266: ok 636 266: ok 637 266: ok 638 266: ok 639 266: ok 640 266: ok 641 266: ok 642 266: ok 643 266: ok 644 266: ok 645 266: ok 646 266: ok 647 266: ok 648 266: ok 649 266: ok 650 266: ok 651 266: ok 652 266: ok 653 266: ok 654 266: ok 655 266: ok 656 266: ok 657 266: ok 658 266: ok 659 266: ok 660 266: ok 661 266: ok 662 266: ok 663 266: ok 664 266: ok 665 266: ok 666 266: ok 667 266: ok 668 266: ok 669 266: ok 670 266: ok 671 266: ok 672 266: ok 673 266: ok 674 266: ok 675 266: ok 676 266: ok 677 266: ok 678 266: ok 679 266: ok 680 266: ok 681 266: ok 682 266: ok 683 266: ok 684 266: ok 685 266: ok 686 266: ok 687 266: ok 688 266: ok 689 266: ok 690 266: ok 691 266: ok 692 266: ok 693 266: ok 694 266: ok 695 266: ok 696 266: ok 697 266: ok 698 266: ok 699 266: ok 700 266: ok 701 266: ok 702 266: ok 703 266: ok 704 266: ok 705 266: ok 706 266: ok 707 266: ok 708 266: ok 709 266: ok 710 266: ok 711 266: ok 712 266: ok 713 266: ok 714 266: ok 715 266: ok 716 266: ok 717 266: ok 718 266: ok 719 266: ok 720 266: ok 721 266: ok 722 266: ok 723 266: ok 724 266: ok 725 266: ok 726 266: ok 727 266: ok 728 266: ok 729 266: ok 730 266: ok 731 266: ok 732 266: ok 733 266: ok 734 266: ok 735 266: ok 736 266: ok 737 266: ok 738 266: ok 739 266: ok 740 266: ok 741 266: ok 742 266: ok 743 266: ok 744 266: ok 745 266: ok 746 266: ok 747 266: ok 748 266: ok 749 266: ok 750 266: ok 751 266: ok 752 266: ok 753 266: ok 754 266: ok 755 266: ok 756 266: ok 757 266: ok 758 266: ok 759 266: ok 760 266: ok 761 266: ok 762 266: ok 763 266: ok 764 266: ok 765 266: ok 766 266: ok 767 266: ok 768 266: ok 769 266: ok 770 266: ok 771 266: ok 772 266: ok 773 266: ok 774 266: ok 775 266: ok 776 266: ok 777 266: ok 778 266: ok 779 266: ok 780 266: ok 781 266: ok 782 266: ok 783 266: ok 784 266: ok 785 266: ok 786 266: ok 787 266: ok 788 266: ok 789 266: ok 790 266: ok 791 266: ok 792 266: ok 793 266: ok 794 266: ok 795 266: ok 796 266: ok 797 266: ok 798 266: ok 799 266: ok 800 266: ok 801 266: ok 802 266: ok 803 266: ok 804 266: ok 805 266: ok 806 266: ok 807 266: ok 808 266: ok 809 266: ok 810 266: ok 811 266: ok 812 266: ok 813 266: ok 814 266: ok 815 266: ok 816 266: ok 817 266: ok 818 266: ok 819 266: ok 820 266: ok 821 266: ok 822 266: ok 823 266: ok 824 266: ok 825 266: ok 826 266: ok 827 266: ok 828 266: ok 829 266: ok 830 266: ok 831 266: ok 832 266: ok 833 266: ok 834 266: ok 835 266: ok 836 266: ok 837 266: ok 838 266: ok 839 266: ok 840 266: ok 841 266: ok 842 266: ok 843 266: ok 844 266: ok 845 266: ok 846 266: ok 847 266: ok 848 266: ok 849 266: ok 850 266: ok 851 266: ok 852 266: ok 853 266: ok 854 266: ok 855 266: ok 856 266: ok 857 266: ok 858 266: ok 859 266: ok 860 266: ok 861 266: ok 862 266: ok 863 266: ok 864 266: ok 865 266: ok 866 266: ok 867 266: ok 868 266: ok 869 266: ok 870 266: ok 871 266: ok 872 266: ok 873 266: ok 874 266: ok 875 266: ok 876 266: ok 877 266: ok 878 266: ok 879 266: ok 880 266: ok 881 266: ok 882 266: ok 883 266: ok 884 266: ok 885 266: ok 886 266: ok 887 266: ok 888 266: ok 889 266: ok 890 266: ok 891 266: ok 892 266: ok 893 266: ok 894 266: ok 895 266: ok 896 266: ok 897 266: ok 898 266: ok 899 266: ok 900 266: ok 901 266: ok 902 266: ok 903 266: ok 904 266: ok 905 266: ok 906 266: ok 907 266: ok 908 266: ok 909 266: ok 910 266: ok 911 266: ok 912 266: ok 913 266: ok 914 266: ok 915 266: ok 916 266: ok 917 266: ok 918 266: ok 919 266: ok 920 266: ok 921 266: ok 922 266: ok 923 266: ok 924 266: ok 925 266: ok 926 266: ok 927 266: ok 928 266: ok 929 266: ok 930 266: ok 931 266: ok 932 266: ok 933 266: ok 934 266: ok 935 266: ok 936 266: ok 937 266: ok 938 266: ok 939 266: ok 940 266: ok 941 266: ok 942 266: ok 943 266: ok 944 266: ok 945 266: ok 946 266: ok 947 266: ok 948 266: ok 949 266: ok 950 266: ok 951 266: ok 952 266: ok 953 266: ok 954 266: ok 955 266: ok 956 266: ok 957 266: ok 958 266: ok 959 266: ok 960 266: ok 961 266: ok 962 266: ok 963 266: ok 964 266: ok 965 266: ok 966 266: ok 967 266: ok 968 266: ok 969 266: ok 970 266: ok 971 266: ok 972 266: ok 973 266: ok 974 266: ok 975 266: ok 976 266: ok 977 266: ok 978 266: ok 979 266: ok 980 266: ok 981 266: ok 982 266: ok 983 266: ok 984 266: ok 985 266: ok 986 266: ok 987 266: ok 988 266: ok 989 266: ok 990 266: ok 991 266: ok 992 266: ok 993 266: ok 994 266: ok 995 266: ok 996 266: ok 997 266: ok 998 266: ok 999 266: ok 1000 266: ok 1001 266: ok 1002 266: ok 1003 266: ok 1004 266: ok 1005 266: ok 1006 266: ok 1007 266: ok 1008 266: ok 1009 266: ok 1010 266: ok 1011 266: ok 1012 266: ok 1013 266: ok 1014 266: ok 1015 266: ok 1016 266: ok 1017 266: ok 1018 266: ok 1019 266: ok 1020 266: ok 1021 266: ok 1022 266: ok 1023 266: ok 1024 266: ok 1025 266: ok 1026 266: ok 1027 266: ok 1028 266: ok 1029 266: ok 1030 266: ok 1031 266: ok 1032 266: ok 1033 266: ok 1034 266: ok 1035 266: ok 1036 266: ok 1037 266: ok 1038 266: ok 1039 266: ok 1040 266: ok 1041 266: ok 1042 266: ok 1043 266: ok 1044 266: ok 1045 266: ok 1046 266: ok 1047 266: ok 1048 266: ok 1049 266: ok 1050 266: ok 1051 266: ok 1052 266: ok 1053 266: ok 1054 266: ok 1055 266: ok 1056 266: ok 1057 266: ok 1058 266: ok 1059 266: ok 1060 266: ok 1061 266: ok 1062 266: ok 1063 266: ok 1064 266: ok 1065 266: ok 1066 266: ok 1067 266: ok 1068 266: ok 1069 266: ok 1070 266: ok 1071 266: ok 1072 266: ok 1073 266: ok 1074 266: ok 1075 266: ok 1076 266: ok 1077 266: ok 1078 266: ok 1079 266: ok 1080 266: ok 1081 266: ok 1082 266: ok 1083 266: ok 1084 266: ok 1085 266: ok 1086 266: ok 1087 266: ok 1088 266: ok 1089 266: ok 1090 266: ok 1091 266: ok 1092 266: ok 1093 266: ok 1094 266: ok 1095 266: ok 1096 266: ok 1097 266: ok 1098 266: ok 1099 266: ok 1100 266: ok 1101 266: ok 1102 266: ok 1103 266: ok 1104 266: ok 1105 266: ok 1106 266: ok 1107 266: ok 1108 266: ok 1109 266: ok 1110 266: ok 1111 266: ok 1112 266: ok 1113 266: ok 1114 266: ok 1115 266: ok 1116 266: ok 1117 266: ok 1118 266: ok 1119 266: ok 1120 266: ok 1121 266: ok 1122 266: ok 1123 266: ok 1124 266: ok 1125 266: ok 1126 266: ok 1127 266: ok 1128 266: ok 1129 266: ok 1130 266: ok 1131 266: ok 1132 266: ok 1133 266: ok 1134 266: ok 1135 266: ok 1136 266: ok 1137 266: ok 1138 266: ok 1139 266: ok 1140 266: ok 1141 266: ok 1142 266: ok 1143 266: ok 1144 266: ok 1145 266: ok 1146 266: ok 1147 266: ok 1148 266: ok 1149 266: ok 1150 266: ok 1151 266: ok 1152 266: ok 1153 266: ok 1154 266: ok 1155 266: ok 1156 266: ok 1157 266: ok 1158 266: ok 1159 266: ok 1160 266: ok 1161 266: ok 1162 266: ok 1163 266: ok 1164 266: ok 1165 266: ok 1166 266: ok 1167 266: ok 1168 266: ok 1169 266: ok 1170 266: ok 1171 266: ok 1172 266: ok 1173 266: ok 1174 266: ok 1175 266: ok 1176 266: ok 1177 266: ok 1178 266: ok 1179 266: ok 1180 266: ok 1181 266: ok 1182 266: ok 1183 266: ok 1184 266: ok 1185 266: ok 1186 266: ok 1187 266: ok 1188 266: ok 1189 266: ok 1190 266: ok 1191 266: ok 1192 266: ok 1193 266: ok 1194 266: ok 1195 266: ok 1196 266: ok 1197 266: ok 1198 266: ok 1199 266: ok 1200 266: ok 1201 266: ok 1202 266: ok 1203 266: ok 1204 266: ok 1205 266: ok 1206 266: ok 1207 266: ok 1208 266: ok 1209 266: ok 1210 266: ok 1211 266: ok 1212 266: ok 1213 266: ok 1214 266: ok 1215 266: ok 1216 266: ok 1217 266: ok 1218 266: ok 1219 266: ok 1220 266: ok 1221 266: ok 1222 266: ok 1223 266: ok 1224 266: ok 1225 266: ok 1226 266: ok 1227 266: ok 1228 266: ok 1229 266: ok 1230 266: ok 1231 266: ok 1232 266: ok 1233 266: ok 1234 266: ok 1235 266: ok 1236 266: ok 1237 266: ok 1238 266: ok 1239 266: ok 1240 266: ok 1241 266: ok 1242 266: ok 1243 266: ok 1244 266: ok 1245 266: ok 1246 266: ok 1247 266: ok 1248 266: ok 1249 266: ok 1250 266: ok 1251 266: ok 1252 266: ok 1253 266: ok 1254 266: ok 1255 266: ok 1256 266: ok 1257 266: ok 1258 266: ok 1259 266: ok 1260 266: ok 1261 266: ok 1262 266: ok 1263 266: ok 1264 266: ok 1265 266: ok 1266 266: ok 1267 266: ok 1268 266: ok 1269 266: ok 1270 266: ok 1271 266: ok 1272 266: ok 1273 266: ok 1274 266: ok 1275 266: ok 1276 266: ok 1277 266: ok 1278 266: ok 1279 266: ok 1280 266: ok 1281 266: ok 1282 266: ok 1283 266: ok 1284 266: ok 1285 266: ok 1286 266: ok 1287 266: ok 1288 266: ok 1289 266: ok 1290 266: ok 1291 266: ok 1292 266: ok 1293 266: ok 1294 266: ok 1295 266: ok 1296 266: ok 1297 266: ok 1298 266: ok 1299 266: ok 1300 266: ok 1301 266: ok 1302 266: ok 1303 266: ok 1304 266: ok 1305 266: ok 1306 266: ok 1307 266: ok 1308 266: ok 1309 266: ok 1310 266: ok 1311 266: ok 1312 266: ok 1313 266: ok 1314 266: ok 1315 266: ok 1316 266: ok 1317 266: ok 1318 266: ok 1319 266: ok 1320 266: ok 1321 266: ok 1322 266: ok 1323 266: ok 1324 266: ok 1325 266: ok 1326 266: ok 1327 266: ok 1328 266: ok 1329 266: ok 1330 266: ok 1331 266: ok 1332 266: ok 1333 266: ok 1334 266: ok 1335 266: ok 1336 266: ok 1337 266: ok 1338 266: ok 1339 266: ok 1340 266: ok 1341 266: ok 1342 266: ok 1343 266: ok 1344 266: ok 1345 266: ok 1346 266: ok 1347 266: ok 1348 266: ok 1349 266: ok 1350 266: ok 1351 266: ok 1352 266: ok 1353 266: ok 1354 266: ok 1355 266: ok 1356 266: ok 1357 266: ok 1358 266: ok 1359 266: ok 1360 266: ok 1361 266: ok 1362 266: ok 1363 266: ok 1364 266: ok 1365 266: ok 1366 266: ok 1367 266: ok 1368 266: ok 1369 266: ok 1370 266: ok 1371 266: ok 1372 266: ok 1373 266: ok 1374 266: ok 1375 266: ok 1376 266: ok 1377 266: ok 1378 266: ok 1379 266: ok 1380 266: ok 1381 266: ok 1382 266: ok 1383 266: ok 1384 266: ok 1385 266: ok 1386 266: ok 1387 266: ok 1388 266: ok 1389 266: ok 1390 266: ok 1391 266: ok 1392 266: ok 1393 266: ok 1394 266: ok 1395 266: ok 1396 266: ok 1397 266: ok 1398 266: ok 1399 266: ok 1400 266: ok 1401 266: ok 1402 266: ok 1403 266: ok 1404 266: ok 1405 266: ok 1406 266: ok 1407 266: ok 1408 266: ok 1409 266: ok 1410 266: ok 1411 266: ok 1412 266: ok 1413 266: ok 1414 266: ok 1415 266: ok 1416 266: ok 1417 266: ok 1418 266: ok 1419 266: ok 1420 266: ok 1421 266: ok 1422 266: ok 1423 266: ok 1424 266: ok 1425 266: ok 1426 266: ok 1427 266: ok 1428 266: ok 1429 266: ok 1430 266: ok 1431 266: ok 1432 266: ok 1433 266: ok 1434 266: ok 1435 266: ok 1436 266: ok 1437 266: ok 1438 266: ok 1439 266: ok 1440 266: ok 1441 266: ok 1442 266: ok 1443 266: ok 1444 266: ok 1445 266: ok 1446 266: ok 1447 266: ok 1448 266: ok 1449 266: ok 1450 266: ok 1451 266: ok 1452 266: ok 1453 266: ok 1454 266: ok 1455 266: ok 1456 266: ok 1457 266: ok 1458 266: ok 1459 266: ok 1460 266: ok 1461 266: ok 1462 266: ok 1463 266: ok 1464 266: ok 1465 266: ok 1466 266: ok 1467 266: ok 1468 266: ok 1469 266: ok 1470 266: ok 1471 266: ok 1472 266: ok 1473 266: ok 1474 266: ok 1475 266: ok 1476 266: ok 1477 266: ok 1478 266: ok 1479 266: ok 1480 266: ok 1481 266: ok 1482 266: ok 1483 266: ok 1484 266: ok 1485 266: ok 1486 266: ok 1487 266: ok 1488 266: ok 1489 266: ok 1490 266: ok 1491 266: ok 1492 266: ok 1493 266: ok 1494 266: ok 1495 266: ok 1496 266: ok 1497 266: ok 1498 266: ok 1499 266: ok 1500 266: ok 1501 266: ok 1502 266: ok 1503 266: ok 1504 266: ok 1505 266: ok 1506 266: ok 1507 266: ok 1508 266: ok 1509 266: ok 1510 266: ok 1511 266: ok 1512 266: ok 1513 266: ok 1514 266: ok 1515 266: ok 1516 266: ok 1517 266: ok 1518 266: ok 1519 266: ok 1520 266: ok 1521 266: ok 1522 266: ok 1523 266: ok 1524 266: ok 1525 266: ok 1526 266: ok 1527 266: ok 1528 266: ok 1529 266: ok 1530 266: ok 1531 266: ok 1532 266: ok 1533 266: ok 1534 266: ok 1535 266: ok 1536 266: ok 1537 266: ok 1538 266: ok 1539 266: ok 1540 266: ok 1541 266: ok 1542 266: ok 1543 266: ok 1544 266: ok 1545 266: ok 1546 266: ok 1547 266: ok 1548 266: ok 1549 266: ok 1550 266: ok 1551 266: ok 1552 266: ok 1553 266: ok 1554 266: ok 1555 266: ok 1556 266: ok 1557 266: ok 1558 266: ok 1559 266: ok 1560 266: ok 1561 266: ok 1562 266: ok 1563 266: ok 1564 266: ok 1565 266: ok 1566 266: ok 1567 266: ok 1568 266: ok 1569 266: ok 1570 266: ok 1571 266: ok 1572 266: ok 1573 266: ok 1574 266: ok 1575 266: ok 1576 266: ok 1577 266: ok 1578 266: ok 1579 266: ok 1580 266: ok 1581 266: ok 1582 266: ok 1583 266: ok 1584 266: ok 1585 266: ok 1586 266: ok 1587 266: ok 1588 266: ok 1589 266: ok 1590 266: ok 1591 266: ok 1592 266: ok 1593 266: ok 1594 266: ok 1595 266: ok 1596 266: ok 1597 266: ok 1598 266: ok 1599 266: ok 1600 266: ok 1601 266: ok 1602 266: ok 1603 266: ok 1604 266: ok 1605 266: ok 1606 266: ok 1607 266: ok 1608 266: ok 1609 266: ok 1610 266: ok 1611 266: ok 1612 266: ok 1613 266: ok 1614 266: ok 1615 266: ok 1616 266: ok 1617 266: ok 1618 266: ok 1619 266: ok 1620 266: ok 1621 266: ok 1622 266: ok 1623 266: ok 1624 266: ok 1625 266: ok 1626 266: ok 1627 266: ok 1628 266: ok 1629 266: ok 1630 266: ok 1631 266: ok 1632 266: ok 1633 266: ok 1634 266: ok 1635 266: ok 1636 266: ok 1637 266: ok 1638 266: ok 1639 266: ok 1640 266: ok 1641 266: ok 1642 266: ok 1643 266: ok 1644 266: ok 1645 266: ok 1646 266: ok 1647 266: ok 1648 266: ok 1649 266: ok 1650 266: ok 1651 266: ok 1652 266: ok 1653 266: ok 1654 266: ok 1655 266: ok 1656 266: ok 1657 266: ok 1658 266: ok 1659 266: ok 1660 266: ok 1661 266: ok 1662 266: ok 1663 266: ok 1664 266: ok 1665 266: ok 1666 266: ok 1667 266: ok 1668 266: ok 1669 266: ok 1670 266: ok 1671 266: ok 1672 266: ok 1673 266: ok 1674 266: ok 1675 266: ok 1676 266: ok 1677 266: ok 1678 266: ok 1679 266: ok 1680 266: ok 1681 266: ok 1682 266: ok 1683 266: ok 1684 266: ok 1685 266: ok 1686 266: ok 1687 266: ok 1688 266: ok 1689 266: ok 1690 266: ok 1691 266: ok 1692 266: ok 1693 266: ok 1694 266: ok 1695 266: ok 1696 266: ok 1697 266: ok 1698 266: ok 1699 266: ok 1700 266: ok 1701 266: ok 1702 266: ok 1703 266: ok 1704 266: ok 1705 266: ok 1706 266: ok 1707 266: ok 1708 266: ok 1709 266: ok 1710 266: ok 1711 266: ok 1712 266: ok 1713 266: ok 1714 266: ok 1715 266: ok 1716 266: ok 1717 266: ok 1718 266: ok 1719 266: ok 1720 266: ok 1721 266: ok 1722 266: ok 1723 266: ok 1724 266: ok 1725 266: ok 1726 266: ok 1727 266: ok 1728 266: ok 1729 266: ok 1730 266: ok 1731 266: ok 1732 266: ok 1733 266: ok 1734 266: ok 1735 266: ok 1736 266: ok 1737 266: ok 1738 266: ok 1739 266: ok 1740 266: ok 1741 266: ok 1742 266: ok 1743 266: ok 1744 266: ok 1745 266: ok 1746 266: ok 1747 266: ok 1748 266: ok 1749 266: ok 1750 266: ok 1751 266: ok 1752 266: ok 1753 266: ok 1754 266: ok 1755 266: ok 1756 266: ok 1757 266: ok 1758 266: ok 1759 266: ok 1760 266: ok 1761 266: ok 1762 266: ok 1763 266: ok 1764 266: ok 1765 266: ok 1766 266: ok 1767 266: ok 1768 266: ok 1769 266: ok 1770 266: ok 1771 266: ok 1772 266: ok 1773 266: ok 1774 266: ok 1775 266: ok 1776 266: ok 1777 266: ok 1778 266: ok 1779 266: ok 1780 266: ok 1781 266: ok 1782 266: ok 1783 266: ok 1784 266: ok 1785 266: ok 1786 266: ok 1787 266: ok 1788 266: ok 1789 266: ok 1790 266: ok 1791 266: ok 1792 266: ok 1793 266: ok 1794 266: ok 1795 266: ok 1796 266: ok 1797 266: ok 1798 266: ok 1799 266: ok 1800 266: ok 1801 266: ok 1802 266: ok 1803 266: ok 1804 266: ok 1805 266: ok 1806 266: ok 1807 266: ok 1808 266: ok 1809 266: ok 1810 266: ok 1811 266: ok 1812 266: ok 1813 266: ok 1814 266: ok 1815 266: ok 1816 266: ok 1817 266: ok 1818 266: ok 1819 266: ok 1820 266: ok 1821 266: ok 1822 266: ok 1823 266: ok 1824 266: ok 1825 266: ok 1826 266: ok 1827 266: ok 1828 266: ok 1829 266: ok 1830 266: ok 1831 266: ok 1832 266: ok 1833 266: ok 1834 266: ok 1835 266: ok 1836 266: ok 1837 266: ok 1838 266: ok 1839 266: ok 1840 266: ok 1841 266: ok 1842 266: ok 1843 266: ok 1844 266: ok 1845 266: ok 1846 266: ok 1847 266: ok 1848 266: ok 1849 266: ok 1850 266: ok 1851 266: ok 1852 266: ok 1853 266: ok 1854 266: ok 1855 266: ok 1856 266: ok 1857 266: ok 1858 266: ok 1859 266: ok 1860 266: ok 1861 266: ok 1862 266: ok 1863 266: ok 1864 266: ok 1865 266: ok 1866 266: ok 1867 266: ok 1868 266: ok 1869 266: ok 1870 266: ok 1871 266: ok 1872 266: ok 1873 266: ok 1874 266: ok 1875 266: ok 1876 266: ok 1877 266: ok 1878 266: ok 1879 266: ok 1880 266: ok 1881 266: ok 1882 266: ok 1883 266: ok 1884 266: ok 1885 266: ok 1886 266: ok 1887 266: ok 1888 266: ok 1889 266: ok 1890 266: ok 1891 266: ok 1892 266: ok 1893 266: ok 1894 266: ok 1895 266: ok 1896 266: ok 1897 266: ok 1898 266: ok 1899 266: ok 1900 266: ok 1901 266: ok 1902 266: ok 1903 266: ok 1904 266: ok 1905 266: ok 1906 266: ok 1907 266: ok 1908 266: ok 1909 266: ok 1910 266: ok 1911 266: ok 1912 266: ok 1913 266: ok 1914 266: ok 1915 266: ok 1916 266: ok 1917 266: ok 1918 266: ok 1919 266: ok 1920 266: ok 1921 266: ok 1922 266: ok 1923 266: ok 1924 266: ok 1925 266: ok 1926 266: ok 1927 266: ok 1928 266: ok 1929 266: ok 1930 266: ok 1931 266: ok 1932 266: ok 1933 266: ok 1934 266: ok 1935 266: ok 1936 266: ok 1937 266: ok 1938 266: ok 1939 266: ok 1940 266: ok 1941 266: ok 1942 266: ok 1943 266: ok 1944 266: ok 1945 266: ok 1946 266: ok 1947 266: ok 1948 266: ok 1949 266: ok 1950 266: ok 1951 266: ok 1952 266: ok 1953 266: ok 1954 266: ok 1955 266: ok 1956 266: ok 1957 266: ok 1958 266: ok 1959 266: ok 1960 266: ok 1961 266: ok 1962 266: ok 1963 266: ok 1964 266: ok 1965 266: ok 1966 266: ok 1967 266: ok 1968 266: ok 1969 266: ok 1970 266: ok 1971 266: ok 1972 266: ok 1973 266: ok 1974 266: ok 1975 266: ok 1976 266: ok 1977 266: ok 1978 266: ok 1979 266: ok 1980 266: ok 1981 266: ok 1982 266: ok 1983 266: ok 1984 266: ok 1985 266: ok 1986 266: ok 1987 266: ok 1988 266: ok 1989 266: ok 1990 266: ok 1991 266: ok 1992 266: ok 1993 266: ok 1994 266: ok 1995 266: ok 1996 266: ok 1997 266: ok 1998 266: ok 1999 266: ok 2000 266: ok 2001 266: ok 2002 266: ok 2003 266: ok 2004 266: ok 2005 266: ok 2006 266: ok 2007 266: ok 2008 266: ok 2009 266: ok 2010 266: ok 2011 266: ok 2012 266: ok 2013 266: ok 2014 266: ok 2015 266: ok 2016 266: ok 2017 266: ok 2018 266: ok 2019 266: ok 2020 266: ok 2021 266: ok 2022 266: ok 2023 266: ok 2024 266: ok 2025 266: ok 2026 266: ok 2027 266: ok 2028 266: ok 2029 266: ok 2030 266: ok 2031 266: ok 2032 266: ok 2033 266: ok 2034 266: ok 2035 266: ok 2036 266: ok 2037 266: ok 2038 266: ok 2039 266: ok 2040 266: ok 2041 266: ok 2042 266: ok 2043 266: ok 2044 266: ok 2045 266: ok 2046 266: ok 2047 266: ok 2048 266: ok 2049 266: ok 2050 266: ok 2051 266: ok 2052 266: ok 2053 266: ok 2054 266: ok 2055 266: ok 2056 266: ok 2057 266: ok 2058 266: ok 2059 266: ok 2060 266: ok 2061 266: ok 2062 266: ok 2063 266: ok 2064 266: ok 2065 266: ok 2066 266: ok 2067 266: ok 2068 266: ok 2069 266: ok 2070 266: ok 2071 266: ok 2072 266: ok 2073 266: ok 2074 266: ok 2075 266: ok 2076 266: ok 2077 266: ok 2078 266: ok 2079 266: ok 2080 266: ok 2081 266: ok 2082 266: ok 2083 266: ok 2084 266: ok 2085 266: ok 2086 266: ok 2087 266: ok 2088 266: ok 2089 266: ok 2090 266: ok 2091 266: ok 2092 266: ok 2093 266: ok 2094 266: ok 2095 266: ok 2096 266: ok 2097 266: ok 2098 266: ok 2099 266: ok 2100 266: ok 2101 266: ok 2102 266: ok 2103 266: ok 2104 266: ok 2105 266: ok 2106 266: ok 2107 266: ok 2108 266: ok 2109 266: ok 2110 266: ok 2111 266: ok 2112 266: ok 2113 266: ok 2114 266: ok 2115 266: ok 2116 266: ok 2117 266: ok 2118 266: ok 2119 266: ok 2120 266: ok 2121 266: ok 2122 266: ok 2123 266: ok 2124 266: ok 2125 266: ok 2126 266: ok 2127 266: ok 2128 266: ok 2129 266: ok 2130 266: ok 2131 266: ok 2132 266: ok 2133 266: ok 2134 266: ok 2135 266: ok 2136 266: ok 2137 266: ok 2138 266: ok 2139 266: ok 2140 266: ok 2141 266: ok 2142 266: ok 2143 266: ok 2144 266: ok 2145 266: ok 2146 266: ok 2147 266: ok 2148 266: ok 2149 266: ok 2150 266: ok 2151 266: ok 2152 266: ok 2153 266: ok 2154 266: ok 2155 266: ok 2156 266: ok 2157 266: ok 2158 266: ok 2159 266: ok 2160 266: ok 2161 266: ok 2162 266: ok 2163 266: ok 2164 266: ok 2165 266: ok 2166 266: ok 2167 266: ok 2168 266: ok 2169 266: ok 2170 266: ok 2171 266: ok 2172 266: ok 2173 266: ok 2174 266: ok 2175 266: ok 2176 266: ok 2177 266: ok 2178 266: ok 2179 266: ok 2180 266: ok 2181 266: ok 2182 266: ok 2183 266: ok 2184 266: ok 2185 266: ok 2186 266: ok 2187 266: ok 2188 266: ok 2189 266: ok 2190 266: ok 2191 266: ok 2192 266: ok 2193 266: ok 2194 266: ok 2195 266: ok 2196 266: ok 2197 266: ok 2198 266: ok 2199 266: ok 2200 266: ok 2201 266: ok 2202 266: ok 2203 266: ok 2204 266: ok 2205 266: ok 2206 266: ok 2207 266: ok 2208 266: ok 2209 266: ok 2210 266: ok 2211 266: ok 2212 266: ok 2213 266: ok 2214 266: ok 2215 266: ok 2216 266: ok 2217 266: ok 2218 266: ok 2219 266: ok 2220 266: ok 2221 266: ok 2222 266: ok 2223 266: ok 2224 266: ok 2225 266: ok 2226 266: ok 2227 266: ok 2228 266: ok 2229 266: ok 2230 266: ok 2231 266: ok 2232 266: ok 2233 266: ok 2234 266: ok 2235 266: ok 2236 266: ok 2237 266: ok 2238 266: ok 2239 266: ok 2240 266: ok 2241 266: ok 2242 266: ok 2243 266: ok 2244 266: ok 2245 266: ok 2246 266: ok 2247 266: ok 2248 266: ok 2249 266: ok 2250 266: ok 2251 266: ok 2252 266: ok 2253 266: ok 2254 266: ok 2255 266: ok 2256 266: ok 2257 266: ok 2258 266: ok 2259 266: ok 2260 266: ok 2261 266: ok 2262 266: ok 2263 266: ok 2264 266: ok 2265 266: ok 2266 266: ok 2267 266: ok 2268 266: ok 2269 266: ok 2270 266: ok 2271 266: ok 2272 266: ok 2273 266: ok 2274 266: ok 2275 266: ok 2276 266: ok 2277 266: ok 2278 266: ok 2279 266: ok 2280 266: ok 2281 266: ok 2282 266: ok 2283 266: ok 2284 266: ok 2285 266: ok 2286 266: ok 2287 266: ok 2288 266: ok 2289 266: ok 2290 266: ok 2291 266: ok 2292 266: ok 2293 266: ok 2294 266: ok 2295 266: ok 2296 266: ok 2297 266: ok 2298 266: ok 2299 266: ok 2300 266: ok 2301 266: ok 2302 266: ok 2303 266: ok 2304 266: ok 2305 266: ok 2306 266: ok 2307 266: ok 2308 266: ok 2309 266: ok 2310 266: ok 2311 266: ok 2312 266: ok 2313 266: ok 2314 266: ok 2315 266: ok 2316 266: ok 2317 266: ok 2318 266: ok 2319 266: ok 2320 266: ok 2321 266: ok 2322 266: ok 2323 266: ok 2324 266: ok 2325 266: ok 2326 266: ok 2327 266: ok 2328 266: ok 2329 266: ok 2330 266: ok 2331 266: ok 2332 266: ok 2333 266: ok 2334 266: ok 2335 266: ok 2336 266: ok 2337 266: ok 2338 266: ok 2339 266: ok 2340 266: ok 2341 266: ok 2342 266: ok 2343 266: ok 2344 266: ok 2345 266: ok 2346 266: ok 2347 266: ok 2348 266: ok 2349 266: ok 2350 266: ok 2351 266: ok 2352 266: ok 2353 266: ok 2354 266: ok 2355 266: ok 2356 266: ok 2357 266: ok 2358 266: ok 2359 266: ok 2360 266: ok 2361 266: ok 2362 266: ok 2363 266: ok 2364 266: ok 2365 266: ok 2366 266: ok 2367 266: ok 2368 266: ok 2369 266: ok 2370 266: ok 2371 266: ok 2372 266: ok 2373 266: ok 2374 266: ok 2375 266: ok 2376 266: ok 2377 266: ok 2378 266: ok 2379 266: ok 2380 266: ok 2381 266: ok 2382 266: ok 2383 266: ok 2384 266: ok 2385 266: ok 2386 266: ok 2387 266: ok 2388 266: ok 2389 266: ok 2390 266: ok 2391 266: ok 2392 266: ok 2393 266: ok 2394 266: ok 2395 266: ok 2396 266: ok 2397 266: ok 2398 266: ok 2399 266: ok 2400 266: ok 2401 266: ok 2402 266: ok 2403 266: ok 2404 266: ok 2405 266: ok 2406 266: ok 2407 266: ok 2408 266: ok 2409 266: ok 2410 266: ok 2411 266: ok 2412 266: ok 2413 266: ok 2414 266: ok 2415 266: ok 2416 266: ok 2417 266: ok 2418 266: ok 2419 266: ok 2420 266: ok 2421 266: ok 2422 266: ok 2423 266: ok 2424 266: ok 2425 266: ok 2426 266: ok 2427 266: ok 2428 266: ok 2429 266: ok 2430 266: ok 2431 266: ok 2432 266: ok 2433 266: ok 2434 266: ok 2435 266: ok 2436 266: ok 2437 266: ok 2438 266: ok 2439 266: ok 2440 266: ok 2441 266: ok 2442 266: ok 2443 266: ok 2444 266: ok 2445 266: ok 2446 266: ok 2447 266: ok 2448 266: ok 2449 266: ok 2450 266: ok 2451 266: ok 2452 266: ok 2453 266: ok 2454 266: ok 2455 266: ok 2456 266: ok 2457 266: ok 2458 266: ok 2459 266: ok 2460 266: ok 2461 266: ok 2462 266: ok 2463 266: ok 2464 266: ok 2465 266: ok 2466 266: ok 2467 266: ok 2468 266: ok 2469 266: ok 2470 266: ok 2471 266: ok 2472 266: ok 2473 266: ok 2474 266: ok 2475 266: ok 2476 266: ok 2477 266: ok 2478 266: ok 2479 266: ok 2480 266: ok 2481 266: ok 2482 266: ok 2483 266: ok 2484 266: ok 2485 266: ok 2486 266: ok 2487 266: ok 2488 266: ok 2489 266: ok 2490 266: ok 2491 266: ok 2492 266: ok 2493 266: ok 2494 266: ok 2495 266: ok 2496 266: ok 2497 266: ok 2498 266: ok 2499 266: ok 2500 266: ok 2501 266: ok 2502 266: ok 2503 266: ok 2504 266: ok 2505 266: ok 2506 266: ok 2507 266: ok 2508 266: ok 2509 266: ok 2510 266: ok 2511 266: ok 2512 266: ok 2513 266: ok 2514 266: ok 2515 266: ok 2516 266: ok 2517 266: ok 2518 266: ok 2519 266: ok 2520 266: ok 2521 266: ok 2522 266: ok 2523 266: ok 2524 266: ok 2525 266: ok 2526 266: ok 2527 266: ok 2528 266: ok 2529 266: ok 2530 266: ok 2531 266: ok 2532 266: ok 2533 266: ok 2534 266: ok 2535 266: ok 2536 266: ok 2537 266: ok 2538 266: ok 2539 266: ok 2540 266: ok 2541 266: ok 2542 266: ok 2543 266: ok 2544 266: ok 2545 266: ok 2546 266: ok 2547 266: ok 2548 266: ok 2549 266: ok 2550 266: ok 2551 266: ok 2552 266: ok 2553 266: ok 2554 266: ok 2555 266: ok 2556 266: ok 2557 266: ok 2558 266: ok 2559 266: ok 2560 266: ok 2561 266: ok 2562 266: ok 2563 266: ok 2564 266: ok 2565 266: ok 2566 266: ok 2567 266: ok 2568 266: ok 2569 266: ok 2570 266: ok 2571 266: ok 2572 266: ok 2573 266: ok 2574 266: ok 2575 266: ok 2576 266: ok 2577 266: ok 2578 266: ok 2579 266: ok 2580 266: ok 2581 266: ok 2582 266: ok 2583 266: ok 2584 266: ok 2585 266: ok 2586 266: ok 2587 266: ok 2588 266: ok 2589 266: ok 2590 266: ok 2591 266: ok 2592 266: ok 2593 266: ok 2594 266: ok 2595 266: ok 2596 266: ok 2597 266: ok 2598 266: ok 2599 266: ok 2600 266: ok 2601 266: ok 2602 266: ok 2603 266: ok 2604 266: ok 2605 266: ok 2606 266: ok 2607 266: ok 2608 266: ok 2609 266: ok 2610 266: ok 2611 266: ok 2612 266: ok 2613 266: ok 2614 266: ok 2615 266: ok 2616 266: ok 2617 266: ok 2618 266: ok 2619 266: ok 2620 266: ok 2621 266: ok 2622 266: ok 2623 266: ok 2624 266: ok 2625 266: ok 2626 266: ok 2627 266: ok 2628 266: ok 2629 266: ok 2630 266: ok 2631 266: ok 2632 266: ok 2633 266: ok 2634 266: ok 2635 266: ok 2636 266: ok 2637 266: ok 2638 266: ok 2639 266: ok 2640 266: ok 2641 266: ok 2642 266: ok 2643 266: ok 2644 266: ok 2645 266: ok 2646 266: ok 2647 266: ok 2648 266: ok 2649 266: ok 2650 266: ok 2651 266: ok 2652 266: ok 2653 266: ok 2654 266: ok 2655 266: ok 2656 266: ok 2657 266: ok 2658 266: ok 2659 266: ok 2660 266: ok 2661 266: ok 2662 266: ok 2663 266: ok 2664 266: ok 2665 266: ok 2666 266: ok 2667 266: ok 2668 266: ok 2669 266: ok 2670 266: ok 2671 266: ok 2672 266: ok 2673 266: ok 2674 266: ok 2675 266: ok 2676 266: ok 2677 266: ok 2678 266: ok 2679 266: ok 2680 266: ok 2681 266: ok 2682 266: ok 2683 266: ok 2684 266: ok 2685 266: ok 2686 266: ok 2687 266: ok 2688 266: ok 2689 266: ok 2690 266: ok 2691 266: ok 2692 266: ok 2693 266: ok 2694 266: ok 2695 266: ok 2696 266: ok 2697 266: ok 2698 266: ok 2699 266: ok 2700 266: ok 2701 266: ok 2702 266: ok 2703 266: ok 2704 266: ok 2705 266: ok 2706 266: ok 2707 266: ok 2708 266: ok 2709 266: ok 2710 266: ok 2711 266: ok 2712 266: ok 2713 266: ok 2714 266: ok 2715 266: ok 2716 266: ok 2717 266: ok 2718 266: ok 2719 266: ok 2720 266: ok 2721 266: ok 2722 266: ok 2723 266: ok 2724 266: ok 2725 266: ok 2726 266: ok 2727 266: ok 2728 266: ok 2729 266: ok 2730 266: ok 2731 266: ok 2732 266: ok 2733 266: ok 2734 266: ok 2735 266: ok 2736 266: ok 2737 266: ok 2738 266: ok 2739 266: ok 2740 266: ok 2741 266: ok 2742 266: ok 2743 266: ok 2744 266: ok 2745 266: ok 2746 266: ok 2747 266: ok 2748 266: ok 2749 266: ok 2750 266: ok 2751 266: ok 2752 266: ok 2753 266: ok 2754 266: ok 2755 266: ok 2756 266: ok 2757 266: ok 2758 266: ok 2759 266: ok 2760 266: ok 2761 266: ok 2762 266: ok 2763 266: ok 2764 266: ok 2765 266: ok 2766 266: ok 2767 266: ok 2768 266: ok 2769 266: ok 2770 266: ok 2771 266: ok 2772 266: ok 2773 266: ok 2774 266: ok 2775 266: ok 2776 266: ok 2777 266: ok 2778 266: ok 2779 266: ok 2780 266: ok 2781 266: ok 2782 266: ok 2783 266: ok 2784 266: ok 2785 266: ok 2786 266: ok 2787 266: ok 2788 266: ok 2789 266: ok 2790 266: ok 2791 266: ok 2792 266: ok 2793 266: ok 2794 266: ok 2795 266: ok 2796 266: ok 2797 266: ok 2798 266: ok 2799 266: ok 2800 266: ok 2801 266: ok 2802 266: ok 2803 266: ok 2804 266: ok 2805 266: ok 2806 266: ok 2807 266: ok 2808 266: ok 2809 266: ok 2810 266: ok 2811 266: ok 2812 266: ok 2813 266: ok 2814 266: ok 2815 266: ok 2816 266: ok 2817 266: ok 2818 266: ok 2819 266: ok 2820 266: ok 2821 266: ok 2822 266: ok 2823 266: ok 2824 266: ok 2825 266: ok 2826 266: ok 2827 266: ok 2828 266: ok 2829 266: ok 2830 266: ok 2831 266: ok 2832 266: ok 2833 266: ok 2834 266: ok 2835 266: ok 2836 266: ok 2837 266: ok 2838 266: ok 2839 266: ok 2840 266: ok 2841 266: ok 2842 266: ok 2843 266: ok 2844 266: ok 2845 266: ok 2846 266: ok 2847 266: ok 2848 266: ok 2849 266: ok 2850 266: ok 2851 266: ok 2852 266: ok 2853 266: ok 2854 266: ok 2855 266: ok 2856 266: ok 2857 266: ok 2858 266: ok 2859 266: ok 2860 266: ok 2861 266: ok 2862 266: ok 2863 266: ok 2864 266: ok 2865 266: ok 2866 266: ok 2867 266: ok 2868 266: ok 2869 266: ok 2870 266: ok 2871 266: ok 2872 266: ok 2873 266: ok 2874 266: ok 2875 266: ok 2876 266: ok 2877 266: ok 2878 266: ok 2879 266: ok 2880 266: ok 2881 266: ok 2882 266: ok 2883 266: ok 2884 266: ok 2885 266: ok 2886 266: ok 2887 266: ok 2888 266: ok 2889 266: ok 2890 266: ok 2891 266: ok 2892 266: ok 2893 266: ok 2894 266: ok 2895 266: ok 2896 266: ok 2897 266: ok 2898 266: ok 2899 266: ok 2900 266: ok 2901 266: ok 2902 266: ok 2903 266: ok 2904 266: ok 2905 266: ok 2906 266: ok 2907 266: ok 2908 266: ok 2909 266: ok 2910 266: ok 2911 266: ok 2912 266: ok 2913 266: ok 2914 266: ok 2915 266: ok 2916 266: ok 2917 266: ok 2918 266: ok 2919 266: ok 2920 266: ok 2921 266: ok 2922 266: ok 2923 266: ok 2924 266: ok 2925 266: ok 2926 266: ok 2927 266: ok 2928 266: ok 2929 266: ok 2930 266: ok 2931 266: ok 2932 266: ok 2933 266: ok 2934 266: ok 2935 266: ok 2936 266: ok 2937 266: ok 2938 266: ok 2939 266: ok 2940 266: ok 2941 266: ok 2942 266: ok 2943 266: ok 2944 266: ok 2945 266: ok 2946 266: ok 2947 266: ok 2948 266: ok 2949 266: ok 2950 266: ok 2951 266: ok 2952 266: ok 2953 266: ok 2954 266: ok 2955 266: ok 2956 266: ok 2957 266: ok 2958 266: ok 2959 266: ok 2960 266: ok 2961 266: ok 2962 266: ok 2963 266: ok 2964 266: ok 2965 266: ok 2966 266: ok 2967 266: ok 2968 266: ok 2969 266: ok 2970 266: ok 2971 266: ok 2972 266: ok 2973 266: ok 2974 266: ok 2975 266: ok 2976 266: ok 2977 266: ok 2978 266: ok 2979 266: ok 2980 266: ok 2981 266: ok 2982 266: ok 2983 266: ok 2984 266: ok 2985 266: ok 2986 266: ok 2987 266: ok 2988 266: ok 2989 266: ok 2990 266: ok 2991 266: ok 2992 266: ok 2993 266: ok 2994 266: ok 2995 266: ok 2996 266: ok 2997 266: ok 2998 266: ok 2999 266: ok 3000 266: ok 3001 266: ok 3002 266: ok 3003 266: ok 3004 266: ok 3005 266: ok 3006 266: ok 3007 266: ok 3008 266: ok 3009 266: ok 3010 266: ok 3011 266: ok 3012 266: ok 3013 266: ok 3014 266: ok 3015 266: ok 3016 266: ok 3017 266: ok 3018 266: ok 3019 266: ok 3020 266: ok 3021 266: ok 3022 266: ok 3023 266: ok 3024 266: ok 3025 266: ok 3026 266: ok 3027 266: ok 3028 266: ok 3029 266: ok 3030 266: ok 3031 266: ok 3032 266: ok 3033 266: ok 3034 266: ok 3035 266: ok 3036 266: ok 3037 266: ok 3038 266: ok 3039 266: ok 3040 266: ok 3041 266: ok 3042 266: ok 3043 266: ok 3044 266: ok 3045 266: ok 3046 266: ok 3047 266: ok 3048 266: ok 3049 266: ok 3050 266: ok 3051 266: ok 3052 266: ok 3053 266: ok 3054 266: ok 3055 266: ok 3056 266: ok 3057 266: ok 3058 266: ok 3059 266: ok 3060 266: ok 3061 266: ok 3062 266: ok 3063 266: ok 3064 266: ok 3065 266: ok 3066 266: ok 3067 266: ok 3068 266: ok 3069 266: ok 3070 266: ok 3071 266: ok 3072 266: ok 3073 266: ok 3074 266: ok 3075 266: ok 3076 266: ok 3077 266: ok 3078 266: ok 3079 266: ok 3080 266: ok 3081 266: ok 3082 266: ok 3083 266: ok 3084 266: ok 3085 266: ok 3086 266: ok 3087 266: ok 3088 266: ok 3089 266: ok 3090 266: ok 3091 266: ok 3092 266: ok 3093 266: ok 3094 266: ok 3095 266: ok 3096 266: ok 3097 266: ok 3098 266: ok 3099 266: ok 3100 266: ok 3101 266: ok 3102 266: ok 3103 266: ok 3104 266: ok 3105 266: ok 3106 266: ok 3107 266: ok 3108 266: ok 3109 266: ok 3110 266: ok 3111 266: ok 3112 266: ok 3113 266: ok 3114 266: ok 3115 266: ok 3116 266: ok 3117 266: ok 3118 266: ok 3119 266: ok 3120 266: ok 3121 266: ok 3122 266: ok 3123 266: ok 3124 266: ok 3125 266: ok 3126 266: ok 3127 266: ok 3128 266: ok 3129 266: ok 3130 266: ok 3131 266: ok 3132 266: ok 3133 266: ok 3134 266: ok 3135 266: ok 3136 266: ok 3137 266: ok 3138 266: ok 3139 266: ok 3140 266: ok 3141 266: ok 3142 266: ok 3143 266: ok 3144 266: ok 3145 266: ok 3146 266: ok 3147 266: ok 3148 266: ok 3149 266: ok 3150 266: ok 3151 266: ok 3152 266: ok 3153 266: ok 3154 266: ok 3155 266: ok 3156 266: ok 3157 266: ok 3158 266: ok 3159 266: ok 3160 266: ok 3161 266: ok 3162 266: ok 3163 266: ok 3164 266: ok 3165 266: ok 3166 266: ok 3167 266: ok 3168 266: ok 3169 266: ok 3170 266: ok 3171 266: ok 3172 266: ok 3173 266: ok 3174 266: ok 3175 266: ok 3176 266: ok 3177 266: ok 3178 266: ok 3179 266: ok 3180 266: ok 3181 266: ok 3182 266: ok 3183 266: ok 3184 266: ok 3185 266: ok 3186 266: ok 3187 266: ok 3188 266: ok 3189 266: ok 3190 266: ok 3191 266: ok 3192 266: ok 3193 266: ok 3194 266: ok 3195 266: ok 3196 266: ok 3197 266: ok 3198 266: ok 3199 266: ok 3200 266: ok 3201 266: ok 3202 266: ok 3203 266: ok 3204 266: ok 3205 266: ok 3206 266: ok 3207 266: ok 3208 266: ok 3209 266: ok 3210 266: ok 3211 266: ok 3212 266: ok 3213 266: ok 3214 266: ok 3215 266: ok 3216 266: ok 3217 266: ok 3218 266: ok 3219 266: ok 3220 266: ok 3221 266: ok 3222 266: ok 3223 266: ok 3224 266: ok 3225 266: ok 3226 266: ok 3227 266: ok 3228 266: ok 3229 266: ok 3230 266: ok 3231 266: ok 3232 266: ok 3233 266: ok 3234 266: ok 3235 266: ok 3236 266: ok 3237 266: ok 3238 266: ok 3239 266: ok 3240 266: ok 3241 266: ok 3242 266: ok 3243 266: ok 3244 266: ok 3245 266: ok 3246 266: ok 3247 266: ok 3248 266: ok 3249 266: ok 3250 266: ok 3251 266: ok 3252 266: ok 3253 266: ok 3254 266: ok 3255 266: ok 3256 266: ok 3257 266: ok 3258 266: ok 3259 266: ok 3260 266: ok 3261 266: ok 3262 266: ok 3263 266: ok 3264 266: ok 3265 266: ok 3266 266: ok 3267 266: ok 3268 266: ok 3269 266: ok 3270 266: ok 3271 266: ok 3272 266: ok 3273 266: ok 3274 266: ok 3275 266: ok 3276 266: ok 3277 266: ok 3278 266: ok 3279 266: ok 3280 266: ok 3281 266: ok 3282 266: ok 3283 266: ok 3284 266: ok 3285 266: ok 3286 266: ok 3287 266: ok 3288 266: ok 3289 266: ok 3290 266: ok 3291 266: ok 3292 266: ok 3293 266: ok 3294 266: ok 3295 266: ok 3296 266: ok 3297 266: ok 3298 266: ok 3299 266: ok 3300 266: ok 3301 266: ok 3302 266: ok 3303 266: ok 3304 266: ok 3305 266: ok 3306 266: ok 3307 266: ok 3308 266: ok 3309 266: ok 3310 266: ok 3311 266: ok 3312 266: ok 3313 266: ok 3314 266: ok 3315 266: ok 3316 266: ok 3317 266: ok 3318 266: ok 3319 266: ok 3320 266: ok 3321 266: ok 3322 266: ok 3323 266: ok 3324 266: ok 3325 266: ok 3326 266: ok 3327 266: ok 3328 266: ok 3329 266: ok 3330 266: ok 3331 266: ok 3332 266: ok 3333 266: ok 3334 266: ok 3335 266: ok 3336 266: ok 3337 266: ok 3338 266: ok 3339 266: ok 3340 266: ok 3341 266: ok 3342 266: ok 3343 266: ok 3344 266: ok 3345 266: ok 3346 266: ok 3347 266: ok 3348 266: ok 3349 266: ok 3350 266: ok 3351 266: ok 3352 266: ok 3353 266: ok 3354 266: ok 3355 266: ok 3356 266: ok 3357 266: ok 3358 266: ok 3359 266: ok 3360 266: ok 3361 266: ok 3362 266: ok 3363 266: ok 3364 266: ok 3365 266: ok 3366 266: ok 3367 266: ok 3368 266: ok 3369 266: ok 3370 266: ok 3371 266: ok 3372 266: ok 3373 266: ok 3374 266: ok 3375 266: ok 3376 266: ok 3377 266: ok 3378 266: ok 3379 266: ok 3380 266: ok 3381 266: ok 3382 266: ok 3383 266: ok 3384 266: ok 3385 266: ok 3386 266: ok 3387 266: ok 3388 266: ok 3389 266: ok 3390 266: ok 3391 266: ok 3392 266: ok 3393 266: ok 3394 266: ok 3395 266: ok 3396 266: ok 3397 266: ok 3398 266: ok 3399 266: ok 3400 266: ok 3401 266: ok 3402 266: ok 3403 266: ok 3404 266: ok 3405 266: ok 3406 266: ok 3407 266: ok 3408 266: ok 3409 266: ok 3410 266: ok 3411 266: ok 3412 266: ok 3413 266: ok 3414 266: ok 3415 266: ok 3416 266: ok 3417 266: ok 3418 266: ok 3419 266: ok 3420 266: ok 3421 266: ok 3422 266: ok 3423 266: ok 3424 266: ok 3425 266: ok 3426 266: ok 3427 266: ok 3428 266: ok 3429 266: ok 3430 266: ok 3431 266: ok 3432 266: ok 3433 266: ok 3434 266: ok 3435 266: ok 3436 266: ok 3437 266: ok 3438 266: ok 3439 266: ok 3440 266: ok 3441 266: ok 3442 266: ok 3443 266: ok 3444 266: ok 3445 266: ok 3446 266: ok 3447 266: ok 3448 266: ok 3449 266: ok 3450 266: ok 3451 266: ok 3452 266: ok 3453 266: ok 3454 266: ok 3455 266: ok 3456 266: ok 3457 266: ok 3458 266: ok 3459 266: ok 3460 266: ok 3461 266: ok 3462 266: ok 3463 266: ok 3464 266: ok 3465 266: ok 3466 266: ok 3467 266: ok 3468 266: ok 3469 266: ok 3470 266: ok 3471 266: ok 3472 266: ok 3473 266: ok 3474 266: ok 3475 266: ok 3476 266: ok 3477 266: ok 3478 266: ok 3479 266: ok 3480 266: ok 3481 266: ok 3482 266: ok 3483 266: ok 3484 266: ok 3485 266: ok 3486 266: ok 3487 266: ok 3488 266: ok 3489 266: ok 3490 266: ok 3491 266: ok 3492 266: ok 3493 266: ok 3494 266: ok 3495 266: ok 3496 266: ok 3497 266: ok 3498 266: ok 3499 266: ok 3500 266: ok 3501 266: ok 3502 266: ok 3503 266: ok 3504 266: ok 3505 266: ok 3506 266: ok 3507 266: ok 3508 266: ok 3509 266: ok 3510 266: ok 3511 266: ok 3512 266: ok 3513 266: ok 3514 266: ok 3515 266: ok 3516 266: ok 3517 266: ok 3518 266: ok 3519 266: ok 3520 266: ok 3521 266: ok 3522 266: ok 3523 266: ok 3524 266: ok 3525 266: ok 3526 266: ok 3527 266: ok 3528 266: ok 3529 266: ok 3530 266: ok 3531 266: ok 3532 266: ok 3533 266: ok 3534 266: ok 3535 266: ok 3536 266: ok 3537 266: ok 3538 266: ok 3539 266: ok 3540 266: ok 3541 266: ok 3542 266: ok 3543 266: ok 3544 266: ok 3545 266: ok 3546 266: ok 3547 266: ok 3548 266: ok 3549 266: ok 3550 266: ok 3551 266: ok 3552 266: ok 3553 266: ok 3554 266: ok 3555 266: ok 3556 266: ok 3557 266: ok 3558 266: ok 3559 266: ok 3560 266: ok 3561 266: ok 3562 266: ok 3563 266: ok 3564 266: ok 3565 266: ok 3566 266: ok 3567 266: ok 3568 266: ok 3569 266: ok 3570 266: ok 3571 266: ok 3572 266: ok 3573 266: ok 3574 266: ok 3575 266: ok 3576 266: ok 3577 266: ok 3578 266: ok 3579 266: ok 3580 266: ok 3581 266: ok 3582 266: ok 3583 266: ok 3584 266: ok 3585 266: ok 3586 266: ok 3587 266: ok 3588 266: ok 3589 266: ok 3590 266: ok 3591 266: ok 3592 266: ok 3593 266: ok 3594 266: ok 3595 266: ok 3596 266: ok 3597 266: ok 3598 266: ok 3599 266: ok 3600 266: ok 3601 266: ok 3602 266: ok 3603 266: ok 3604 266: ok 3605 266: ok 3606 266: ok 3607 266: ok 3608 266: ok 3609 266: ok 3610 266: ok 3611 266: ok 3612 266: ok 3613 266: ok 3614 266: ok 3615 266: ok 3616 266: ok 3617 266: ok 3618 266: ok 3619 266: ok 3620 266: ok 3621 266: ok 3622 266: ok 3623 266: ok 3624 266: ok 3625 266: ok 3626 266: ok 3627 266: ok 3628 266: ok 3629 266: ok 3630 266: ok 3631 266: ok 3632 266: ok 3633 266: ok 3634 266: ok 3635 266: ok 3636 266: ok 3637 266: ok 3638 266: ok 3639 266: ok 3640 266: ok 3641 266: ok 3642 266: ok 3643 266: ok 3644 266: ok 3645 266: ok 3646 266: ok 3647 266: ok 3648 266: ok 3649 266: ok 3650 266: ok 3651 266: ok 3652 266: ok 3653 266: ok 3654 266: ok 3655 266: ok 3656 266: ok 3657 266: ok 3658 266: ok 3659 266: ok 3660 266: ok 3661 266: ok 3662 266: ok 3663 266: ok 3664 266: ok 3665 266: ok 3666 266: ok 3667 266: ok 3668 266: ok 3669 266: ok 3670 266: ok 3671 266: ok 3672 266: ok 3673 266: ok 3674 266: ok 3675 266: ok 3676 266: ok 3677 266: ok 3678 266: ok 3679 266: ok 3680 266: ok 3681 266: ok 3682 266: ok 3683 266: ok 3684 266: ok 3685 266: ok 3686 266: ok 3687 266: ok 3688 266: ok 3689 266: ok 3690 266: ok 3691 266: ok 3692 266: ok 3693 266: ok 3694 266: ok 3695 266: ok 3696 266: ok 3697 266: ok 3698 266: ok 3699 266: ok 3700 266: ok 3701 266: ok 3702 266: ok 3703 266: ok 3704 266: ok 3705 266: ok 3706 266: ok 3707 266: ok 3708 266: ok 3709 266: ok 3710 266: ok 3711 266: ok 3712 266: ok 3713 266: ok 3714 266: ok 3715 266: ok 3716 266: ok 3717 266: ok 3718 266: ok 3719 266: ok 3720 266: ok 3721 266: ok 3722 266: ok 3723 266: ok 3724 266: ok 3725 266: ok 3726 266: ok 3727 266: ok 3728 266: ok 3729 266: ok 3730 266: ok 3731 266: ok 3732 266: ok 3733 266: ok 3734 266: ok 3735 266: ok 3736 266: ok 3737 266: ok 3738 266: ok 3739 266: ok 3740 266: ok 3741 266: ok 3742 266: ok 3743 266: ok 3744 266: ok 3745 266: ok 3746 266: ok 3747 266: ok 3748 266: ok 3749 266: ok 3750 266: ok 3751 266: ok 3752 266: ok 3753 266: ok 3754 266: ok 3755 266: ok 3756 266: ok 3757 266: ok 3758 266: ok 3759 266: ok 3760 266: ok 3761 266: ok 3762 266: ok 3763 266: ok 3764 266: ok 3765 266: ok 3766 266: ok 3767 266: ok 3768 266: ok 3769 266: ok 3770 266: ok 3771 266: ok 3772 266: ok 3773 266: ok 3774 266: ok 3775 266: ok 3776 266: ok 3777 266: ok 3778 266: ok 3779 266: ok 3780 266: ok 3781 266: ok 3782 266: ok 3783 266: ok 3784 266: ok 3785 266: ok 3786 266: ok 3787 266: ok 3788 266: ok 3789 266: ok 3790 266: ok 3791 266: ok 3792 266: ok 3793 266: ok 3794 266: ok 3795 266: ok 3796 266: ok 3797 266: ok 3798 266: ok 3799 266: ok 3800 266: ok 3801 266: ok 3802 266: ok 3803 266: ok 3804 266: ok 3805 266: ok 3806 266: ok 3807 266: ok 3808 266: ok 3809 266: ok 3810 266: ok 3811 266: ok 3812 266: ok 3813 266: ok 3814 266: ok 3815 266: ok 3816 266: ok 3817 266: ok 3818 266: ok 3819 266: ok 3820 266: ok 3821 266: ok 3822 266: ok 3823 266: ok 3824 266: ok 3825 266: ok 3826 266: ok 3827 266: ok 3828 266: ok 3829 266: ok 3830 266: ok 3831 266: ok 3832 266: ok 3833 266: ok 3834 266: ok 3835 266: ok 3836 266: ok 3837 266: ok 3838 266: ok 3839 266: ok 3840 266: ok 3841 266: ok 3842 266: ok 3843 266: ok 3844 266: ok 3845 266: ok 3846 266: ok 3847 266: ok 3848 266: ok 3849 266: ok 3850 266: ok 3851 266: ok 3852 266: ok 3853 266: ok 3854 266: ok 3855 266: ok 3856 266: ok 3857 266: ok 3858 266: ok 3859 266: ok 3860 266: ok 3861 266: ok 3862 266: ok 3863 266: ok 3864 266: ok 3865 266: ok 3866 266: ok 3867 266: ok 3868 266: ok 3869 266: ok 3870 266: ok 3871 266: ok 3872 266: ok 3873 266: ok 3874 266: ok 3875 266: ok 3876 266: ok 3877 266: ok 3878 266: ok 3879 266: ok 3880 266: ok 3881 266: ok 3882 266: ok 3883 266: ok 3884 266: ok 3885 266: ok 3886 266: ok 3887 266: ok 3888 266: ok 3889 266: ok 3890 266: ok 3891 266: ok 3892 266: ok 3893 266: ok 3894 266: ok 3895 266: ok 3896 266: ok 3897 266: ok 3898 266: ok 3899 266: ok 3900 266: ok 3901 266: ok 3902 266: ok 3903 266: ok 3904 266: ok 3905 266: ok 3906 266: ok 3907 266: ok 3908 266: ok 3909 266: ok 3910 266: ok 3911 266: ok 3912 266: ok 3913 266: ok 3914 266: ok 3915 266: ok 3916 266: ok 3917 266: ok 3918 266: ok 3919 266: ok 3920 266: ok 3921 266: ok 3922 266: ok 3923 266: ok 3924 266: ok 3925 266: ok 3926 266: ok 3927 266: ok 3928 266: ok 3929 266: ok 3930 266: ok 3931 266: ok 3932 266: ok 3933 266: ok 3934 266: ok 3935 266: ok 3936 266: ok 3937 266: ok 3938 266: ok 3939 266: ok 3940 266: ok 3941 266: ok 3942 266: ok 3943 266: ok 3944 266: ok 3945 266: ok 3946 266: ok 3947 266: ok 3948 266: ok 3949 266: ok 3950 266: ok 3951 266: ok 3952 266: ok 3953 266: ok 3954 266: ok 3955 266: ok 3956 266: ok 3957 266: ok 3958 266: ok 3959 266: ok 3960 266: ok 3961 266: ok 3962 266: ok 3963 266: ok 3964 266: ok 3965 266: ok 3966 266: ok 3967 266: ok 3968 266: ok 3969 266: ok 3970 266: ok 3971 266: ok 3972 266: ok 3973 266: ok 3974 266: ok 3975 266: ok 3976 266: ok 3977 266: ok 3978 266: ok 3979 266: ok 3980 266: ok 3981 266: ok 3982 266: ok 3983 266: ok 3984 266: ok 3985 266: ok 3986 266: ok 3987 266: ok 3988 266: ok 3989 266: ok 3990 266: ok 3991 266: ok 3992 266: ok 3993 266: ok 3994 266: ok 3995 266: ok 3996 266: ok 3997 266: ok 3998 266: ok 3999 266: ok 4000 266: ok 4001 266: ok 4002 266: ok 4003 266: ok 4004 266: ok 4005 266: ok 4006 266: ok 4007 266: ok 4008 266: ok 4009 266: ok 4010 266: ok 4011 266: ok 4012 266: ok 4013 266: ok 4014 266: ok 4015 266: ok 4016 266: ok 4017 266: ok 4018 266: ok 4019 266: ok 4020 266: ok 4021 266: ok 4022 266: ok 4023 266: ok 4024 266: ok 4025 266: ok 4026 266: ok 4027 266: ok 4028 266: ok 4029 266: ok 4030 266: ok 4031 266: ok 4032 266: ok 4033 266: ok 4034 266: ok 4035 266: ok 4036 266: ok 4037 266: ok 4038 266: ok 4039 266: ok 4040 266: ok 4041 266: ok 4042 266: ok 4043 266: ok 4044 266: ok 4045 266: ok 4046 266: ok 4047 266: ok 4048 266: ok 4049 266: ok 4050 266: ok 4051 266: ok 4052 266: ok 4053 266: ok 4054 266: ok 4055 266: ok 4056 266: ok 4057 266: ok 4058 266: ok 4059 266: ok 4060 266: ok 4061 266: ok 4062 266: ok 4063 266: ok 4064 266: ok 4065 266: ok 4066 266: ok 4067 266: ok 4068 266: ok 4069 266: ok 4070 266: ok 4071 266: ok 4072 266: ok 4073 266: ok 4074 266: ok 4075 266: ok 4076 266: ok 4077 266: ok 4078 266: ok 4079 266: ok 4080 266: ok 4081 266: ok 4082 266: ok 4083 266: ok 4084 266: ok 4085 266: ok 4086 266: ok 4087 266: ok 4088 266: ok 4089 266: ok 4090 266: ok 4091 266: ok 4092 266: ok 4093 266: ok 4094 266: ok 4095 266: ok 4096 266: ok 4097 266: ok 4098 266: ok 4099 266: ok 4100 266: ok 4101 266: ok 4102 266: ok 4103 266: ok 4104 266: ok 4105 266: ok 4106 266: ok 4107 266: ok 4108 266: ok 4109 266: ok 4110 266: ok 4111 266: ok 4112 266: ok 4113 266: ok 4114 266: ok 4115 266: ok 4116 266: ok 4117 266: ok 4118 266: ok 4119 266: ok 4120 266: ok 4121 266: ok 4122 266: ok 4123 266: ok 4124 266: ok 4125 266: ok 4126 266: ok 4127 266: ok 4128 266: ok 4129 266: ok 4130 266: ok 4131 266: ok 4132 266: ok 4133 266: ok 4134 266: ok 4135 266: ok 4136 266: ok 4137 266: ok 4138 266: ok 4139 266: ok 4140 266: ok 4141 266: ok 4142 266: ok 4143 266: ok 4144 266: ok 4145 266: ok 4146 266: ok 4147 266: ok 4148 266: ok 4149 266: ok 4150 266: ok 4151 266: ok 4152 266: ok 4153 266: ok 4154 266: ok 4155 266: ok 4156 266: ok 4157 266: ok 4158 266: ok 4159 266: ok 4160 266: ok 4161 266: ok 4162 266: ok 4163 266: ok 4164 266: ok 4165 266: ok 4166 266: ok 4167 266: ok 4168 266: ok 4169 266: ok 4170 266: ok 4171 266: ok 4172 266: ok 4173 266: ok 4174 266: ok 4175 266: ok 4176 266: ok 4177 266: ok 4178 266: ok 4179 266: ok 4180 266: ok 4181 266: ok 4182 266: ok 4183 266: ok 4184 266: ok 4185 266: ok 4186 266: ok 4187 266: ok 4188 266: ok 4189 266: ok 4190 266: ok 4191 266: ok 4192 266: ok 4193 266: ok 4194 266: ok 4195 266: ok 4196 266: ok 4197 266: ok 4198 266: ok 4199 266: ok 4200 266: ok 4201 266: ok 4202 266: ok 4203 266: ok 4204 266: ok 4205 266: ok 4206 266: ok 4207 266: ok 4208 266: ok 4209 266: ok 4210 266: ok 4211 266: ok 4212 266: ok 4213 266: ok 4214 266: ok 4215 266: ok 4216 266: ok 4217 266: ok 4218 266: ok 4219 266: ok 4220 266: ok 4221 266: ok 4222 266: ok 4223 266: ok 4224 266: ok 4225 266: ok 4226 266: ok 4227 266: ok 4228 266: ok 4229 266: ok 4230 266: ok 4231 266: ok 4232 266: ok 4233 266: ok 4234 266: ok 4235 266: ok 4236 266: ok 4237 266: ok 4238 266: ok 4239 266: ok 4240 266: ok 4241 266: ok 4242 266: ok 4243 266: ok 4244 266: ok 4245 266: ok 4246 266: ok 4247 266: ok 4248 266: ok 4249 266: ok 4250 266: ok 4251 266: ok 4252 266: ok 4253 266: ok 4254 266: ok 4255 266: ok 4256 266: ok 4257 266: ok 4258 266: ok 4259 266: ok 4260 266: ok 4261 266: ok 4262 266: ok 4263 266: ok 4264 266: ok 4265 266: ok 4266 266: ok 4267 266: ok 4268 266: ok 4269 266: ok 4270 266: ok 4271 266: ok 4272 266: ok 4273 266: ok 4274 266: ok 4275 266: ok 4276 266: ok 4277 266: ok 4278 266: ok 4279 266: ok 4280 266: ok 4281 266: ok 4282 266: ok 4283 266: ok 4284 266: ok 4285 266: ok 4286 266: ok 4287 266: ok 4288 266: ok 4289 266: ok 4290 266: ok 4291 266: ok 4292 266: ok 4293 266: ok 4294 266: ok 4295 266: ok 4296 266: ok 4297 266: ok 4298 266: ok 4299 266: ok 4300 266: ok 4301 266: ok 4302 266: ok 4303 266: ok 4304 266: ok 4305 266: ok 4306 266: ok 4307 266: ok 4308 266: ok 4309 266: ok 4310 266: ok 4311 266: ok 4312 266: ok 4313 266: ok 4314 266: ok 4315 266: ok 4316 266: ok 4317 266: ok 4318 266: ok 4319 266: ok 4320 266: ok 4321 266: ok 4322 266: ok 4323 266: ok 4324 266: ok 4325 266: ok 4326 266: ok 4327 266: ok 4328 266: ok 4329 266: ok 4330 266: ok 4331 266: ok 4332 266: ok 4333 266: ok 4334 266: ok 4335 266: ok 4336 266: ok 4337 266: ok 4338 266: ok 4339 266: ok 4340 266: ok 4341 266: ok 4342 266: ok 4343 266: ok 4344 266: ok 4345 266: ok 4346 266: ok 4347 266: ok 4348 266: ok 4349 266: ok 4350 266: ok 4351 266: ok 4352 266: ok 4353 266: ok 4354 266: ok 4355 266: ok 4356 266: ok 4357 266: ok 4358 266: ok 4359 266: ok 4360 266: ok 4361 266: ok 4362 266: ok 4363 266: ok 4364 266: ok 4365 266: ok 4366 266: ok 4367 266: ok 4368 266: ok 4369 266: ok 4370 266: ok 4371 266: ok 4372 266: ok 4373 266: ok 4374 266: ok 4375 266: ok 4376 266: ok 4377 266: ok 4378 266: ok 4379 266: ok 4380 266: ok 4381 266: ok 4382 266: ok 4383 266: ok 4384 266: ok 4385 266: ok 4386 266: ok 4387 266: ok 4388 266: ok 4389 266: ok 4390 266: ok 4391 266: ok 4392 266: ok 4393 266: ok 4394 266: ok 4395 266: ok 4396 266: ok 4397 266: ok 4398 266: ok 4399 266: ok 4400 266: ok 4401 266: ok 4402 266: ok 4403 266: ok 4404 266: ok 4405 266: ok 4406 266: ok 4407 266: ok 4408 266: ok 4409 266: ok 4410 266: ok 4411 266: ok 4412 266: ok 4413 266: ok 4414 266: ok 4415 266: ok 4416 266: ok 4417 266: ok 4418 266: ok 4419 266: ok 4420 266: ok 4421 266: ok 4422 266: ok 4423 266: ok 4424 266: ok 4425 266: ok 4426 266: ok 4427 266: ok 4428 266: ok 4429 266: ok 4430 266: ok 4431 266: ok 4432 266: ok 4433 266: ok 4434 266: ok 4435 266: ok 4436 266: ok 4437 266: ok 4438 266: ok 4439 266: ok 4440 266: ok 4441 266: ok 4442 266: ok 4443 266: ok 4444 266: ok 4445 266: ok 4446 266: ok 4447 266: ok 4448 266: ok 4449 266: ok 4450 266: ok 4451 266: ok 4452 266: ok 4453 266: ok 4454 266: ok 4455 266: ok 4456 266: ok 4457 266: ok 4458 266: ok 4459 266: ok 4460 266: ok 4461 266: ok 4462 266: ok 4463 266: ok 4464 266: ok 4465 266: ok 4466 266: ok 4467 266: ok 4468 266: ok 4469 266: ok 4470 266: ok 4471 266: ok 4472 266: ok 4473 266: ok 4474 266: ok 4475 266: ok 4476 266: ok 4477 266: ok 4478 266: ok 4479 266: ok 4480 266: ok 4481 266: ok 4482 266: ok 4483 266: ok 4484 266: ok 4485 266: ok 4486 266: ok 4487 266: ok 4488 266: ok 4489 266: ok 4490 266: ok 4491 266: ok 4492 266: ok 4493 266: ok 4494 266: ok 4495 266: ok 4496 266: ok 4497 266: ok 4498 266: ok 4499 266: ok 4500 266: ok 4501 266: ok 4502 266: ok 4503 266: ok 4504 266: ok 4505 266: ok 4506 266: ok 4507 266: ok 4508 266: ok 4509 266: ok 4510 266: ok 4511 266: ok 4512 266: ok 4513 266: ok 4514 266: ok 4515 266: ok 4516 266: ok 4517 266: ok 4518 266: ok 4519 266: ok 4520 266: ok 4521 266: ok 4522 266: ok 4523 266: ok 4524 266: ok 4525 266: ok 4526 266: ok 4527 266: ok 4528 266: ok 4529 266: ok 4530 266: ok 4531 266: ok 4532 266: ok 4533 266: ok 4534 266: ok 4535 266: ok 4536 266: ok 4537 266: ok 4538 266: ok 4539 266: ok 4540 266: ok 4541 266: ok 4542 266: ok 4543 266: ok 4544 266: ok 4545 266: ok 4546 266: ok 4547 266: ok 4548 266: ok 4549 266: ok 4550 266: ok 4551 266: ok 4552 266: ok 4553 266: ok 4554 266: ok 4555 266: ok 4556 266: ok 4557 266: ok 4558 266: ok 4559 266: ok 4560 266: ok 4561 266: ok 4562 266: ok 4563 266: ok 4564 266: ok 4565 266: ok 4566 266: ok 4567 266: ok 4568 266: ok 4569 266: ok 4570 266: ok 4571 266: ok 4572 266: ok 4573 266: ok 4574 266: ok 4575 266: ok 4576 266: ok 4577 266: ok 4578 266: ok 4579 266: ok 4580 266: ok 4581 266: ok 4582 266: ok 4583 266: ok 4584 266: ok 4585 266: ok 4586 266: ok 4587 266: ok 4588 266: ok 4589 266: ok 4590 266: ok 4591 266: ok 4592 266: ok 4593 266: ok 4594 266: ok 4595 266: ok 4596 266: ok 4597 266: ok 4598 266: ok 4599 266: ok 4600 266: ok 4601 266: ok 4602 266: ok 4603 266: ok 4604 266: ok 4605 266: ok 4606 266: ok 4607 266: ok 4608 266: ok 4609 266: ok 4610 266: ok 4611 266: ok 4612 266: ok 4613 266: ok 4614 266: ok 4615 266: ok 4616 266: ok 4617 266: ok 4618 266: ok 4619 266: ok 4620 266: ok 4621 266: ok 4622 266: ok 4623 266: ok 4624 266: ok 4625 266: ok 4626 266: ok 4627 266: ok 4628 266: ok 4629 266: ok 4630 266: ok 4631 266: ok 4632 266: ok 4633 266: ok 4634 266: ok 4635 266: ok 4636 266: ok 4637 266: ok 4638 266: ok 4639 266: ok 4640 266: ok 4641 266: ok 4642 266: ok 4643 266: ok 4644 266: ok 4645 266: ok 4646 266: ok 4647 266: ok 4648 266: ok 4649 266: ok 4650 266: ok 4651 266: ok 4652 266: ok 4653 266: ok 4654 266: ok 4655 266: ok 4656 266: ok 4657 266: ok 4658 266: ok 4659 266: ok 4660 266: ok 4661 266: ok 4662 266: ok 4663 266: ok 4664 266: ok 4665 266: ok 4666 266: ok 4667 266: ok 4668 266: ok 4669 266: ok 4670 266: ok 4671 266: ok 4672 266: ok 4673 266: ok 4674 266: ok 4675 266: ok 4676 266: ok 4677 266: ok 4678 266: ok 4679 266: ok 4680 266: ok 4681 266: ok 4682 266: ok 4683 266: ok 4684 266: ok 4685 266: ok 4686 266: ok 4687 266: ok 4688 266: ok 4689 266: ok 4690 266: ok 4691 266: ok 4692 266: ok 4693 266: ok 4694 266: ok 4695 266: ok 4696 266: ok 4697 266: ok 4698 266: ok 4699 266: ok 4700 266: ok 4701 266: ok 4702 266: ok 4703 266: ok 4704 266: ok 4705 266: ok 4706 266: ok 4707 266: ok 4708 266: ok 4709 266: ok 4710 266: ok 4711 266: ok 4712 266: ok 4713 266: ok 4714 266: ok 4715 266: ok 4716 266: ok 4717 266: ok 4718 266: ok 4719 266: ok 4720 266: ok 4721 266: ok 4722 266: ok 4723 266: ok 4724 266: ok 4725 266: ok 4726 266: ok 4727 266: ok 4728 266: ok 4729 266: ok 4730 266: ok 4731 266: ok 4732 266: ok 4733 266: ok 4734 266: ok 4735 266: ok 4736 266: ok 4737 266: ok 4738 266: ok 4739 266: ok 4740 266: ok 4741 266: ok 4742 266: ok 4743 266: ok 4744 266: ok 4745 266: ok 4746 266: ok 4747 266: ok 4748 266: ok 4749 266: ok 4750 266: ok 4751 266: ok 4752 266: ok 4753 266: ok 4754 266: ok 4755 266: ok 4756 266: ok 4757 266: ok 4758 266: ok 4759 266: ok 4760 266: ok 4761 266: ok 4762 266: ok 4763 266: ok 4764 266: ok 4765 266: ok 4766 266: ok 4767 266: ok 4768 266: ok 4769 266: ok 4770 266: ok 4771 266: ok 4772 266: ok 4773 266: ok 4774 266: ok 4775 266: ok 4776 266: ok 4777 266: ok 4778 266: ok 4779 266: ok 4780 266: ok 4781 266: ok 4782 266: ok 4783 266: ok 4784 266: ok 4785 266: ok 4786 266: ok 4787 266: ok 4788 266: ok 4789 266: ok 4790 266: ok 4791 266: ok 4792 266: ok 4793 266: ok 4794 266: ok 4795 266: ok 4796 266: ok 4797 266: ok 4798 266: ok 4799 266: ok 4800 266: ok 4801 266: ok 4802 266: ok 4803 266: ok 4804 266: ok 4805 266: ok 4806 266: ok 4807 266: ok 4808 266: ok 4809 266: ok 4810 266: ok 4811 266: ok 4812 266: ok 4813 266: ok 4814 266: ok 4815 266: ok 4816 266: ok 4817 266: ok 4818 266: ok 4819 266: ok 4820 266: ok 4821 266: ok 4822 266: ok 4823 266: ok 4824 266: ok 4825 266: ok 4826 266: ok 4827 266: ok 4828 266: ok 4829 266: ok 4830 266: ok 4831 266: ok 4832 266: ok 4833 266: ok 4834 266: ok 4835 266: ok 4836 266: ok 4837 266: ok 4838 266: ok 4839 266: ok 4840 266: ok 4841 266: ok 4842 266: ok 4843 266: ok 4844 266: ok 4845 266: ok 4846 266: ok 4847 266: ok 4848 266: ok 4849 266: ok 4850 266: ok 4851 266: ok 4852 266: ok 4853 266: ok 4854 266: ok 4855 266: ok 4856 266: ok 4857 266: ok 4858 266: ok 4859 266: ok 4860 266: ok 4861 266: ok 4862 266: ok 4863 266: ok 4864 266: ok 4865 266: ok 4866 266: ok 4867 266: ok 4868 266: ok 4869 266: ok 4870 266: ok 4871 266: ok 4872 266: ok 4873 266: ok 4874 266: ok 4875 266: ok 4876 266: ok 4877 266: ok 4878 266: ok 4879 266: ok 4880 266: ok 4881 266: ok 4882 266: ok 4883 266: ok 4884 266: ok 4885 266: ok 4886 266: ok 4887 266: ok 4888 266: ok 4889 266: ok 4890 266: ok 4891 266: ok 4892 266: ok 4893 266: ok 4894 266: ok 4895 266: ok 4896 266: ok 4897 266: ok 4898 266: ok 4899 266: ok 4900 266: ok 4901 266: ok 4902 266: ok 4903 266: ok 4904 266: ok 4905 266: ok 4906 266: ok 4907 266: ok 4908 266: ok 4909 266: ok 4910 266: ok 4911 266: ok 4912 266: ok 4913 266: ok 4914 266: ok 4915 266: ok 4916 266: ok 4917 266: ok 4918 266: ok 4919 266: ok 4920 266: ok 4921 266: ok 4922 266: ok 4923 266: ok 4924 266: ok 4925 266: ok 4926 266: ok 4927 266: ok 4928 266: ok 4929 266: ok 4930 266: ok 4931 266: ok 4932 266: ok 4933 266: ok 4934 266: ok 4935 266: ok 4936 266: ok 4937 266: ok 4938 266: ok 4939 266: ok 4940 266: ok 4941 266: ok 4942 266: ok 4943 266: ok 4944 266: ok 4945 266: ok 4946 266: ok 4947 266: ok 4948 266: ok 4949 266: ok 4950 266: ok 4951 266: ok 4952 266: ok 4953 266: ok 4954 266: ok 4955 266: ok 4956 266: ok 4957 266: ok 4958 266: ok 4959 266: ok 4960 266: ok 4961 266: ok 4962 266: ok 4963 266: ok 4964 266: ok 4965 266: ok 4966 266: ok 4967 266: ok 4968 266: ok 4969 266: ok 4970 266: ok 4971 266: ok 4972 266: ok 4973 266: ok 4974 266: ok 4975 266: ok 4976 266: ok 4977 266: ok 4978 266: ok 4979 266: ok 4980 266: ok 4981 266: ok 4982 266: ok 4983 266: ok 4984 266: ok 4985 266: ok 4986 266: ok 4987 266: ok 4988 266: ok 4989 266: ok 4990 266: ok 4991 266: ok 4992 266: ok 4993 266: ok 4994 266: ok 4995 266: ok 4996 266: ok 4997 266: ok 4998 266: ok 4999 266: ok 5000 266: ok 5001 266: ok 5002 266: ok 5003 266: ok 5004 266: ok 5005 266: ok 5006 266: ok 5007 266: ok 5008 266: ok 5009 266: ok 5010 266: ok 5011 266: ok 5012 266: ok 5013 266: ok 5014 266: ok 5015 266: ok 5016 266: ok 5017 266: ok 5018 266: ok 5019 266: ok 5020 266: ok 5021 266: ok 5022 266: ok 5023 266: ok 5024 266: ok 5025 266: ok 5026 266: ok 5027 266: ok 5028 266: ok 5029 266: ok 5030 266: ok 5031 266: ok 5032 266: ok 5033 266: ok 5034 266: ok 5035 266: ok 5036 266: ok 5037 266: ok 5038 266: ok 5039 266: ok 5040 266: ok 5041 266: ok 5042 266: ok 5043 266: ok 5044 266: ok 5045 266: ok 5046 266: ok 5047 266: ok 5048 266: ok 5049 266: ok 5050 266: ok 5051 266: ok 5052 266: ok 5053 266: ok 5054 266: ok 5055 266: ok 5056 266: ok 5057 266: ok 5058 266: ok 5059 266: ok 5060 266: ok 5061 266: ok 5062 266: ok 5063 266: ok 5064 266: ok 5065 266: ok 5066 266: ok 5067 266: ok 5068 266: ok 5069 266: ok 5070 266: ok 5071 266: ok 5072 266: ok 5073 266: ok 5074 266: ok 5075 266: ok 5076 266: ok 5077 266: ok 5078 266: ok 5079 266: ok 5080 266: ok 5081 266: ok 5082 266: ok 5083 266: ok 5084 266: ok 5085 266: ok 5086 266: ok 5087 266: ok 5088 266: ok 5089 266: ok 5090 266: ok 5091 266: ok 5092 266: ok 5093 266: ok 5094 266: ok 5095 266: ok 5096 266: ok 5097 266: ok 5098 266: ok 5099 266: ok 5100 266: ok 5101 266: ok 5102 266: ok 5103 266: ok 5104 266: ok 5105 266: ok 5106 266: ok 5107 266: ok 5108 266: ok 5109 266: ok 5110 266: ok 5111 266: ok 5112 266: ok 5113 266: ok 5114 266: ok 5115 266: ok 5116 266: ok 5117 266: ok 5118 266: ok 5119 266: ok 5120 266: ok 5121 266: ok 5122 266: ok 5123 266: ok 5124 266: ok 5125 266: ok 5126 266: ok 5127 266: ok 5128 266: ok 5129 266: ok 5130 266: ok 5131 266: ok 5132 266: ok 5133 266: ok 5134 266: ok 5135 266: ok 5136 266: ok 5137 266: ok 5138 266: ok 5139 266: ok 5140 266: ok 5141 266: ok 5142 266: ok 5143 266: ok 5144 266: ok 5145 266: ok 5146 266: ok 5147 266: ok 5148 266: ok 5149 266: ok 5150 266: ok 5151 266: ok 5152 266: ok 5153 266: ok 5154 266: ok 5155 266: ok 5156 266: ok 5157 266: ok 5158 266: ok 5159 266: ok 5160 266: ok 5161 266: ok 5162 266: ok 5163 266: ok 5164 266: ok 5165 266: ok 5166 266: ok 5167 266: ok 5168 266: ok 5169 266: ok 5170 266: ok 5171 266: ok 5172 266: ok 5173 266: ok 5174 266: ok 5175 266: ok 5176 266: ok 5177 266: ok 5178 266: ok 5179 266: ok 5180 266: ok 5181 266: ok 5182 266: ok 5183 266: ok 5184 266: ok 5185 266: ok 5186 266: ok 5187 266: ok 5188 266: ok 5189 266: ok 5190 266: ok 5191 266: ok 5192 266: ok 5193 266: ok 5194 266: ok 5195 266: ok 5196 266: ok 5197 266: ok 5198 266: ok 5199 266: ok 5200 266: ok 5201 266: ok 5202 266: ok 5203 266: ok 5204 266: ok 5205 266: ok 5206 266: ok 5207 266: ok 5208 266: ok 5209 266: ok 5210 266: ok 5211 266: ok 5212 266: ok 5213 266: ok 5214 266: ok 5215 266: ok 5216 266: ok 5217 266: ok 5218 266: ok 5219 266: ok 5220 266: ok 5221 266: ok 5222 266: ok 5223 266: ok 5224 266: ok 5225 266: ok 5226 266: ok 5227 266: ok 5228 266: ok 5229 266: ok 5230 266: ok 5231 266: ok 5232 266: ok 5233 266: ok 5234 266: ok 5235 266: ok 5236 266: ok 5237 266: ok 5238 266: ok 5239 266: ok 5240 266: ok 5241 266: ok 5242 266: ok 5243 266: ok 5244 266: ok 5245 266: ok 5246 266: ok 5247 266: ok 5248 266: ok 5249 266: ok 5250 266: ok 5251 266: ok 5252 266: ok 5253 266: ok 5254 266: ok 5255 266: ok 5256 266: ok 5257 266: ok 5258 266: ok 5259 266: ok 5260 266: ok 5261 266: ok 5262 266: ok 5263 266: ok 5264 266: ok 5265 266: ok 5266 266: ok 5267 266: ok 5268 266: ok 5269 266: ok 5270 266: ok 5271 266: ok 5272 266: ok 5273 266: ok 5274 266: ok 5275 266: ok 5276 266: ok 5277 266: ok 5278 266: ok 5279 266: ok 5280 266: ok 5281 266: ok 5282 266: ok 5283 266: ok 5284 266: ok 5285 266: ok 5286 266: ok 5287 266: ok 5288 266: ok 5289 266: ok 5290 266: ok 5291 266: ok 5292 266: ok 5293 266: ok 5294 266: ok 5295 266: ok 5296 266: ok 5297 266: ok 5298 266: ok 5299 266: ok 5300 266: ok 5301 266: ok 5302 266: ok 5303 266: ok 5304 266: ok 5305 266: ok 5306 266: ok 5307 266: ok 5308 266: ok 5309 266: ok 5310 266: ok 5311 266: ok 5312 266: ok 5313 266: ok 5314 266: ok 5315 266: ok 5316 266: ok 5317 266: ok 5318 266: ok 5319 266: ok 5320 266: ok 5321 266: ok 5322 266: ok 5323 266: ok 5324 266: ok 5325 266: ok 5326 266: ok 5327 266: ok 5328 266: ok 5329 266: ok 5330 266: ok 5331 266: ok 5332 266: ok 5333 266: ok 5334 266: ok 5335 266: ok 5336 266: ok 5337 266: ok 5338 266: ok 5339 266: ok 5340 266: ok 5341 266: ok 5342 266: ok 5343 266: ok 5344 266: ok 5345 266: ok 5346 266: ok 5347 266: ok 5348 266: ok 5349 266: ok 5350 266: ok 5351 266: ok 5352 266: ok 5353 266: ok 5354 266: ok 5355 266: ok 5356 266: ok 5357 266: ok 5358 266: ok 5359 266: ok 5360 266: ok 5361 266: ok 5362 266: ok 5363 266: ok 5364 266: ok 5365 266: ok 5366 266: ok 5367 266: ok 5368 266: ok 5369 266: ok 5370 266: ok 5371 266: ok 5372 266: ok 5373 266: ok 5374 266: ok 5375 266: ok 5376 266: ok 5377 266: ok 5378 266: ok 5379 266: ok 5380 266: ok 5381 266: ok 5382 266: ok 5383 266: ok 5384 266: ok 5385 266: ok 5386 266: ok 5387 266: ok 5388 266: ok 5389 266: ok 5390 266: ok 5391 266: ok 5392 266: ok 5393 266: ok 5394 266: ok 5395 266: ok 5396 266: ok 5397 266: ok 5398 266: ok 5399 266: ok 5400 266: ok 5401 266: ok 5402 266: ok 5403 266: ok 5404 266: ok 5405 266: ok 5406 266: ok 5407 266: ok 5408 266: ok 5409 266: ok 5410 266: ok 5411 266: ok 5412 266: ok 5413 266: ok 5414 266: ok 5415 266: ok 5416 266: ok 5417 266: ok 5418 266: ok 5419 266: ok 5420 266: ok 5421 266: ok 5422 266: ok 5423 266: ok 5424 266: ok 5425 266: ok 5426 266: ok 5427 266: ok 5428 266: ok 5429 266: ok 5430 266: ok 5431 266: ok 5432 266: ok 5433 266: ok 5434 266: ok 5435 266: ok 5436 266: ok 5437 266: ok 5438 266: ok 5439 266: ok 5440 266: ok 5441 266: ok 5442 266: ok 5443 266: ok 5444 266: ok 5445 266: ok 5446 266: ok 5447 266: ok 5448 266: ok 5449 266: ok 5450 266: ok 5451 266: ok 5452 266: ok 5453 266: ok 5454 266: ok 5455 266: ok 5456 266: ok 5457 266: ok 5458 266: ok 5459 266: ok 5460 266: ok 5461 266: ok 5462 266: ok 5463 266: ok 5464 266: ok 5465 266: ok 5466 266: ok 5467 266: ok 5468 266: ok 5469 266: ok 5470 266: ok 5471 266: ok 5472 266: ok 5473 266: ok 5474 266: ok 5475 266: ok 5476 266: ok 5477 266: ok 5478 266: ok 5479 266: ok 5480 266: ok 5481 266: ok 5482 266: ok 5483 266: ok 5484 266: ok 5485 266: ok 5486 266: ok 5487 266: ok 5488 266: ok 5489 266: ok 5490 266: ok 5491 266: ok 5492 266: ok 5493 266: ok 5494 266: ok 5495 266: ok 5496 266: ok 5497 266: ok 5498 266: ok 5499 266: ok 5500 266: ok 5501 266: ok 5502 266: ok 5503 266: ok 5504 266: ok 5505 266: ok 5506 266: ok 5507 266: ok 5508 266: ok 5509 266: ok 5510 266: ok 5511 266: ok 5512 266: ok 5513 266: ok 5514 266: ok 5515 266: ok 5516 266: ok 5517 266: ok 5518 266: ok 5519 266: ok 5520 266: ok 5521 266: ok 5522 266: ok 5523 266: ok 5524 266: ok 5525 266: ok 5526 266: ok 5527 266: ok 5528 266: ok 5529 266: ok 5530 266: ok 5531 266: ok 5532 266: ok 5533 266: ok 5534 266: ok 5535 266: ok 5536 266: ok 5537 266: ok 5538 266: ok 5539 266: ok 5540 266: ok 5541 266: ok 5542 266: ok 5543 266: ok 5544 266: ok 5545 266: ok 5546 266: ok 5547 266: ok 5548 266: ok 5549 266: ok 5550 266: ok 5551 266: ok 5552 266: ok 5553 266: ok 5554 266: ok 5555 266: ok 5556 266: ok 5557 266: ok 5558 266: ok 5559 266: ok 5560 266: ok 5561 266: ok 5562 266: ok 5563 266: ok 5564 266: ok 5565 266: ok 5566 266: ok 5567 266: ok 5568 266: ok 5569 266: ok 5570 266: ok 5571 266: ok 5572 266: ok 5573 266: ok 5574 266: ok 5575 266: ok 5576 266: ok 5577 266: ok 5578 266: ok 5579 266: ok 5580 266: ok 5581 266: ok 5582 266: ok 5583 266: ok 5584 266: ok 5585 266: ok 5586 266: ok 5587 266: ok 5588 266: ok 5589 266: ok 5590 266: ok 5591 266: ok 5592 266: ok 5593 266: ok 5594 266: ok 5595 266: ok 5596 266: ok 5597 266: ok 5598 266: ok 5599 266: ok 5600 266: ok 5601 266: ok 5602 266: ok 5603 266: ok 5604 266: ok 5605 266: ok 5606 266: ok 5607 266: ok 5608 266: ok 5609 266: ok 5610 266: ok 5611 266: ok 5612 266: ok 5613 266: ok 5614 266: ok 5615 266: ok 5616 266: ok 5617 266: ok 5618 266: ok 5619 266: ok 5620 266: ok 5621 266: ok 5622 266: ok 5623 266: ok 5624 266: ok 5625 266: ok 5626 266: ok 5627 266: ok 5628 266: ok 5629 266: ok 5630 266: ok 5631 266: ok 5632 266: ok 5633 266: ok 5634 266: ok 5635 266: ok 5636 266: ok 5637 266: ok 5638 266: ok 5639 266: ok 5640 266: ok 5641 266: ok 5642 266: ok 5643 266: ok 5644 266: ok 5645 266: ok 5646 266: ok 5647 266: ok 5648 266: ok 5649 266: ok 5650 266: ok 5651 266: ok 5652 266: ok 5653 266: ok 5654 266: ok 5655 266: ok 5656 266: ok 5657 266: ok 5658 266: ok 5659 266: ok 5660 266: ok 5661 266: ok 5662 266: ok 5663 266: ok 5664 266: ok 5665 266: ok 5666 266: ok 5667 266: ok 5668 266: ok 5669 266: ok 5670 266: ok 5671 266: ok 5672 266: ok 5673 266: ok 5674 266: ok 5675 266: ok 5676 266: ok 5677 266: ok 5678 266: ok 5679 266: ok 5680 266: ok 5681 266: ok 5682 266: ok 5683 266: ok 5684 266: ok 5685 266: ok 5686 266: ok 5687 266: ok 5688 266: ok 5689 266: ok 5690 266: ok 5691 266: ok 5692 266: ok 5693 266: ok 5694 266: ok 5695 266: ok 5696 266: ok 5697 266: ok 5698 266: ok 5699 266: ok 5700 266: ok 5701 266: ok 5702 266: ok 5703 266: ok 5704 266: ok 5705 266: ok 5706 266: ok 5707 266: ok 5708 266: ok 5709 266: ok 5710 266: ok 5711 266: ok 5712 266: ok 5713 266: ok 5714 266: ok 5715 266: ok 5716 266: ok 5717 266: ok 5718 266: ok 5719 266: ok 5720 266: ok 5721 266: ok 5722 266: ok 5723 266: ok 5724 266: ok 5725 266: ok 5726 266: ok 5727 266: ok 5728 266: ok 5729 266: ok 5730 266: ok 5731 266: ok 5732 266: ok 5733 266: ok 5734 266: ok 5735 266: ok 5736 266: ok 5737 266: ok 5738 266: ok 5739 266: ok 5740 266: ok 5741 266: ok 5742 266: ok 5743 266: ok 5744 266: ok 5745 266: ok 5746 266: ok 5747 266: ok 5748 266: ok 5749 266: ok 5750 266: ok 5751 266: ok 5752 266: ok 5753 266: ok 5754 266: ok 5755 266: ok 5756 266: ok 5757 266: ok 5758 266: ok 5759 266: ok 5760 266: ok 5761 266: ok 5762 266: ok 5763 266: ok 5764 266: ok 5765 266: ok 5766 266: ok 5767 266: ok 5768 266: ok 5769 266: ok 5770 266: ok 5771 266: ok 5772 266: ok 5773 266: ok 5774 266: ok 5775 266: ok 5776 266: ok 5777 266: ok 5778 266: ok 5779 266: ok 5780 266: ok 5781 266: ok 5782 266: ok 5783 266: ok 5784 266: ok 5785 266: ok 5786 266: ok 5787 266: ok 5788 266: ok 5789 266: ok 5790 266: ok 5791 266: ok 5792 266: ok 5793 266: ok 5794 266: ok 5795 266: ok 5796 266: ok 5797 266: ok 5798 266: ok 5799 266: ok 5800 266: ok 5801 266: ok 5802 266: ok 5803 266: ok 5804 266: ok 5805 266: ok 5806 266: ok 5807 266: ok 5808 266: ok 5809 266: ok 5810 266: ok 5811 266: ok 5812 266: ok 5813 266: ok 5814 266: ok 5815 266: ok 5816 266: ok 5817 266: ok 5818 266: ok 5819 266: ok 5820 266: ok 5821 266: ok 5822 266: ok 5823 266: ok 5824 266: ok 5825 266: ok 5826 266: ok 5827 266: ok 5828 266: ok 5829 266: ok 5830 266: ok 5831 266: ok 5832 266: ok 5833 266: ok 5834 266: ok 5835 266: ok 5836 266: ok 5837 266: ok 5838 266: ok 5839 266: ok 5840 266: ok 5841 266: ok 5842 266: ok 5843 266: ok 5844 266: ok 5845 266: ok 5846 266: ok 5847 266: ok 5848 266: ok 5849 266: ok 5850 266: ok 5851 266: ok 5852 266: ok 5853 266: ok 5854 266: ok 5855 266: ok 5856 266: ok 5857 266: ok 5858 266: ok 5859 266: ok 5860 266: ok 5861 266: ok 5862 266: ok 5863 266: ok 5864 266: ok 5865 266: ok 5866 266: ok 5867 266: ok 5868 266: ok 5869 266: ok 5870 266: ok 5871 266: ok 5872 266: ok 5873 266: ok 5874 266: ok 5875 266: ok 5876 266: ok 5877 266: ok 5878 266: ok 5879 266: ok 5880 266: ok 5881 266: ok 5882 266: ok 5883 266: ok 5884 266: ok 5885 266: ok 5886 266: ok 5887 266: ok 5888 266: ok 5889 266: ok 5890 266: ok 5891 266: ok 5892 266: ok 5893 266: ok 5894 266: ok 5895 266: ok 5896 266: ok 5897 266: ok 5898 266: ok 5899 266: ok 5900 266: ok 5901 266: ok 5902 266: ok 5903 266: ok 5904 266: ok 5905 266: ok 5906 266: ok 5907 266: ok 5908 266: ok 5909 266: ok 5910 266: ok 5911 266: ok 5912 266: ok 5913 266: ok 5914 266: ok 5915 266: ok 5916 266: ok 5917 266: ok 5918 266: ok 5919 266: ok 5920 266: ok 5921 266: ok 5922 266: ok 5923 266: ok 5924 266: ok 5925 266: ok 5926 266: ok 5927 266: ok 5928 266: ok 5929 266: ok 5930 266: ok 5931 266: ok 5932 266: ok 5933 266: ok 5934 266: ok 5935 266: ok 5936 266: ok 5937 266: ok 5938 266: ok 5939 266: ok 5940 266: ok 5941 266: ok 5942 266: ok 5943 266: ok 5944 266: ok 5945 266: ok 5946 266: ok 5947 266: ok 5948 266: ok 5949 266: ok 5950 266: ok 5951 266: ok 5952 266: ok 5953 266: ok 5954 266: ok 5955 266: ok 5956 266: ok 5957 266: ok 5958 266: ok 5959 266: ok 5960 266: ok 5961 266: ok 5962 266: ok 5963 266: ok 5964 266: ok 5965 266: ok 5966 266: ok 5967 266: ok 5968 266: ok 5969 266: ok 5970 266: ok 5971 266: ok 5972 266: ok 5973 266: ok 5974 266: ok 5975 266: ok 5976 266: ok 5977 266: ok 5978 266: ok 5979 266: ok 5980 266: ok 5981 266: ok 5982 266: ok 5983 266: ok 5984 266: ok 5985 266: ok 5986 266: ok 5987 266: ok 5988 266: ok 5989 266: ok 5990 266: ok 5991 266: ok 5992 266: ok 5993 266: ok 5994 266: ok 5995 266: ok 5996 266: ok 5997 266: ok 5998 266: ok 5999 266: ok 6000 266: ok 6001 266: ok 6002 266: ok 6003 266: ok 6004 266: ok 6005 266: ok 6006 266: ok 6007 266: ok 6008 266: ok 6009 266: ok 6010 266: ok 6011 266: ok 6012 266: ok 6013 266: ok 6014 266: ok 6015 266: ok 6016 266: ok 6017 266: ok 6018 266: ok 6019 266: ok 6020 266: ok 6021 266: ok 6022 266: ok 6023 266: ok 6024 266: ok 6025 266: ok 6026 266: ok 6027 266: ok 6028 266: ok 6029 266: ok 6030 266: ok 6031 266: ok 6032 266: ok 6033 266: ok 6034 266: ok 6035 266: ok 6036 266: ok 6037 266: ok 6038 266: ok 6039 266: ok 6040 266: ok 6041 266: ok 6042 266: ok 6043 266: ok 6044 266: ok 6045 266: ok 6046 266: ok 6047 266: ok 6048 266: ok 6049 266: ok 6050 266: ok 6051 266: ok 6052 266: ok 6053 266: ok 6054 266: ok 6055 266: ok 6056 266: ok 6057 266: ok 6058 266: ok 6059 266: ok 6060 266: ok 6061 266: ok 6062 266: ok 6063 266: ok 6064 266: ok 6065 266: ok 6066 266: ok 6067 266: ok 6068 266: ok 6069 266: ok 6070 266: ok 6071 266: ok 6072 266: ok 6073 266: ok 6074 266: ok 6075 266: ok 6076 266: ok 6077 266: ok 6078 266: ok 6079 266: ok 6080 266: ok 6081 266: ok 6082 266: ok 6083 266: ok 6084 266: ok 6085 266: ok 6086 266: ok 6087 266: ok 6088 266: ok 6089 266: ok 6090 266: ok 6091 266: ok 6092 266: ok 6093 266: ok 6094 266: ok 6095 266: ok 6096 266: ok 6097 266: ok 6098 266: ok 6099 266: ok 6100 266: ok 6101 266: ok 6102 266: ok 6103 266: ok 6104 266: ok 6105 266: ok 6106 266: ok 6107 266: ok 6108 266: ok 6109 266: ok 6110 266: ok 6111 266: ok 6112 266: ok 6113 266: ok 6114 266: ok 6115 266: ok 6116 266: ok 6117 266: ok 6118 266: ok 6119 266: ok 6120 266: ok 6121 266: ok 6122 266: ok 6123 266: ok 6124 266: ok 6125 266: ok 6126 266: ok 6127 266: ok 6128 266: ok 6129 266: ok 6130 266: ok 6131 266: ok 6132 266: ok 6133 266: ok 6134 266: ok 6135 266: ok 6136 266: ok 6137 266: ok 6138 266: ok 6139 266: ok 6140 266: ok 6141 266: ok 6142 266: ok 6143 266: ok 6144 266: ok 6145 266: ok 6146 266: ok 6147 266: ok 6148 266: ok 6149 266: ok 6150 266: ok 6151 266: ok 6152 266: ok 6153 266: ok 6154 266: ok 6155 266: ok 6156 266: ok 6157 266: ok 6158 266: ok 6159 266: ok 6160 266: ok 6161 266: ok 6162 266: ok 6163 266: ok 6164 266: ok 6165 266: ok 6166 266: ok 6167 266: ok 6168 266: ok 6169 266: ok 6170 266: ok 6171 266: ok 6172 266: ok 6173 266: ok 6174 266: ok 6175 266: ok 6176 266: ok 6177 266: ok 6178 266: ok 6179 266: ok 6180 266: ok 6181 266: ok 6182 266: ok 6183 266: ok 6184 266: ok 6185 266: ok 6186 266: ok 6187 266: ok 6188 266: ok 6189 266: ok 6190 266: ok 6191 266: ok 6192 266: ok 6193 266: ok 6194 266: ok 6195 266: ok 6196 266: ok 6197 266: ok 6198 266: ok 6199 266: ok 6200 266: ok 6201 266: ok 6202 266: ok 6203 266: ok 6204 266: ok 6205 266: ok 6206 266: ok 6207 266: ok 6208 266: ok 6209 266: ok 6210 266: ok 6211 266: ok 6212 266: ok 6213 266: ok 6214 266: ok 6215 266: ok 6216 266: ok 6217 266: ok 6218 266: ok 6219 266: ok 6220 266: ok 6221 266: ok 6222 266: ok 6223 266: ok 6224 266: ok 6225 266: ok 6226 266: ok 6227 266: ok 6228 266: ok 6229 266: ok 6230 266: ok 6231 266: ok 6232 266: ok 6233 266: ok 6234 266: ok 6235 266: ok 6236 266: ok 6237 266: ok 6238 266: ok 6239 266: ok 6240 266: ok 6241 266: ok 6242 266: ok 6243 266: ok 6244 266: ok 6245 266: ok 6246 266: ok 6247 266: ok 6248 266: ok 6249 266: ok 6250 266: ok 6251 266: ok 6252 266: ok 6253 266: ok 6254 266: ok 6255 266: ok 6256 266: ok 6257 266: ok 6258 266: ok 6259 266: ok 6260 266: ok 6261 266: ok 6262 266: ok 6263 266: ok 6264 266: ok 6265 266: ok 6266 266: ok 6267 266: ok 6268 266: ok 6269 266: ok 6270 266: ok 6271 266: ok 6272 266: ok 6273 266: ok 6274 266: ok 6275 266: ok 6276 266: ok 6277 266: ok 6278 266: ok 6279 266: ok 6280 266: ok 6281 266: ok 6282 266: ok 6283 266: ok 6284 266: ok 6285 266: ok 6286 266: ok 6287 266: ok 6288 266: ok 6289 266: ok 6290 266: ok 6291 266: ok 6292 266: ok 6293 266: ok 6294 266: ok 6295 266: ok 6296 266: ok 6297 266: ok 6298 266: ok 6299 266: ok 6300 266: ok 6301 266: ok 6302 266: ok 6303 266: ok 6304 266: ok 6305 266: ok 6306 266: ok 6307 266: ok 6308 266: ok 6309 266: ok 6310 266: ok 6311 266: ok 6312 266: ok 6313 266: ok 6314 266: ok 6315 266: ok 6316 266: ok 6317 266: ok 6318 266: ok 6319 266: ok 6320 266: ok 6321 266: ok 6322 266: ok 6323 266: ok 6324 266: ok 6325 266: ok 6326 266: ok 6327 266: ok 6328 266: ok 6329 266: ok 6330 266: ok 6331 266: ok 6332 266: ok 6333 266: ok 6334 266: ok 6335 266: ok 6336 266: ok 6337 266: ok 6338 266: ok 6339 266: ok 6340 266: ok 6341 266: ok 6342 266: ok 6343 266: ok 6344 266: ok 6345 266: ok 6346 266: ok 6347 266: ok 6348 266: ok 6349 266: ok 6350 266: ok 6351 266: ok 6352 266: ok 6353 266: ok 6354 266: ok 6355 266: ok 6356 266: ok 6357 266: ok 6358 266: ok 6359 266: ok 6360 266: ok 6361 266: ok 6362 266: ok 6363 266: ok 6364 266: ok 6365 266: ok 6366 266: ok 6367 266: ok 6368 266: ok 6369 266: ok 6370 266: ok 6371 266: ok 6372 266: ok 6373 266: ok 6374 266: ok 6375 266: ok 6376 266: ok 6377 266: ok 6378 266: ok 6379 266: ok 6380 266: ok 6381 266: ok 6382 266: ok 6383 266: ok 6384 266: ok 6385 266: ok 6386 266: ok 6387 266: ok 6388 266: ok 6389 266: ok 6390 266: ok 6391 266: ok 6392 266: ok 6393 266: ok 6394 266: ok 6395 266: ok 6396 266: ok 6397 266: ok 6398 266: ok 6399 266: ok 6400 266: ok 6401 266: ok 6402 266: ok 6403 266: ok 6404 266: ok 6405 266: ok 6406 266: ok 6407 266: ok 6408 266: ok 6409 266: ok 6410 266: ok 6411 266: ok 6412 266: ok 6413 266: ok 6414 266: ok 6415 266: ok 6416 266: ok 6417 266: ok 6418 266: ok 6419 266: ok 6420 266: ok 6421 266: ok 6422 266: ok 6423 266: ok 6424 266: ok 6425 266: ok 6426 266: ok 6427 266: ok 6428 266: ok 6429 266: ok 6430 266: ok 6431 266: ok 6432 266: ok 6433 266: ok 6434 266: ok 6435 266: ok 6436 266: ok 6437 266: ok 6438 266: ok 6439 266: ok 6440 266: ok 6441 266: ok 6442 266: ok 6443 266: ok 6444 266: ok 6445 266: ok 6446 266: ok 6447 266: ok 6448 266: ok 6449 266: ok 6450 266: ok 6451 266: ok 6452 266: ok 6453 266: ok 6454 266: ok 6455 266: ok 6456 266: ok 6457 266: ok 6458 266: ok 6459 266: ok 6460 266: ok 6461 266: ok 6462 266: ok 6463 266: ok 6464 266: ok 6465 266: ok 6466 266: ok 6467 266: ok 6468 266: ok 6469 266: ok 6470 266: ok 6471 266: ok 6472 266: ok 6473 266: ok 6474 266: ok 6475 266: ok 6476 266: ok 6477 266: ok 6478 266: ok 6479 266: ok 6480 266: ok 6481 266: ok 6482 266: ok 6483 266: ok 6484 266: ok 6485 266: ok 6486 266: ok 6487 266: ok 6488 266: ok 6489 266: ok 6490 266: ok 6491 266: ok 6492 266: ok 6493 266: ok 6494 266: ok 6495 266: ok 6496 266: ok 6497 266: ok 6498 266: ok 6499 266: ok 6500 266: ok 6501 266: ok 6502 266: ok 6503 266: ok 6504 266: ok 6505 266: ok 6506 266: ok 6507 266: ok 6508 266: ok 6509 266: ok 6510 266: ok 6511 266: ok 6512 266: ok 6513 266: ok 6514 266: ok 6515 266: ok 6516 266: ok 6517 266: ok 6518 266: ok 6519 266: ok 6520 266: ok 6521 266: ok 6522 266: ok 6523 266: ok 6524 266: ok 6525 266: ok 6526 266: ok 6527 266: ok 6528 266: ok 6529 266: ok 6530 266: ok 6531 266: ok 6532 266: ok 6533 266: ok 6534 266: ok 6535 266: ok 6536 266: ok 6537 266: ok 6538 266: ok 6539 266: ok 6540 266: ok 6541 266: ok 6542 266: ok 6543 266: ok 6544 266: ok 6545 266: ok 6546 266: ok 6547 266: ok 6548 266: ok 6549 266: ok 6550 266: ok 6551 266: ok 6552 266: ok 6553 266: ok 6554 266: ok 6555 266: ok 6556 266: ok 6557 266: ok 6558 266: ok 6559 266: ok 6560 266: ok 6561 266: ok 6562 266: ok 6563 266: ok 6564 266: ok 6565 266: ok 6566 266: ok 6567 266: ok 6568 266: ok 6569 266: ok 6570 266: ok 6571 266: ok 6572 266: ok 6573 266: ok 6574 266: ok 6575 266: ok 6576 266: ok 6577 266: ok 6578 266: ok 6579 266: ok 6580 266: ok 6581 266: ok 6582 266: ok 6583 266: ok 6584 266: ok 6585 266: ok 6586 266: ok 6587 266: ok 6588 266: ok 6589 266: ok 6590 266: ok 6591 266: ok 6592 266: ok 6593 266: ok 6594 266: ok 6595 266: ok 6596 266: ok 6597 266: ok 6598 266: ok 6599 266: ok 6600 266: ok 6601 266: ok 6602 266: ok 6603 266: ok 6604 266: ok 6605 266: ok 6606 266: ok 6607 266: ok 6608 266: ok 6609 266: ok 6610 266: ok 6611 266: ok 6612 266: ok 6613 266: ok 6614 266: ok 6615 266: ok 6616 266: ok 6617 266: ok 6618 266: ok 6619 266: ok 6620 266: ok 6621 266: ok 6622 266: ok 6623 266: ok 6624 266: ok 6625 266: ok 6626 266: ok 6627 266: ok 6628 266: ok 6629 266: ok 6630 266: ok 6631 266: ok 6632 266: ok 6633 266: ok 6634 266: ok 6635 266: ok 6636 266: ok 6637 266: ok 6638 266: ok 6639 266: ok 6640 266: ok 6641 266: ok 6642 266: ok 6643 266: ok 6644 266: ok 6645 266: ok 6646 266: ok 6647 266: ok 6648 266: ok 6649 266: ok 6650 266: ok 6651 266: ok 6652 266: ok 6653 266: ok 6654 266: ok 6655 266: ok 6656 266: ok 6657 266: ok 6658 266: ok 6659 266: ok 6660 266: ok 6661 266: ok 6662 266: ok 6663 266: ok 6664 266: ok 6665 266: ok 6666 266: ok 6667 266: ok 6668 266: ok 6669 266: ok 6670 266: ok 6671 266: ok 6672 266: ok 6673 266: ok 6674 266: ok 6675 266: ok 6676 266: ok 6677 266: ok 6678 266: ok 6679 266: ok 6680 266: ok 6681 266: ok 6682 266: ok 6683 266: ok 6684 266: ok 6685 266: ok 6686 266: ok 6687 266: ok 6688 266: ok 6689 266: ok 6690 266: ok 6691 266: ok 6692 266: ok 6693 266: ok 6694 266: ok 6695 266: ok 6696 266: ok 6697 266: ok 6698 266: ok 6699 266: ok 6700 266: ok 6701 266: ok 6702 266: ok 6703 266: ok 6704 266: ok 6705 266: ok 6706 266: ok 6707 266: ok 6708 266: ok 6709 266: ok 6710 266: ok 6711 266: ok 6712 266: ok 6713 266: ok 6714 266: ok 6715 266: ok 6716 266: ok 6717 266: ok 6718 266: ok 6719 266: ok 6720 266: ok 6721 266: ok 6722 266: ok 6723 266: ok 6724 266: ok 6725 266: ok 6726 266: ok 6727 266: ok 6728 266: ok 6729 266: ok 6730 266: ok 6731 266: ok 6732 266: ok 6733 266: ok 6734 266: ok 6735 266: ok 6736 266: ok 6737 266: ok 6738 266: ok 6739 266: ok 6740 266: ok 6741 266: ok 6742 266: ok 6743 266: ok 6744 266: ok 6745 266: ok 6746 266: ok 6747 266: ok 6748 266: ok 6749 266: ok 6750 266: ok 6751 266: ok 6752 266: ok 6753 266: ok 6754 266: ok 6755 266: ok 6756 266: ok 6757 266: ok 6758 266: ok 6759 266: ok 6760 266: ok 6761 266: ok 6762 266: ok 6763 266: ok 6764 266: ok 6765 266: ok 6766 266: ok 6767 266: ok 6768 266: ok 6769 266: ok 6770 266: ok 6771 266: ok 6772 266: ok 6773 266: ok 6774 266: ok 6775 266: ok 6776 266: ok 6777 266: ok 6778 266: ok 6779 266: ok 6780 266: ok 6781 266: ok 6782 266: ok 6783 266: ok 6784 266: ok 6785 266: ok 6786 266: ok 6787 266: ok 6788 266: ok 6789 266: ok 6790 266: ok 6791 266: ok 6792 266: ok 6793 266: ok 6794 266: ok 6795 266: ok 6796 266: ok 6797 266: ok 6798 266: ok 6799 266: ok 6800 266: ok 6801 266: ok 6802 266: ok 6803 266: ok 6804 266: ok 6805 266: ok 6806 266: ok 6807 266: ok 6808 266: ok 6809 266: ok 6810 266: ok 6811 266: ok 6812 266: ok 6813 266: ok 6814 266: ok 6815 266: ok 6816 266: ok 6817 266: ok 6818 266: ok 6819 266: ok 6820 266: ok 6821 266: ok 6822 266: ok 6823 266: ok 6824 266: ok 6825 266: ok 6826 266: ok 6827 266: ok 6828 266: ok 6829 266: ok 6830 266: ok 6831 266: ok 6832 266: ok 6833 266: ok 6834 266: ok 6835 266: ok 6836 266: ok 6837 266: ok 6838 266: ok 6839 266: ok 6840 266: ok 6841 266: ok 6842 266: ok 6843 266: ok 6844 266: ok 6845 266: ok 6846 266: ok 6847 266: ok 6848 266: ok 6849 266: ok 6850 266: ok 6851 266: ok 6852 266: ok 6853 266: ok 6854 266: ok 6855 266: ok 6856 266: ok 6857 266: ok 6858 266: ok 6859 266: ok 6860 266: ok 6861 266: ok 6862 266: ok 6863 266: ok 6864 266: ok 6865 266: ok 6866 266: ok 6867 266: ok 6868 266: ok 6869 266: ok 6870 266: ok 6871 266: ok 6872 266: ok 6873 266: ok 6874 266: ok 6875 266: ok 6876 266: ok 6877 266: ok 6878 266: ok 6879 266: ok 6880 266: ok 6881 266: ok 6882 266: ok 6883 266: ok 6884 266: ok 6885 266: ok 6886 266: ok 6887 266: ok 6888 266: ok 6889 266: ok 6890 266: ok 6891 266: ok 6892 266: ok 6893 266: ok 6894 266: ok 6895 266: ok 6896 266: ok 6897 266: ok 6898 266: ok 6899 266: ok 6900 266: ok 6901 266: ok 6902 266: ok 6903 266: ok 6904 266: ok 6905 266: ok 6906 266: ok 6907 266: ok 6908 266: ok 6909 266: ok 6910 266: ok 6911 266: ok 6912 266: ok 6913 266: ok 6914 266: ok 6915 266: ok 6916 266: ok 6917 266: ok 6918 266: ok 6919 266: ok 6920 266: ok 6921 266: ok 6922 266: ok 6923 266: ok 6924 266: ok 6925 266: ok 6926 266: ok 6927 266: ok 6928 266: ok 6929 266: ok 6930 266: ok 6931 266: ok 6932 266: ok 6933 266: ok 6934 266: ok 6935 266: ok 6936 266: ok 6937 266: ok 6938 266: ok 6939 266: ok 6940 266: ok 6941 266: ok 6942 266: ok 6943 266: ok 6944 266: ok 6945 266: ok 6946 266: ok 6947 266: ok 6948 266: ok 6949 266: ok 6950 266: ok 6951 266: ok 6952 266: ok 6953 266: ok 6954 266: ok 6955 266: ok 6956 266: ok 6957 266: ok 6958 266: ok 6959 266: ok 6960 266: ok 6961 266: ok 6962 266: ok 6963 266: ok 6964 266: ok 6965 266: ok 6966 266: ok 6967 266: ok 6968 266: ok 6969 266: ok 6970 266: ok 6971 266: ok 6972 266: ok 6973 266: ok 6974 266: ok 6975 266: ok 6976 266: ok 6977 266: ok 6978 266: ok 6979 266: ok 6980 266: ok 6981 266: ok 6982 266: ok 6983 266: ok 6984 266: ok 6985 266: ok 6986 266: ok 6987 266: ok 6988 266: ok 6989 266: ok 6990 266: ok 6991 266: ok 6992 266: ok 6993 266: ok 6994 266: ok 6995 266: ok 6996 266: ok 6997 266: ok 6998 266: ok 6999 266: ok 7000 266: # math: passed testEigenvalues 266: # math: entering testEigenvectors 266: ok 7001 266: ok 7002 266: ok 7003 266: ok 7004 266: ok 7005 266: ok 7006 266: ok 7007 266: ok 7008 266: ok 7009 266: ok 7010 266: ok 7011 266: ok 7012 266: ok 7013 266: ok 7014 266: ok 7015 266: ok 7016 266: ok 7017 266: ok 7018 266: ok 7019 266: ok 7020 266: ok 7021 266: ok 7022 266: ok 7023 266: ok 7024 266: ok 7025 266: ok 7026 266: ok 7027 266: ok 7028 266: ok 7029 266: ok 7030 266: ok 7031 266: ok 7032 266: ok 7033 266: ok 7034 266: ok 7035 266: ok 7036 266: ok 7037 266: ok 7038 266: ok 7039 266: ok 7040 266: ok 7041 266: ok 7042 266: ok 7043 266: ok 7044 266: ok 7045 266: ok 7046 266: ok 7047 266: ok 7048 266: ok 7049 266: ok 7050 266: ok 7051 266: ok 7052 266: ok 7053 266: ok 7054 266: ok 7055 266: ok 7056 266: ok 7057 266: ok 7058 266: ok 7059 266: ok 7060 266: ok 7061 266: ok 7062 266: ok 7063 266: ok 7064 266: ok 7065 266: ok 7066 266: ok 7067 266: ok 7068 266: ok 7069 266: ok 7070 266: ok 7071 266: ok 7072 266: ok 7073 266: ok 7074 266: ok 7075 266: ok 7076 266: ok 7077 266: ok 7078 266: ok 7079 266: ok 7080 266: ok 7081 266: ok 7082 266: ok 7083 266: ok 7084 266: ok 7085 266: ok 7086 266: ok 7087 266: ok 7088 266: ok 7089 266: ok 7090 266: ok 7091 266: ok 7092 266: ok 7093 266: ok 7094 266: ok 7095 266: ok 7096 266: ok 7097 266: ok 7098 266: ok 7099 266: ok 7100 266: ok 7101 266: ok 7102 266: ok 7103 266: ok 7104 266: ok 7105 266: ok 7106 266: ok 7107 266: ok 7108 266: ok 7109 266: ok 7110 266: ok 7111 266: ok 7112 266: ok 7113 266: ok 7114 266: ok 7115 266: ok 7116 266: ok 7117 266: ok 7118 266: ok 7119 266: ok 7120 266: ok 7121 266: ok 7122 266: ok 7123 266: ok 7124 266: ok 7125 266: ok 7126 266: ok 7127 266: ok 7128 266: ok 7129 266: ok 7130 266: ok 7131 266: ok 7132 266: ok 7133 266: ok 7134 266: ok 7135 266: ok 7136 266: ok 7137 266: ok 7138 266: ok 7139 266: ok 7140 266: ok 7141 266: ok 7142 266: ok 7143 266: ok 7144 266: ok 7145 266: ok 7146 266: ok 7147 266: ok 7148 266: ok 7149 266: ok 7150 266: ok 7151 266: ok 7152 266: ok 7153 266: ok 7154 266: ok 7155 266: ok 7156 266: ok 7157 266: ok 7158 266: ok 7159 266: ok 7160 266: ok 7161 266: ok 7162 266: ok 7163 266: ok 7164 266: ok 7165 266: ok 7166 266: ok 7167 266: ok 7168 266: ok 7169 266: ok 7170 266: ok 7171 266: ok 7172 266: ok 7173 266: ok 7174 266: ok 7175 266: ok 7176 266: ok 7177 266: ok 7178 266: ok 7179 266: ok 7180 266: ok 7181 266: ok 7182 266: ok 7183 266: ok 7184 266: ok 7185 266: ok 7186 266: ok 7187 266: ok 7188 266: ok 7189 266: ok 7190 266: ok 7191 266: ok 7192 266: ok 7193 266: ok 7194 266: ok 7195 266: ok 7196 266: ok 7197 266: ok 7198 266: ok 7199 266: ok 7200 266: ok 7201 266: ok 7202 266: ok 7203 266: ok 7204 266: ok 7205 266: ok 7206 266: ok 7207 266: ok 7208 266: ok 7209 266: ok 7210 266: ok 7211 266: ok 7212 266: ok 7213 266: ok 7214 266: ok 7215 266: ok 7216 266: ok 7217 266: ok 7218 266: ok 7219 266: ok 7220 266: ok 7221 266: ok 7222 266: ok 7223 266: ok 7224 266: ok 7225 266: ok 7226 266: ok 7227 266: ok 7228 266: ok 7229 266: ok 7230 266: ok 7231 266: ok 7232 266: ok 7233 266: ok 7234 266: ok 7235 266: ok 7236 266: ok 7237 266: ok 7238 266: ok 7239 266: ok 7240 266: ok 7241 266: ok 7242 266: ok 7243 266: ok 7244 266: ok 7245 266: ok 7246 266: ok 7247 266: ok 7248 266: ok 7249 266: ok 7250 266: ok 7251 266: ok 7252 266: ok 7253 266: ok 7254 266: ok 7255 266: ok 7256 266: ok 7257 266: ok 7258 266: ok 7259 266: ok 7260 266: ok 7261 266: ok 7262 266: ok 7263 266: ok 7264 266: ok 7265 266: ok 7266 266: ok 7267 266: ok 7268 266: ok 7269 266: ok 7270 266: ok 7271 266: ok 7272 266: ok 7273 266: ok 7274 266: ok 7275 266: ok 7276 266: ok 7277 266: ok 7278 266: ok 7279 266: ok 7280 266: ok 7281 266: ok 7282 266: ok 7283 266: ok 7284 266: ok 7285 266: ok 7286 266: ok 7287 266: ok 7288 266: ok 7289 266: ok 7290 266: ok 7291 266: ok 7292 266: ok 7293 266: ok 7294 266: ok 7295 266: ok 7296 266: ok 7297 266: ok 7298 266: ok 7299 266: ok 7300 266: ok 7301 266: ok 7302 266: ok 7303 266: ok 7304 266: ok 7305 266: ok 7306 266: ok 7307 266: ok 7308 266: ok 7309 266: ok 7310 266: ok 7311 266: ok 7312 266: ok 7313 266: ok 7314 266: ok 7315 266: ok 7316 266: ok 7317 266: ok 7318 266: ok 7319 266: ok 7320 266: ok 7321 266: ok 7322 266: ok 7323 266: ok 7324 266: ok 7325 266: ok 7326 266: ok 7327 266: ok 7328 266: ok 7329 266: ok 7330 266: ok 7331 266: ok 7332 266: ok 7333 266: ok 7334 266: ok 7335 266: ok 7336 266: ok 7337 266: ok 7338 266: ok 7339 266: ok 7340 266: ok 7341 266: ok 7342 266: ok 7343 266: ok 7344 266: ok 7345 266: ok 7346 266: ok 7347 266: ok 7348 266: ok 7349 266: ok 7350 266: ok 7351 266: ok 7352 266: ok 7353 266: ok 7354 266: ok 7355 266: ok 7356 266: ok 7357 266: ok 7358 266: ok 7359 266: ok 7360 266: ok 7361 266: ok 7362 266: ok 7363 266: ok 7364 266: ok 7365 266: ok 7366 266: ok 7367 266: ok 7368 266: ok 7369 266: ok 7370 266: ok 7371 266: ok 7372 266: ok 7373 266: ok 7374 266: ok 7375 266: ok 7376 266: ok 7377 266: ok 7378 266: ok 7379 266: ok 7380 266: ok 7381 266: ok 7382 266: ok 7383 266: ok 7384 266: ok 7385 266: ok 7386 266: ok 7387 266: ok 7388 266: ok 7389 266: ok 7390 266: ok 7391 266: ok 7392 266: ok 7393 266: ok 7394 266: ok 7395 266: ok 7396 266: ok 7397 266: ok 7398 266: ok 7399 266: ok 7400 266: ok 7401 266: ok 7402 266: ok 7403 266: ok 7404 266: ok 7405 266: ok 7406 266: ok 7407 266: ok 7408 266: ok 7409 266: ok 7410 266: ok 7411 266: ok 7412 266: ok 7413 266: ok 7414 266: ok 7415 266: ok 7416 266: ok 7417 266: ok 7418 266: ok 7419 266: ok 7420 266: ok 7421 266: ok 7422 266: ok 7423 266: ok 7424 266: ok 7425 266: ok 7426 266: ok 7427 266: ok 7428 266: ok 7429 266: ok 7430 266: ok 7431 266: ok 7432 266: ok 7433 266: ok 7434 266: ok 7435 266: ok 7436 266: ok 7437 266: ok 7438 266: ok 7439 266: ok 7440 266: ok 7441 266: ok 7442 266: ok 7443 266: ok 7444 266: ok 7445 266: ok 7446 266: ok 7447 266: ok 7448 266: ok 7449 266: ok 7450 266: ok 7451 266: ok 7452 266: ok 7453 266: ok 7454 266: ok 7455 266: ok 7456 266: ok 7457 266: ok 7458 266: ok 7459 266: ok 7460 266: ok 7461 266: ok 7462 266: ok 7463 266: ok 7464 266: ok 7465 266: ok 7466 266: ok 7467 266: ok 7468 266: ok 7469 266: ok 7470 266: ok 7471 266: ok 7472 266: ok 7473 266: ok 7474 266: ok 7475 266: ok 7476 266: ok 7477 266: ok 7478 266: ok 7479 266: ok 7480 266: ok 7481 266: ok 7482 266: ok 7483 266: ok 7484 266: ok 7485 266: ok 7486 266: ok 7487 266: ok 7488 266: ok 7489 266: ok 7490 266: ok 7491 266: ok 7492 266: ok 7493 266: ok 7494 266: ok 7495 266: ok 7496 266: ok 7497 266: ok 7498 266: ok 7499 266: ok 7500 266: ok 7501 266: ok 7502 266: ok 7503 266: ok 7504 266: ok 7505 266: ok 7506 266: ok 7507 266: ok 7508 266: ok 7509 266: ok 7510 266: ok 7511 266: ok 7512 266: ok 7513 266: ok 7514 266: ok 7515 266: ok 7516 266: ok 7517 266: ok 7518 266: ok 7519 266: ok 7520 266: ok 7521 266: ok 7522 266: ok 7523 266: ok 7524 266: ok 7525 266: ok 7526 266: ok 7527 266: ok 7528 266: ok 7529 266: ok 7530 266: ok 7531 266: ok 7532 266: ok 7533 266: ok 7534 266: ok 7535 266: ok 7536 266: ok 7537 266: ok 7538 266: ok 7539 266: ok 7540 266: ok 7541 266: ok 7542 266: ok 7543 266: ok 7544 266: ok 7545 266: ok 7546 266: ok 7547 266: ok 7548 266: ok 7549 266: ok 7550 266: ok 7551 266: ok 7552 266: ok 7553 266: ok 7554 266: ok 7555 266: ok 7556 266: ok 7557 266: ok 7558 266: ok 7559 266: ok 7560 266: ok 7561 266: ok 7562 266: ok 7563 266: ok 7564 266: ok 7565 266: ok 7566 266: ok 7567 266: ok 7568 266: ok 7569 266: ok 7570 266: ok 7571 266: ok 7572 266: ok 7573 266: ok 7574 266: ok 7575 266: ok 7576 266: ok 7577 266: ok 7578 266: ok 7579 266: ok 7580 266: ok 7581 266: ok 7582 266: ok 7583 266: ok 7584 266: ok 7585 266: ok 7586 266: ok 7587 266: ok 7588 266: ok 7589 266: ok 7590 266: ok 7591 266: ok 7592 266: ok 7593 266: ok 7594 266: ok 7595 266: ok 7596 266: ok 7597 266: ok 7598 266: ok 7599 266: ok 7600 266: ok 7601 266: ok 7602 266: ok 7603 266: ok 7604 266: ok 7605 266: ok 7606 266: ok 7607 266: ok 7608 266: ok 7609 266: ok 7610 266: ok 7611 266: ok 7612 266: ok 7613 266: ok 7614 266: ok 7615 266: ok 7616 266: ok 7617 266: ok 7618 266: ok 7619 266: ok 7620 266: ok 7621 266: ok 7622 266: ok 7623 266: ok 7624 266: ok 7625 266: ok 7626 266: ok 7627 266: ok 7628 266: ok 7629 266: ok 7630 266: ok 7631 266: ok 7632 266: ok 7633 266: ok 7634 266: ok 7635 266: ok 7636 266: ok 7637 266: ok 7638 266: ok 7639 266: ok 7640 266: ok 7641 266: ok 7642 266: ok 7643 266: ok 7644 266: ok 7645 266: ok 7646 266: ok 7647 266: ok 7648 266: ok 7649 266: ok 7650 266: ok 7651 266: ok 7652 266: ok 7653 266: ok 7654 266: ok 7655 266: ok 7656 266: ok 7657 266: ok 7658 266: ok 7659 266: ok 7660 266: ok 7661 266: ok 7662 266: ok 7663 266: ok 7664 266: ok 7665 266: ok 7666 266: ok 7667 266: ok 7668 266: ok 7669 266: ok 7670 266: ok 7671 266: ok 7672 266: ok 7673 266: ok 7674 266: ok 7675 266: ok 7676 266: ok 7677 266: ok 7678 266: ok 7679 266: ok 7680 266: ok 7681 266: ok 7682 266: ok 7683 266: ok 7684 266: ok 7685 266: ok 7686 266: ok 7687 266: ok 7688 266: ok 7689 266: ok 7690 266: ok 7691 266: ok 7692 266: ok 7693 266: ok 7694 266: ok 7695 266: ok 7696 266: ok 7697 266: ok 7698 266: ok 7699 266: ok 7700 266: ok 7701 266: ok 7702 266: ok 7703 266: ok 7704 266: ok 7705 266: ok 7706 266: ok 7707 266: ok 7708 266: ok 7709 266: ok 7710 266: ok 7711 266: ok 7712 266: ok 7713 266: ok 7714 266: ok 7715 266: ok 7716 266: ok 7717 266: ok 7718 266: ok 7719 266: ok 7720 266: ok 7721 266: ok 7722 266: ok 7723 266: ok 7724 266: ok 7725 266: ok 7726 266: ok 7727 266: ok 7728 266: ok 7729 266: ok 7730 266: ok 7731 266: ok 7732 266: ok 7733 266: ok 7734 266: ok 7735 266: ok 7736 266: ok 7737 266: ok 7738 266: ok 7739 266: ok 7740 266: ok 7741 266: ok 7742 266: ok 7743 266: ok 7744 266: ok 7745 266: ok 7746 266: ok 7747 266: ok 7748 266: ok 7749 266: ok 7750 266: ok 7751 266: ok 7752 266: ok 7753 266: ok 7754 266: ok 7755 266: ok 7756 266: ok 7757 266: ok 7758 266: ok 7759 266: ok 7760 266: ok 7761 266: ok 7762 266: ok 7763 266: ok 7764 266: ok 7765 266: ok 7766 266: ok 7767 266: ok 7768 266: ok 7769 266: ok 7770 266: ok 7771 266: ok 7772 266: ok 7773 266: ok 7774 266: ok 7775 266: ok 7776 266: ok 7777 266: ok 7778 266: ok 7779 266: ok 7780 266: ok 7781 266: ok 7782 266: ok 7783 266: ok 7784 266: ok 7785 266: ok 7786 266: ok 7787 266: ok 7788 266: ok 7789 266: ok 7790 266: ok 7791 266: ok 7792 266: ok 7793 266: ok 7794 266: ok 7795 266: ok 7796 266: ok 7797 266: ok 7798 266: ok 7799 266: ok 7800 266: ok 7801 266: ok 7802 266: ok 7803 266: ok 7804 266: ok 7805 266: ok 7806 266: ok 7807 266: ok 7808 266: ok 7809 266: ok 7810 266: ok 7811 266: ok 7812 266: ok 7813 266: ok 7814 266: ok 7815 266: ok 7816 266: ok 7817 266: ok 7818 266: ok 7819 266: ok 7820 266: ok 7821 266: ok 7822 266: ok 7823 266: ok 7824 266: ok 7825 266: ok 7826 266: ok 7827 266: ok 7828 266: ok 7829 266: ok 7830 266: ok 7831 266: ok 7832 266: ok 7833 266: ok 7834 266: ok 7835 266: ok 7836 266: ok 7837 266: ok 7838 266: ok 7839 266: ok 7840 266: ok 7841 266: ok 7842 266: ok 7843 266: ok 7844 266: ok 7845 266: ok 7846 266: ok 7847 266: ok 7848 266: ok 7849 266: ok 7850 266: ok 7851 266: ok 7852 266: ok 7853 266: ok 7854 266: ok 7855 266: ok 7856 266: ok 7857 266: ok 7858 266: ok 7859 266: ok 7860 266: ok 7861 266: ok 7862 266: ok 7863 266: ok 7864 266: ok 7865 266: ok 7866 266: ok 7867 266: ok 7868 266: ok 7869 266: ok 7870 266: ok 7871 266: ok 7872 266: ok 7873 266: ok 7874 266: ok 7875 266: ok 7876 266: ok 7877 266: ok 7878 266: ok 7879 266: ok 7880 266: ok 7881 266: ok 7882 266: ok 7883 266: ok 7884 266: ok 7885 266: ok 7886 266: ok 7887 266: ok 7888 266: ok 7889 266: ok 7890 266: ok 7891 266: ok 7892 266: ok 7893 266: ok 7894 266: ok 7895 266: ok 7896 266: ok 7897 266: ok 7898 266: ok 7899 266: ok 7900 266: ok 7901 266: ok 7902 266: ok 7903 266: ok 7904 266: ok 7905 266: ok 7906 266: ok 7907 266: ok 7908 266: ok 7909 266: ok 7910 266: ok 7911 266: ok 7912 266: ok 7913 266: ok 7914 266: ok 7915 266: ok 7916 266: ok 7917 266: ok 7918 266: ok 7919 266: ok 7920 266: ok 7921 266: ok 7922 266: ok 7923 266: ok 7924 266: ok 7925 266: ok 7926 266: ok 7927 266: ok 7928 266: ok 7929 266: ok 7930 266: ok 7931 266: ok 7932 266: ok 7933 266: ok 7934 266: ok 7935 266: ok 7936 266: ok 7937 266: ok 7938 266: ok 7939 266: ok 7940 266: ok 7941 266: ok 7942 266: ok 7943 266: ok 7944 266: ok 7945 266: ok 7946 266: ok 7947 266: ok 7948 266: ok 7949 266: ok 7950 266: ok 7951 266: ok 7952 266: ok 7953 266: ok 7954 266: ok 7955 266: ok 7956 266: ok 7957 266: ok 7958 266: ok 7959 266: ok 7960 266: ok 7961 266: ok 7962 266: ok 7963 266: ok 7964 266: ok 7965 266: ok 7966 266: ok 7967 266: ok 7968 266: ok 7969 266: ok 7970 266: ok 7971 266: ok 7972 266: ok 7973 266: ok 7974 266: ok 7975 266: ok 7976 266: ok 7977 266: ok 7978 266: ok 7979 266: ok 7980 266: ok 7981 266: ok 7982 266: ok 7983 266: ok 7984 266: ok 7985 266: ok 7986 266: ok 7987 266: ok 7988 266: ok 7989 266: ok 7990 266: ok 7991 266: ok 7992 266: ok 7993 266: ok 7994 266: ok 7995 266: ok 7996 266: ok 7997 266: ok 7998 266: ok 7999 266: ok 8000 266: ok 8001 266: ok 8002 266: ok 8003 266: ok 8004 266: ok 8005 266: ok 8006 266: ok 8007 266: ok 8008 266: ok 8009 266: ok 8010 266: ok 8011 266: ok 8012 266: ok 8013 266: ok 8014 266: ok 8015 266: ok 8016 266: ok 8017 266: ok 8018 266: ok 8019 266: ok 8020 266: ok 8021 266: ok 8022 266: ok 8023 266: ok 8024 266: ok 8025 266: ok 8026 266: ok 8027 266: ok 8028 266: ok 8029 266: ok 8030 266: ok 8031 266: ok 8032 266: ok 8033 266: ok 8034 266: ok 8035 266: ok 8036 266: ok 8037 266: ok 8038 266: ok 8039 266: ok 8040 266: ok 8041 266: ok 8042 266: ok 8043 266: ok 8044 266: ok 8045 266: ok 8046 266: ok 8047 266: ok 8048 266: ok 8049 266: ok 8050 266: ok 8051 266: ok 8052 266: ok 8053 266: ok 8054 266: ok 8055 266: ok 8056 266: ok 8057 266: ok 8058 266: ok 8059 266: ok 8060 266: ok 8061 266: ok 8062 266: ok 8063 266: ok 8064 266: ok 8065 266: ok 8066 266: ok 8067 266: ok 8068 266: ok 8069 266: ok 8070 266: ok 8071 266: ok 8072 266: ok 8073 266: ok 8074 266: ok 8075 266: ok 8076 266: ok 8077 266: ok 8078 266: ok 8079 266: ok 8080 266: ok 8081 266: ok 8082 266: ok 8083 266: ok 8084 266: ok 8085 266: ok 8086 266: ok 8087 266: ok 8088 266: ok 8089 266: ok 8090 266: ok 8091 266: ok 8092 266: ok 8093 266: ok 8094 266: ok 8095 266: ok 8096 266: ok 8097 266: ok 8098 266: ok 8099 266: ok 8100 266: ok 8101 266: ok 8102 266: ok 8103 266: ok 8104 266: ok 8105 266: ok 8106 266: ok 8107 266: ok 8108 266: ok 8109 266: ok 8110 266: ok 8111 266: ok 8112 266: ok 8113 266: ok 8114 266: ok 8115 266: ok 8116 266: ok 8117 266: ok 8118 266: ok 8119 266: ok 8120 266: ok 8121 266: ok 8122 266: ok 8123 266: ok 8124 266: ok 8125 266: ok 8126 266: ok 8127 266: ok 8128 266: ok 8129 266: ok 8130 266: ok 8131 266: ok 8132 266: ok 8133 266: ok 8134 266: ok 8135 266: ok 8136 266: ok 8137 266: ok 8138 266: ok 8139 266: ok 8140 266: ok 8141 266: ok 8142 266: ok 8143 266: ok 8144 266: ok 8145 266: ok 8146 266: ok 8147 266: ok 8148 266: ok 8149 266: ok 8150 266: ok 8151 266: ok 8152 266: ok 8153 266: ok 8154 266: ok 8155 266: ok 8156 266: ok 8157 266: ok 8158 266: ok 8159 266: ok 8160 266: ok 8161 266: ok 8162 266: ok 8163 266: ok 8164 266: ok 8165 266: ok 8166 266: ok 8167 266: ok 8168 266: ok 8169 266: ok 8170 266: ok 8171 266: ok 8172 266: ok 8173 266: ok 8174 266: ok 8175 266: ok 8176 266: ok 8177 266: ok 8178 266: ok 8179 266: ok 8180 266: ok 8181 266: ok 8182 266: ok 8183 266: ok 8184 266: ok 8185 266: ok 8186 266: ok 8187 266: ok 8188 266: ok 8189 266: ok 8190 266: ok 8191 266: ok 8192 266: ok 8193 266: ok 8194 266: ok 8195 266: ok 8196 266: ok 8197 266: ok 8198 266: ok 8199 266: ok 8200 266: ok 8201 266: ok 8202 266: ok 8203 266: ok 8204 266: ok 8205 266: ok 8206 266: ok 8207 266: ok 8208 266: ok 8209 266: ok 8210 266: ok 8211 266: ok 8212 266: ok 8213 266: ok 8214 266: ok 8215 266: ok 8216 266: ok 8217 266: ok 8218 266: ok 8219 266: ok 8220 266: ok 8221 266: ok 8222 266: ok 8223 266: ok 8224 266: ok 8225 266: ok 8226 266: ok 8227 266: ok 8228 266: ok 8229 266: ok 8230 266: ok 8231 266: ok 8232 266: ok 8233 266: ok 8234 266: ok 8235 266: ok 8236 266: ok 8237 266: ok 8238 266: ok 8239 266: ok 8240 266: ok 8241 266: ok 8242 266: ok 8243 266: ok 8244 266: ok 8245 266: ok 8246 266: ok 8247 266: ok 8248 266: ok 8249 266: ok 8250 266: ok 8251 266: ok 8252 266: ok 8253 266: ok 8254 266: ok 8255 266: ok 8256 266: ok 8257 266: ok 8258 266: ok 8259 266: ok 8260 266: ok 8261 266: ok 8262 266: ok 8263 266: ok 8264 266: ok 8265 266: ok 8266 266: ok 8267 266: ok 8268 266: ok 8269 266: ok 8270 266: ok 8271 266: ok 8272 266: ok 8273 266: ok 8274 266: ok 8275 266: ok 8276 266: ok 8277 266: ok 8278 266: ok 8279 266: ok 8280 266: ok 8281 266: ok 8282 266: ok 8283 266: ok 8284 266: ok 8285 266: ok 8286 266: ok 8287 266: ok 8288 266: ok 8289 266: ok 8290 266: ok 8291 266: ok 8292 266: ok 8293 266: ok 8294 266: ok 8295 266: ok 8296 266: ok 8297 266: ok 8298 266: ok 8299 266: ok 8300 266: ok 8301 266: ok 8302 266: ok 8303 266: ok 8304 266: ok 8305 266: ok 8306 266: ok 8307 266: ok 8308 266: ok 8309 266: ok 8310 266: ok 8311 266: ok 8312 266: ok 8313 266: ok 8314 266: ok 8315 266: ok 8316 266: ok 8317 266: ok 8318 266: ok 8319 266: ok 8320 266: ok 8321 266: ok 8322 266: ok 8323 266: ok 8324 266: ok 8325 266: ok 8326 266: ok 8327 266: ok 8328 266: ok 8329 266: ok 8330 266: ok 8331 266: ok 8332 266: ok 8333 266: ok 8334 266: ok 8335 266: ok 8336 266: ok 8337 266: ok 8338 266: ok 8339 266: ok 8340 266: ok 8341 266: ok 8342 266: ok 8343 266: ok 8344 266: ok 8345 266: ok 8346 266: ok 8347 266: ok 8348 266: ok 8349 266: ok 8350 266: ok 8351 266: ok 8352 266: ok 8353 266: ok 8354 266: ok 8355 266: ok 8356 266: ok 8357 266: ok 8358 266: ok 8359 266: ok 8360 266: ok 8361 266: ok 8362 266: ok 8363 266: ok 8364 266: ok 8365 266: ok 8366 266: ok 8367 266: ok 8368 266: ok 8369 266: ok 8370 266: ok 8371 266: ok 8372 266: ok 8373 266: ok 8374 266: ok 8375 266: ok 8376 266: ok 8377 266: ok 8378 266: ok 8379 266: ok 8380 266: ok 8381 266: ok 8382 266: ok 8383 266: ok 8384 266: ok 8385 266: ok 8386 266: ok 8387 266: ok 8388 266: ok 8389 266: ok 8390 266: ok 8391 266: ok 8392 266: ok 8393 266: ok 8394 266: ok 8395 266: ok 8396 266: ok 8397 266: ok 8398 266: ok 8399 266: ok 8400 266: ok 8401 266: ok 8402 266: ok 8403 266: ok 8404 266: ok 8405 266: ok 8406 266: ok 8407 266: ok 8408 266: ok 8409 266: ok 8410 266: ok 8411 266: ok 8412 266: ok 8413 266: ok 8414 266: ok 8415 266: ok 8416 266: ok 8417 266: ok 8418 266: ok 8419 266: ok 8420 266: ok 8421 266: ok 8422 266: ok 8423 266: ok 8424 266: ok 8425 266: ok 8426 266: ok 8427 266: ok 8428 266: ok 8429 266: ok 8430 266: ok 8431 266: ok 8432 266: ok 8433 266: ok 8434 266: ok 8435 266: ok 8436 266: ok 8437 266: ok 8438 266: ok 8439 266: ok 8440 266: ok 8441 266: ok 8442 266: ok 8443 266: ok 8444 266: ok 8445 266: ok 8446 266: ok 8447 266: ok 8448 266: ok 8449 266: ok 8450 266: ok 8451 266: ok 8452 266: ok 8453 266: ok 8454 266: ok 8455 266: ok 8456 266: ok 8457 266: ok 8458 266: ok 8459 266: ok 8460 266: ok 8461 266: ok 8462 266: ok 8463 266: ok 8464 266: ok 8465 266: ok 8466 266: ok 8467 266: ok 8468 266: ok 8469 266: ok 8470 266: ok 8471 266: ok 8472 266: ok 8473 266: ok 8474 266: ok 8475 266: ok 8476 266: ok 8477 266: ok 8478 266: ok 8479 266: ok 8480 266: ok 8481 266: ok 8482 266: ok 8483 266: ok 8484 266: ok 8485 266: ok 8486 266: ok 8487 266: ok 8488 266: ok 8489 266: ok 8490 266: ok 8491 266: ok 8492 266: ok 8493 266: ok 8494 266: ok 8495 266: ok 8496 266: ok 8497 266: ok 8498 266: ok 8499 266: ok 8500 266: ok 8501 266: ok 8502 266: ok 8503 266: ok 8504 266: ok 8505 266: ok 8506 266: ok 8507 266: ok 8508 266: ok 8509 266: ok 8510 266: ok 8511 266: ok 8512 266: ok 8513 266: ok 8514 266: ok 8515 266: ok 8516 266: ok 8517 266: ok 8518 266: ok 8519 266: ok 8520 266: ok 8521 266: ok 8522 266: ok 8523 266: ok 8524 266: ok 8525 266: ok 8526 266: ok 8527 266: ok 8528 266: ok 8529 266: ok 8530 266: ok 8531 266: ok 8532 266: ok 8533 266: ok 8534 266: ok 8535 266: ok 8536 266: ok 8537 266: ok 8538 266: ok 8539 266: ok 8540 266: ok 8541 266: ok 8542 266: ok 8543 266: ok 8544 266: ok 8545 266: ok 8546 266: ok 8547 266: ok 8548 266: ok 8549 266: ok 8550 266: ok 8551 266: ok 8552 266: ok 8553 266: ok 8554 266: ok 8555 266: ok 8556 266: ok 8557 266: ok 8558 266: ok 8559 266: ok 8560 266: ok 8561 266: ok 8562 266: ok 8563 266: ok 8564 266: ok 8565 266: ok 8566 266: ok 8567 266: ok 8568 266: ok 8569 266: ok 8570 266: ok 8571 266: ok 8572 266: ok 8573 266: ok 8574 266: ok 8575 266: ok 8576 266: ok 8577 266: ok 8578 266: ok 8579 266: ok 8580 266: ok 8581 266: ok 8582 266: ok 8583 266: ok 8584 266: ok 8585 266: ok 8586 266: ok 8587 266: ok 8588 266: ok 8589 266: ok 8590 266: ok 8591 266: ok 8592 266: ok 8593 266: ok 8594 266: ok 8595 266: ok 8596 266: ok 8597 266: ok 8598 266: ok 8599 266: ok 8600 266: ok 8601 266: ok 8602 266: ok 8603 266: ok 8604 266: ok 8605 266: ok 8606 266: ok 8607 266: ok 8608 266: ok 8609 266: ok 8610 266: ok 8611 266: ok 8612 266: ok 8613 266: ok 8614 266: ok 8615 266: ok 8616 266: ok 8617 266: ok 8618 266: ok 8619 266: ok 8620 266: ok 8621 266: ok 8622 266: ok 8623 266: ok 8624 266: ok 8625 266: ok 8626 266: ok 8627 266: ok 8628 266: ok 8629 266: ok 8630 266: ok 8631 266: ok 8632 266: ok 8633 266: ok 8634 266: ok 8635 266: ok 8636 266: ok 8637 266: ok 8638 266: ok 8639 266: ok 8640 266: ok 8641 266: ok 8642 266: ok 8643 266: ok 8644 266: ok 8645 266: ok 8646 266: ok 8647 266: ok 8648 266: ok 8649 266: ok 8650 266: ok 8651 266: ok 8652 266: ok 8653 266: ok 8654 266: ok 8655 266: ok 8656 266: ok 8657 266: ok 8658 266: ok 8659 266: ok 8660 266: ok 8661 266: ok 8662 266: ok 8663 266: ok 8664 266: ok 8665 266: ok 8666 266: ok 8667 266: ok 8668 266: ok 8669 266: ok 8670 266: ok 8671 266: ok 8672 266: ok 8673 266: ok 8674 266: ok 8675 266: ok 8676 266: ok 8677 266: ok 8678 266: ok 8679 266: ok 8680 266: ok 8681 266: ok 8682 266: ok 8683 266: ok 8684 266: ok 8685 266: ok 8686 266: ok 8687 266: ok 8688 266: ok 8689 266: ok 8690 266: ok 8691 266: ok 8692 266: ok 8693 266: ok 8694 266: ok 8695 266: ok 8696 266: ok 8697 266: ok 8698 266: ok 8699 266: ok 8700 266: ok 8701 266: ok 8702 266: ok 8703 266: ok 8704 266: ok 8705 266: ok 8706 266: ok 8707 266: ok 8708 266: ok 8709 266: ok 8710 266: ok 8711 266: ok 8712 266: ok 8713 266: ok 8714 266: ok 8715 266: ok 8716 266: ok 8717 266: ok 8718 266: ok 8719 266: ok 8720 266: ok 8721 266: ok 8722 266: ok 8723 266: ok 8724 266: ok 8725 266: ok 8726 266: ok 8727 266: ok 8728 266: ok 8729 266: ok 8730 266: ok 8731 266: ok 8732 266: ok 8733 266: ok 8734 266: ok 8735 266: ok 8736 266: ok 8737 266: ok 8738 266: ok 8739 266: ok 8740 266: ok 8741 266: ok 8742 266: ok 8743 266: ok 8744 266: ok 8745 266: ok 8746 266: ok 8747 266: ok 8748 266: ok 8749 266: ok 8750 266: ok 8751 266: ok 8752 266: ok 8753 266: ok 8754 266: ok 8755 266: ok 8756 266: ok 8757 266: ok 8758 266: ok 8759 266: ok 8760 266: ok 8761 266: ok 8762 266: ok 8763 266: ok 8764 266: ok 8765 266: ok 8766 266: ok 8767 266: ok 8768 266: ok 8769 266: ok 8770 266: ok 8771 266: ok 8772 266: ok 8773 266: ok 8774 266: ok 8775 266: ok 8776 266: ok 8777 266: ok 8778 266: ok 8779 266: ok 8780 266: ok 8781 266: ok 8782 266: ok 8783 266: ok 8784 266: ok 8785 266: ok 8786 266: ok 8787 266: ok 8788 266: ok 8789 266: ok 8790 266: ok 8791 266: ok 8792 266: ok 8793 266: ok 8794 266: ok 8795 266: ok 8796 266: ok 8797 266: ok 8798 266: ok 8799 266: ok 8800 266: ok 8801 266: ok 8802 266: ok 8803 266: ok 8804 266: ok 8805 266: ok 8806 266: ok 8807 266: ok 8808 266: ok 8809 266: ok 8810 266: ok 8811 266: ok 8812 266: ok 8813 266: ok 8814 266: ok 8815 266: ok 8816 266: ok 8817 266: ok 8818 266: ok 8819 266: ok 8820 266: ok 8821 266: ok 8822 266: ok 8823 266: ok 8824 266: ok 8825 266: ok 8826 266: ok 8827 266: ok 8828 266: ok 8829 266: ok 8830 266: ok 8831 266: ok 8832 266: ok 8833 266: ok 8834 266: ok 8835 266: ok 8836 266: ok 8837 266: ok 8838 266: ok 8839 266: ok 8840 266: ok 8841 266: ok 8842 266: ok 8843 266: ok 8844 266: ok 8845 266: ok 8846 266: ok 8847 266: ok 8848 266: ok 8849 266: ok 8850 266: ok 8851 266: ok 8852 266: ok 8853 266: ok 8854 266: ok 8855 266: ok 8856 266: ok 8857 266: ok 8858 266: ok 8859 266: ok 8860 266: ok 8861 266: ok 8862 266: ok 8863 266: ok 8864 266: ok 8865 266: ok 8866 266: ok 8867 266: ok 8868 266: ok 8869 266: ok 8870 266: ok 8871 266: ok 8872 266: ok 8873 266: ok 8874 266: ok 8875 266: ok 8876 266: ok 8877 266: ok 8878 266: ok 8879 266: ok 8880 266: ok 8881 266: ok 8882 266: ok 8883 266: ok 8884 266: ok 8885 266: ok 8886 266: ok 8887 266: ok 8888 266: ok 8889 266: ok 8890 266: ok 8891 266: ok 8892 266: ok 8893 266: ok 8894 266: ok 8895 266: ok 8896 266: ok 8897 266: ok 8898 266: ok 8899 266: ok 8900 266: ok 8901 266: ok 8902 266: ok 8903 266: ok 8904 266: ok 8905 266: ok 8906 266: ok 8907 266: ok 8908 266: ok 8909 266: ok 8910 266: ok 8911 266: ok 8912 266: ok 8913 266: ok 8914 266: ok 8915 266: ok 8916 266: ok 8917 266: ok 8918 266: ok 8919 266: ok 8920 266: ok 8921 266: ok 8922 266: ok 8923 266: ok 8924 266: ok 8925 266: ok 8926 266: ok 8927 266: ok 8928 266: ok 8929 266: ok 8930 266: ok 8931 266: ok 8932 266: ok 8933 266: ok 8934 266: ok 8935 266: ok 8936 266: ok 8937 266: ok 8938 266: ok 8939 266: ok 8940 266: ok 8941 266: ok 8942 266: ok 8943 266: ok 8944 266: ok 8945 266: ok 8946 266: ok 8947 266: ok 8948 266: ok 8949 266: ok 8950 266: ok 8951 266: ok 8952 266: ok 8953 266: ok 8954 266: ok 8955 266: ok 8956 266: ok 8957 266: ok 8958 266: ok 8959 266: ok 8960 266: ok 8961 266: ok 8962 266: ok 8963 266: ok 8964 266: ok 8965 266: ok 8966 266: ok 8967 266: ok 8968 266: ok 8969 266: ok 8970 266: ok 8971 266: ok 8972 266: ok 8973 266: ok 8974 266: ok 8975 266: ok 8976 266: ok 8977 266: ok 8978 266: ok 8979 266: ok 8980 266: ok 8981 266: ok 8982 266: ok 8983 266: ok 8984 266: ok 8985 266: ok 8986 266: ok 8987 266: ok 8988 266: ok 8989 266: ok 8990 266: ok 8991 266: ok 8992 266: ok 8993 266: ok 8994 266: ok 8995 266: ok 8996 266: ok 8997 266: ok 8998 266: ok 8999 266: ok 9000 266: ok 9001 266: ok 9002 266: ok 9003 266: ok 9004 266: ok 9005 266: ok 9006 266: ok 9007 266: ok 9008 266: ok 9009 266: ok 9010 266: ok 9011 266: ok 9012 266: ok 9013 266: ok 9014 266: ok 9015 266: ok 9016 266: ok 9017 266: ok 9018 266: ok 9019 266: ok 9020 266: ok 9021 266: ok 9022 266: ok 9023 266: ok 9024 266: ok 9025 266: ok 9026 266: ok 9027 266: ok 9028 266: ok 9029 266: ok 9030 266: ok 9031 266: ok 9032 266: ok 9033 266: ok 9034 266: ok 9035 266: ok 9036 266: ok 9037 266: ok 9038 266: ok 9039 266: ok 9040 266: ok 9041 266: ok 9042 266: ok 9043 266: ok 9044 266: ok 9045 266: ok 9046 266: ok 9047 266: ok 9048 266: ok 9049 266: ok 9050 266: ok 9051 266: ok 9052 266: ok 9053 266: ok 9054 266: ok 9055 266: ok 9056 266: ok 9057 266: ok 9058 266: ok 9059 266: ok 9060 266: ok 9061 266: ok 9062 266: ok 9063 266: ok 9064 266: ok 9065 266: ok 9066 266: ok 9067 266: ok 9068 266: ok 9069 266: ok 9070 266: ok 9071 266: ok 9072 266: ok 9073 266: ok 9074 266: ok 9075 266: ok 9076 266: ok 9077 266: ok 9078 266: ok 9079 266: ok 9080 266: ok 9081 266: ok 9082 266: ok 9083 266: ok 9084 266: ok 9085 266: ok 9086 266: ok 9087 266: ok 9088 266: ok 9089 266: ok 9090 266: ok 9091 266: ok 9092 266: ok 9093 266: ok 9094 266: ok 9095 266: ok 9096 266: ok 9097 266: ok 9098 266: ok 9099 266: ok 9100 266: ok 9101 266: ok 9102 266: ok 9103 266: ok 9104 266: ok 9105 266: ok 9106 266: ok 9107 266: ok 9108 266: ok 9109 266: ok 9110 266: ok 9111 266: ok 9112 266: ok 9113 266: ok 9114 266: ok 9115 266: ok 9116 266: ok 9117 266: ok 9118 266: ok 9119 266: ok 9120 266: ok 9121 266: ok 9122 266: ok 9123 266: ok 9124 266: ok 9125 266: ok 9126 266: ok 9127 266: ok 9128 266: ok 9129 266: ok 9130 266: ok 9131 266: ok 9132 266: ok 9133 266: ok 9134 266: ok 9135 266: ok 9136 266: ok 9137 266: ok 9138 266: ok 9139 266: ok 9140 266: ok 9141 266: ok 9142 266: ok 9143 266: ok 9144 266: ok 9145 266: ok 9146 266: ok 9147 266: ok 9148 266: ok 9149 266: ok 9150 266: ok 9151 266: ok 9152 266: ok 9153 266: ok 9154 266: ok 9155 266: ok 9156 266: ok 9157 266: ok 9158 266: ok 9159 266: ok 9160 266: ok 9161 266: ok 9162 266: ok 9163 266: ok 9164 266: ok 9165 266: ok 9166 266: ok 9167 266: ok 9168 266: ok 9169 266: ok 9170 266: ok 9171 266: ok 9172 266: ok 9173 266: ok 9174 266: ok 9175 266: ok 9176 266: ok 9177 266: ok 9178 266: ok 9179 266: ok 9180 266: ok 9181 266: ok 9182 266: ok 9183 266: ok 9184 266: ok 9185 266: ok 9186 266: ok 9187 266: ok 9188 266: ok 9189 266: ok 9190 266: ok 9191 266: ok 9192 266: ok 9193 266: ok 9194 266: ok 9195 266: ok 9196 266: ok 9197 266: ok 9198 266: ok 9199 266: ok 9200 266: ok 9201 266: ok 9202 266: ok 9203 266: ok 9204 266: ok 9205 266: ok 9206 266: ok 9207 266: ok 9208 266: ok 9209 266: ok 9210 266: ok 9211 266: ok 9212 266: ok 9213 266: ok 9214 266: ok 9215 266: ok 9216 266: ok 9217 266: ok 9218 266: ok 9219 266: ok 9220 266: ok 9221 266: ok 9222 266: ok 9223 266: ok 9224 266: ok 9225 266: ok 9226 266: ok 9227 266: ok 9228 266: ok 9229 266: ok 9230 266: ok 9231 266: ok 9232 266: ok 9233 266: ok 9234 266: ok 9235 266: ok 9236 266: ok 9237 266: ok 9238 266: ok 9239 266: ok 9240 266: ok 9241 266: ok 9242 266: ok 9243 266: ok 9244 266: ok 9245 266: ok 9246 266: ok 9247 266: ok 9248 266: ok 9249 266: ok 9250 266: ok 9251 266: ok 9252 266: ok 9253 266: ok 9254 266: ok 9255 266: ok 9256 266: ok 9257 266: ok 9258 266: ok 9259 266: ok 9260 266: ok 9261 266: ok 9262 266: ok 9263 266: ok 9264 266: ok 9265 266: ok 9266 266: ok 9267 266: ok 9268 266: ok 9269 266: ok 9270 266: ok 9271 266: ok 9272 266: ok 9273 266: ok 9274 266: ok 9275 266: ok 9276 266: ok 9277 266: ok 9278 266: ok 9279 266: ok 9280 266: ok 9281 266: ok 9282 266: ok 9283 266: ok 9284 266: ok 9285 266: ok 9286 266: ok 9287 266: ok 9288 266: ok 9289 266: ok 9290 266: ok 9291 266: ok 9292 266: ok 9293 266: ok 9294 266: ok 9295 266: ok 9296 266: ok 9297 266: ok 9298 266: ok 9299 266: ok 9300 266: ok 9301 266: ok 9302 266: ok 9303 266: ok 9304 266: ok 9305 266: ok 9306 266: ok 9307 266: ok 9308 266: ok 9309 266: ok 9310 266: ok 9311 266: ok 9312 266: ok 9313 266: ok 9314 266: ok 9315 266: ok 9316 266: ok 9317 266: ok 9318 266: ok 9319 266: ok 9320 266: ok 9321 266: ok 9322 266: ok 9323 266: ok 9324 266: ok 9325 266: ok 9326 266: ok 9327 266: ok 9328 266: ok 9329 266: ok 9330 266: ok 9331 266: ok 9332 266: ok 9333 266: ok 9334 266: ok 9335 266: ok 9336 266: ok 9337 266: ok 9338 266: ok 9339 266: ok 9340 266: ok 9341 266: ok 9342 266: ok 9343 266: ok 9344 266: ok 9345 266: ok 9346 266: ok 9347 266: ok 9348 266: ok 9349 266: ok 9350 266: ok 9351 266: ok 9352 266: ok 9353 266: ok 9354 266: ok 9355 266: ok 9356 266: ok 9357 266: ok 9358 266: ok 9359 266: ok 9360 266: ok 9361 266: ok 9362 266: ok 9363 266: ok 9364 266: ok 9365 266: ok 9366 266: ok 9367 266: ok 9368 266: ok 9369 266: ok 9370 266: ok 9371 266: ok 9372 266: ok 9373 266: ok 9374 266: ok 9375 266: ok 9376 266: ok 9377 266: ok 9378 266: ok 9379 266: ok 9380 266: ok 9381 266: ok 9382 266: ok 9383 266: ok 9384 266: ok 9385 266: ok 9386 266: ok 9387 266: ok 9388 266: ok 9389 266: ok 9390 266: ok 9391 266: ok 9392 266: ok 9393 266: ok 9394 266: ok 9395 266: ok 9396 266: ok 9397 266: ok 9398 266: ok 9399 266: ok 9400 266: ok 9401 266: ok 9402 266: ok 9403 266: ok 9404 266: ok 9405 266: ok 9406 266: ok 9407 266: ok 9408 266: ok 9409 266: ok 9410 266: ok 9411 266: ok 9412 266: ok 9413 266: ok 9414 266: ok 9415 266: ok 9416 266: ok 9417 266: ok 9418 266: ok 9419 266: ok 9420 266: ok 9421 266: ok 9422 266: ok 9423 266: ok 9424 266: ok 9425 266: ok 9426 266: ok 9427 266: ok 9428 266: ok 9429 266: ok 9430 266: ok 9431 266: ok 9432 266: ok 9433 266: ok 9434 266: ok 9435 266: ok 9436 266: ok 9437 266: ok 9438 266: ok 9439 266: ok 9440 266: ok 9441 266: ok 9442 266: ok 9443 266: ok 9444 266: ok 9445 266: ok 9446 266: ok 9447 266: ok 9448 266: ok 9449 266: ok 9450 266: ok 9451 266: ok 9452 266: ok 9453 266: ok 9454 266: ok 9455 266: ok 9456 266: ok 9457 266: ok 9458 266: ok 9459 266: ok 9460 266: ok 9461 266: ok 9462 266: ok 9463 266: ok 9464 266: ok 9465 266: ok 9466 266: ok 9467 266: ok 9468 266: ok 9469 266: ok 9470 266: ok 9471 266: ok 9472 266: ok 9473 266: ok 9474 266: ok 9475 266: ok 9476 266: ok 9477 266: ok 9478 266: ok 9479 266: ok 9480 266: ok 9481 266: ok 9482 266: ok 9483 266: ok 9484 266: ok 9485 266: ok 9486 266: ok 9487 266: ok 9488 266: ok 9489 266: ok 9490 266: ok 9491 266: ok 9492 266: ok 9493 266: ok 9494 266: ok 9495 266: ok 9496 266: ok 9497 266: ok 9498 266: ok 9499 266: ok 9500 266: ok 9501 266: ok 9502 266: ok 9503 266: ok 9504 266: ok 9505 266: ok 9506 266: ok 9507 266: ok 9508 266: ok 9509 266: ok 9510 266: ok 9511 266: ok 9512 266: ok 9513 266: ok 9514 266: ok 9515 266: ok 9516 266: ok 9517 266: ok 9518 266: ok 9519 266: ok 9520 266: ok 9521 266: ok 9522 266: ok 9523 266: ok 9524 266: ok 9525 266: ok 9526 266: ok 9527 266: ok 9528 266: ok 9529 266: ok 9530 266: ok 9531 266: ok 9532 266: ok 9533 266: ok 9534 266: ok 9535 266: ok 9536 266: ok 9537 266: ok 9538 266: ok 9539 266: ok 9540 266: ok 9541 266: ok 9542 266: ok 9543 266: ok 9544 266: ok 9545 266: ok 9546 266: ok 9547 266: ok 9548 266: ok 9549 266: ok 9550 266: ok 9551 266: ok 9552 266: ok 9553 266: ok 9554 266: ok 9555 266: ok 9556 266: ok 9557 266: ok 9558 266: ok 9559 266: ok 9560 266: ok 9561 266: ok 9562 266: ok 9563 266: ok 9564 266: ok 9565 266: ok 9566 266: ok 9567 266: ok 9568 266: ok 9569 266: ok 9570 266: ok 9571 266: ok 9572 266: ok 9573 266: ok 9574 266: ok 9575 266: ok 9576 266: ok 9577 266: ok 9578 266: ok 9579 266: ok 9580 266: ok 9581 266: ok 9582 266: ok 9583 266: ok 9584 266: ok 9585 266: ok 9586 266: ok 9587 266: ok 9588 266: ok 9589 266: ok 9590 266: ok 9591 266: ok 9592 266: ok 9593 266: ok 9594 266: ok 9595 266: ok 9596 266: ok 9597 266: ok 9598 266: ok 9599 266: ok 9600 266: ok 9601 266: ok 9602 266: ok 9603 266: ok 9604 266: ok 9605 266: ok 9606 266: ok 9607 266: ok 9608 266: ok 9609 266: ok 9610 266: ok 9611 266: ok 9612 266: ok 9613 266: ok 9614 266: ok 9615 266: ok 9616 266: ok 9617 266: ok 9618 266: ok 9619 266: ok 9620 266: ok 9621 266: ok 9622 266: ok 9623 266: ok 9624 266: ok 9625 266: ok 9626 266: ok 9627 266: ok 9628 266: ok 9629 266: ok 9630 266: ok 9631 266: ok 9632 266: ok 9633 266: ok 9634 266: ok 9635 266: ok 9636 266: ok 9637 266: ok 9638 266: ok 9639 266: ok 9640 266: ok 9641 266: ok 9642 266: ok 9643 266: ok 9644 266: ok 9645 266: ok 9646 266: ok 9647 266: ok 9648 266: ok 9649 266: ok 9650 266: ok 9651 266: ok 9652 266: ok 9653 266: ok 9654 266: ok 9655 266: ok 9656 266: ok 9657 266: ok 9658 266: ok 9659 266: ok 9660 266: ok 9661 266: ok 9662 266: ok 9663 266: ok 9664 266: ok 9665 266: ok 9666 266: ok 9667 266: ok 9668 266: ok 9669 266: ok 9670 266: ok 9671 266: ok 9672 266: ok 9673 266: ok 9674 266: ok 9675 266: ok 9676 266: ok 9677 266: ok 9678 266: ok 9679 266: ok 9680 266: ok 9681 266: ok 9682 266: ok 9683 266: ok 9684 266: ok 9685 266: ok 9686 266: ok 9687 266: ok 9688 266: ok 9689 266: ok 9690 266: ok 9691 266: ok 9692 266: ok 9693 266: ok 9694 266: ok 9695 266: ok 9696 266: ok 9697 266: ok 9698 266: ok 9699 266: ok 9700 266: ok 9701 266: ok 9702 266: ok 9703 266: ok 9704 266: ok 9705 266: ok 9706 266: ok 9707 266: ok 9708 266: ok 9709 266: ok 9710 266: ok 9711 266: ok 9712 266: ok 9713 266: ok 9714 266: ok 9715 266: ok 9716 266: ok 9717 266: ok 9718 266: ok 9719 266: ok 9720 266: ok 9721 266: ok 9722 266: ok 9723 266: ok 9724 266: ok 9725 266: ok 9726 266: ok 9727 266: ok 9728 266: ok 9729 266: ok 9730 266: ok 9731 266: ok 9732 266: ok 9733 266: ok 9734 266: ok 9735 266: ok 9736 266: ok 9737 266: ok 9738 266: ok 9739 266: ok 9740 266: ok 9741 266: ok 9742 266: ok 9743 266: ok 9744 266: ok 9745 266: ok 9746 266: ok 9747 266: ok 9748 266: ok 9749 266: ok 9750 266: ok 9751 266: ok 9752 266: ok 9753 266: ok 9754 266: ok 9755 266: ok 9756 266: ok 9757 266: ok 9758 266: ok 9759 266: ok 9760 266: ok 9761 266: ok 9762 266: ok 9763 266: ok 9764 266: ok 9765 266: ok 9766 266: ok 9767 266: ok 9768 266: ok 9769 266: ok 9770 266: ok 9771 266: ok 9772 266: ok 9773 266: ok 9774 266: ok 9775 266: ok 9776 266: ok 9777 266: ok 9778 266: ok 9779 266: ok 9780 266: ok 9781 266: ok 9782 266: ok 9783 266: ok 9784 266: ok 9785 266: ok 9786 266: ok 9787 266: ok 9788 266: ok 9789 266: ok 9790 266: ok 9791 266: ok 9792 266: ok 9793 266: ok 9794 266: ok 9795 266: ok 9796 266: ok 9797 266: ok 9798 266: ok 9799 266: ok 9800 266: ok 9801 266: ok 9802 266: ok 9803 266: ok 9804 266: ok 9805 266: ok 9806 266: ok 9807 266: ok 9808 266: ok 9809 266: ok 9810 266: ok 9811 266: ok 9812 266: ok 9813 266: ok 9814 266: ok 9815 266: ok 9816 266: ok 9817 266: ok 9818 266: ok 9819 266: ok 9820 266: ok 9821 266: ok 9822 266: ok 9823 266: ok 9824 266: ok 9825 266: ok 9826 266: ok 9827 266: ok 9828 266: ok 9829 266: ok 9830 266: ok 9831 266: ok 9832 266: ok 9833 266: ok 9834 266: ok 9835 266: ok 9836 266: ok 9837 266: ok 9838 266: ok 9839 266: ok 9840 266: ok 9841 266: ok 9842 266: ok 9843 266: ok 9844 266: ok 9845 266: ok 9846 266: ok 9847 266: ok 9848 266: ok 9849 266: ok 9850 266: ok 9851 266: ok 9852 266: ok 9853 266: ok 9854 266: ok 9855 266: ok 9856 266: ok 9857 266: ok 9858 266: ok 9859 266: ok 9860 266: ok 9861 266: ok 9862 266: ok 9863 266: ok 9864 266: ok 9865 266: ok 9866 266: ok 9867 266: ok 9868 266: ok 9869 266: ok 9870 266: ok 9871 266: ok 9872 266: ok 9873 266: ok 9874 266: ok 9875 266: ok 9876 266: ok 9877 266: ok 9878 266: ok 9879 266: ok 9880 266: ok 9881 266: ok 9882 266: ok 9883 266: ok 9884 266: ok 9885 266: ok 9886 266: ok 9887 266: ok 9888 266: ok 9889 266: ok 9890 266: ok 9891 266: ok 9892 266: ok 9893 266: ok 9894 266: ok 9895 266: ok 9896 266: ok 9897 266: ok 9898 266: ok 9899 266: ok 9900 266: ok 9901 266: ok 9902 266: ok 9903 266: ok 9904 266: ok 9905 266: ok 9906 266: ok 9907 266: ok 9908 266: ok 9909 266: ok 9910 266: ok 9911 266: ok 9912 266: ok 9913 266: ok 9914 266: ok 9915 266: ok 9916 266: ok 9917 266: ok 9918 266: ok 9919 266: ok 9920 266: ok 9921 266: ok 9922 266: ok 9923 266: ok 9924 266: ok 9925 266: ok 9926 266: ok 9927 266: ok 9928 266: ok 9929 266: ok 9930 266: ok 9931 266: ok 9932 266: ok 9933 266: ok 9934 266: ok 9935 266: ok 9936 266: ok 9937 266: ok 9938 266: ok 9939 266: ok 9940 266: ok 9941 266: ok 9942 266: ok 9943 266: ok 9944 266: ok 9945 266: ok 9946 266: ok 9947 266: ok 9948 266: ok 9949 266: ok 9950 266: ok 9951 266: ok 9952 266: ok 9953 266: ok 9954 266: ok 9955 266: ok 9956 266: ok 9957 266: ok 9958 266: ok 9959 266: ok 9960 266: ok 9961 266: ok 9962 266: ok 9963 266: ok 9964 266: ok 9965 266: ok 9966 266: ok 9967 266: ok 9968 266: ok 9969 266: ok 9970 266: ok 9971 266: ok 9972 266: ok 9973 266: ok 9974 266: ok 9975 266: ok 9976 266: ok 9977 266: ok 9978 266: ok 9979 266: ok 9980 266: ok 9981 266: ok 9982 266: ok 9983 266: ok 9984 266: ok 9985 266: ok 9986 266: ok 9987 266: ok 9988 266: ok 9989 266: ok 9990 266: ok 9991 266: ok 9992 266: ok 9993 266: ok 9994 266: ok 9995 266: ok 9996 266: ok 9997 266: ok 9998 266: ok 9999 266: ok 10000 266: ok 10001 266: ok 10002 266: ok 10003 266: ok 10004 266: ok 10005 266: ok 10006 266: ok 10007 266: ok 10008 266: ok 10009 266: ok 10010 266: ok 10011 266: ok 10012 266: ok 10013 266: ok 10014 266: ok 10015 266: ok 10016 266: ok 10017 266: ok 10018 266: ok 10019 266: ok 10020 266: ok 10021 266: ok 10022 266: ok 10023 266: ok 10024 266: ok 10025 266: ok 10026 266: ok 10027 266: ok 10028 266: ok 10029 266: ok 10030 266: ok 10031 266: ok 10032 266: ok 10033 266: ok 10034 266: ok 10035 266: ok 10036 266: ok 10037 266: ok 10038 266: ok 10039 266: ok 10040 266: ok 10041 266: ok 10042 266: ok 10043 266: ok 10044 266: ok 10045 266: ok 10046 266: ok 10047 266: ok 10048 266: ok 10049 266: ok 10050 266: ok 10051 266: ok 10052 266: ok 10053 266: ok 10054 266: ok 10055 266: ok 10056 266: ok 10057 266: ok 10058 266: ok 10059 266: ok 10060 266: ok 10061 266: ok 10062 266: ok 10063 266: ok 10064 266: ok 10065 266: ok 10066 266: ok 10067 266: ok 10068 266: ok 10069 266: ok 10070 266: ok 10071 266: ok 10072 266: ok 10073 266: ok 10074 266: ok 10075 266: ok 10076 266: ok 10077 266: ok 10078 266: ok 10079 266: ok 10080 266: ok 10081 266: ok 10082 266: ok 10083 266: ok 10084 266: ok 10085 266: ok 10086 266: ok 10087 266: ok 10088 266: ok 10089 266: ok 10090 266: ok 10091 266: ok 10092 266: ok 10093 266: ok 10094 266: ok 10095 266: ok 10096 266: ok 10097 266: ok 10098 266: ok 10099 266: ok 10100 266: ok 10101 266: ok 10102 266: ok 10103 266: ok 10104 266: ok 10105 266: ok 10106 266: ok 10107 266: ok 10108 266: ok 10109 266: ok 10110 266: ok 10111 266: ok 10112 266: ok 10113 266: ok 10114 266: ok 10115 266: ok 10116 266: ok 10117 266: ok 10118 266: ok 10119 266: ok 10120 266: ok 10121 266: ok 10122 266: ok 10123 266: ok 10124 266: ok 10125 266: ok 10126 266: ok 10127 266: ok 10128 266: ok 10129 266: ok 10130 266: ok 10131 266: ok 10132 266: ok 10133 266: ok 10134 266: ok 10135 266: ok 10136 266: ok 10137 266: ok 10138 266: ok 10139 266: ok 10140 266: ok 10141 266: ok 10142 266: ok 10143 266: ok 10144 266: ok 10145 266: ok 10146 266: ok 10147 266: ok 10148 266: ok 10149 266: ok 10150 266: ok 10151 266: ok 10152 266: ok 10153 266: ok 10154 266: ok 10155 266: ok 10156 266: ok 10157 266: ok 10158 266: ok 10159 266: ok 10160 266: ok 10161 266: ok 10162 266: ok 10163 266: ok 10164 266: ok 10165 266: ok 10166 266: ok 10167 266: ok 10168 266: ok 10169 266: ok 10170 266: ok 10171 266: ok 10172 266: ok 10173 266: ok 10174 266: ok 10175 266: ok 10176 266: ok 10177 266: ok 10178 266: ok 10179 266: ok 10180 266: ok 10181 266: ok 10182 266: ok 10183 266: ok 10184 266: ok 10185 266: ok 10186 266: ok 10187 266: ok 10188 266: ok 10189 266: ok 10190 266: ok 10191 266: ok 10192 266: ok 10193 266: ok 10194 266: ok 10195 266: ok 10196 266: ok 10197 266: ok 10198 266: ok 10199 266: ok 10200 266: ok 10201 266: ok 10202 266: ok 10203 266: ok 10204 266: ok 10205 266: ok 10206 266: ok 10207 266: ok 10208 266: ok 10209 266: ok 10210 266: ok 10211 266: ok 10212 266: ok 10213 266: ok 10214 266: ok 10215 266: ok 10216 266: ok 10217 266: ok 10218 266: ok 10219 266: ok 10220 266: ok 10221 266: ok 10222 266: ok 10223 266: ok 10224 266: ok 10225 266: ok 10226 266: ok 10227 266: ok 10228 266: ok 10229 266: ok 10230 266: ok 10231 266: ok 10232 266: ok 10233 266: ok 10234 266: ok 10235 266: ok 10236 266: ok 10237 266: ok 10238 266: ok 10239 266: ok 10240 266: ok 10241 266: ok 10242 266: ok 10243 266: ok 10244 266: ok 10245 266: ok 10246 266: ok 10247 266: ok 10248 266: ok 10249 266: ok 10250 266: ok 10251 266: ok 10252 266: ok 10253 266: ok 10254 266: ok 10255 266: ok 10256 266: ok 10257 266: ok 10258 266: ok 10259 266: ok 10260 266: ok 10261 266: ok 10262 266: ok 10263 266: ok 10264 266: ok 10265 266: ok 10266 266: ok 10267 266: ok 10268 266: ok 10269 266: ok 10270 266: ok 10271 266: ok 10272 266: ok 10273 266: ok 10274 266: ok 10275 266: ok 10276 266: ok 10277 266: ok 10278 266: ok 10279 266: ok 10280 266: ok 10281 266: ok 10282 266: ok 10283 266: ok 10284 266: ok 10285 266: ok 10286 266: ok 10287 266: ok 10288 266: ok 10289 266: ok 10290 266: ok 10291 266: ok 10292 266: ok 10293 266: ok 10294 266: ok 10295 266: ok 10296 266: ok 10297 266: ok 10298 266: ok 10299 266: ok 10300 266: ok 10301 266: ok 10302 266: ok 10303 266: ok 10304 266: ok 10305 266: ok 10306 266: ok 10307 266: ok 10308 266: ok 10309 266: ok 10310 266: ok 10311 266: ok 10312 266: ok 10313 266: ok 10314 266: ok 10315 266: ok 10316 266: ok 10317 266: ok 10318 266: ok 10319 266: ok 10320 266: ok 10321 266: ok 10322 266: ok 10323 266: ok 10324 266: ok 10325 266: ok 10326 266: ok 10327 266: ok 10328 266: ok 10329 266: ok 10330 266: ok 10331 266: ok 10332 266: ok 10333 266: ok 10334 266: ok 10335 266: ok 10336 266: ok 10337 266: ok 10338 266: ok 10339 266: ok 10340 266: ok 10341 266: ok 10342 266: ok 10343 266: ok 10344 266: ok 10345 266: ok 10346 266: ok 10347 266: ok 10348 266: ok 10349 266: ok 10350 266: ok 10351 266: ok 10352 266: ok 10353 266: ok 10354 266: ok 10355 266: ok 10356 266: ok 10357 266: ok 10358 266: ok 10359 266: ok 10360 266: ok 10361 266: ok 10362 266: ok 10363 266: ok 10364 266: ok 10365 266: ok 10366 266: ok 10367 266: ok 10368 266: ok 10369 266: ok 10370 266: ok 10371 266: ok 10372 266: ok 10373 266: ok 10374 266: ok 10375 266: ok 10376 266: ok 10377 266: ok 10378 266: ok 10379 266: ok 10380 266: ok 10381 266: ok 10382 266: ok 10383 266: ok 10384 266: ok 10385 266: ok 10386 266: ok 10387 266: ok 10388 266: ok 10389 266: ok 10390 266: ok 10391 266: ok 10392 266: ok 10393 266: ok 10394 266: ok 10395 266: ok 10396 266: ok 10397 266: ok 10398 266: ok 10399 266: ok 10400 266: ok 10401 266: ok 10402 266: ok 10403 266: ok 10404 266: ok 10405 266: ok 10406 266: ok 10407 266: ok 10408 266: ok 10409 266: ok 10410 266: ok 10411 266: ok 10412 266: ok 10413 266: ok 10414 266: ok 10415 266: ok 10416 266: ok 10417 266: ok 10418 266: ok 10419 266: ok 10420 266: ok 10421 266: ok 10422 266: ok 10423 266: ok 10424 266: ok 10425 266: ok 10426 266: ok 10427 266: ok 10428 266: ok 10429 266: ok 10430 266: ok 10431 266: ok 10432 266: ok 10433 266: ok 10434 266: ok 10435 266: ok 10436 266: ok 10437 266: ok 10438 266: ok 10439 266: ok 10440 266: ok 10441 266: ok 10442 266: ok 10443 266: ok 10444 266: ok 10445 266: ok 10446 266: ok 10447 266: ok 10448 266: ok 10449 266: ok 10450 266: ok 10451 266: ok 10452 266: ok 10453 266: ok 10454 266: ok 10455 266: ok 10456 266: ok 10457 266: ok 10458 266: ok 10459 266: ok 10460 266: ok 10461 266: ok 10462 266: ok 10463 266: ok 10464 266: ok 10465 266: ok 10466 266: ok 10467 266: ok 10468 266: ok 10469 266: ok 10470 266: ok 10471 266: ok 10472 266: ok 10473 266: ok 10474 266: ok 10475 266: ok 10476 266: ok 10477 266: ok 10478 266: ok 10479 266: ok 10480 266: ok 10481 266: ok 10482 266: ok 10483 266: ok 10484 266: ok 10485 266: ok 10486 266: ok 10487 266: ok 10488 266: ok 10489 266: ok 10490 266: ok 10491 266: ok 10492 266: ok 10493 266: ok 10494 266: ok 10495 266: ok 10496 266: ok 10497 266: ok 10498 266: ok 10499 266: ok 10500 266: ok 10501 266: ok 10502 266: ok 10503 266: ok 10504 266: ok 10505 266: ok 10506 266: ok 10507 266: ok 10508 266: ok 10509 266: ok 10510 266: ok 10511 266: ok 10512 266: ok 10513 266: ok 10514 266: ok 10515 266: ok 10516 266: ok 10517 266: ok 10518 266: ok 10519 266: ok 10520 266: ok 10521 266: ok 10522 266: ok 10523 266: ok 10524 266: ok 10525 266: ok 10526 266: ok 10527 266: ok 10528 266: ok 10529 266: ok 10530 266: ok 10531 266: ok 10532 266: ok 10533 266: ok 10534 266: ok 10535 266: ok 10536 266: ok 10537 266: ok 10538 266: ok 10539 266: ok 10540 266: ok 10541 266: ok 10542 266: ok 10543 266: ok 10544 266: ok 10545 266: ok 10546 266: ok 10547 266: ok 10548 266: ok 10549 266: ok 10550 266: ok 10551 266: ok 10552 266: ok 10553 266: ok 10554 266: ok 10555 266: ok 10556 266: ok 10557 266: ok 10558 266: ok 10559 266: ok 10560 266: ok 10561 266: ok 10562 266: ok 10563 266: ok 10564 266: ok 10565 266: ok 10566 266: ok 10567 266: ok 10568 266: ok 10569 266: ok 10570 266: ok 10571 266: ok 10572 266: ok 10573 266: ok 10574 266: ok 10575 266: ok 10576 266: ok 10577 266: ok 10578 266: ok 10579 266: ok 10580 266: ok 10581 266: ok 10582 266: ok 10583 266: ok 10584 266: ok 10585 266: ok 10586 266: ok 10587 266: ok 10588 266: ok 10589 266: ok 10590 266: ok 10591 266: ok 10592 266: ok 10593 266: ok 10594 266: ok 10595 266: ok 10596 266: ok 10597 266: ok 10598 266: ok 10599 266: ok 10600 266: ok 10601 266: ok 10602 266: ok 10603 266: ok 10604 266: ok 10605 266: ok 10606 266: ok 10607 266: ok 10608 266: ok 10609 266: ok 10610 266: ok 10611 266: ok 10612 266: ok 10613 266: ok 10614 266: ok 10615 266: ok 10616 266: ok 10617 266: ok 10618 266: ok 10619 266: ok 10620 266: ok 10621 266: ok 10622 266: ok 10623 266: ok 10624 266: ok 10625 266: ok 10626 266: ok 10627 266: ok 10628 266: ok 10629 266: ok 10630 266: ok 10631 266: ok 10632 266: ok 10633 266: ok 10634 266: ok 10635 266: ok 10636 266: ok 10637 266: ok 10638 266: ok 10639 266: ok 10640 266: ok 10641 266: ok 10642 266: ok 10643 266: ok 10644 266: ok 10645 266: ok 10646 266: ok 10647 266: ok 10648 266: ok 10649 266: ok 10650 266: ok 10651 266: ok 10652 266: ok 10653 266: ok 10654 266: ok 10655 266: ok 10656 266: ok 10657 266: ok 10658 266: ok 10659 266: ok 10660 266: ok 10661 266: ok 10662 266: ok 10663 266: ok 10664 266: ok 10665 266: ok 10666 266: ok 10667 266: ok 10668 266: ok 10669 266: ok 10670 266: ok 10671 266: ok 10672 266: ok 10673 266: ok 10674 266: ok 10675 266: ok 10676 266: ok 10677 266: ok 10678 266: ok 10679 266: ok 10680 266: ok 10681 266: ok 10682 266: ok 10683 266: ok 10684 266: ok 10685 266: ok 10686 266: ok 10687 266: ok 10688 266: ok 10689 266: ok 10690 266: ok 10691 266: ok 10692 266: ok 10693 266: ok 10694 266: ok 10695 266: ok 10696 266: ok 10697 266: ok 10698 266: ok 10699 266: ok 10700 266: ok 10701 266: ok 10702 266: ok 10703 266: ok 10704 266: ok 10705 266: ok 10706 266: ok 10707 266: ok 10708 266: ok 10709 266: ok 10710 266: ok 10711 266: ok 10712 266: ok 10713 266: ok 10714 266: ok 10715 266: ok 10716 266: ok 10717 266: ok 10718 266: ok 10719 266: ok 10720 266: ok 10721 266: ok 10722 266: ok 10723 266: ok 10724 266: ok 10725 266: ok 10726 266: ok 10727 266: ok 10728 266: ok 10729 266: ok 10730 266: ok 10731 266: ok 10732 266: ok 10733 266: ok 10734 266: ok 10735 266: ok 10736 266: ok 10737 266: ok 10738 266: ok 10739 266: ok 10740 266: ok 10741 266: ok 10742 266: ok 10743 266: ok 10744 266: ok 10745 266: ok 10746 266: ok 10747 266: ok 10748 266: ok 10749 266: ok 10750 266: ok 10751 266: ok 10752 266: ok 10753 266: ok 10754 266: ok 10755 266: ok 10756 266: ok 10757 266: ok 10758 266: ok 10759 266: ok 10760 266: ok 10761 266: ok 10762 266: ok 10763 266: ok 10764 266: ok 10765 266: ok 10766 266: ok 10767 266: ok 10768 266: ok 10769 266: ok 10770 266: ok 10771 266: ok 10772 266: ok 10773 266: ok 10774 266: ok 10775 266: ok 10776 266: ok 10777 266: ok 10778 266: ok 10779 266: ok 10780 266: ok 10781 266: ok 10782 266: ok 10783 266: ok 10784 266: ok 10785 266: ok 10786 266: ok 10787 266: ok 10788 266: ok 10789 266: ok 10790 266: ok 10791 266: ok 10792 266: ok 10793 266: ok 10794 266: ok 10795 266: ok 10796 266: ok 10797 266: ok 10798 266: ok 10799 266: ok 10800 266: ok 10801 266: ok 10802 266: ok 10803 266: ok 10804 266: ok 10805 266: ok 10806 266: ok 10807 266: ok 10808 266: ok 10809 266: ok 10810 266: ok 10811 266: ok 10812 266: ok 10813 266: ok 10814 266: ok 10815 266: ok 10816 266: ok 10817 266: ok 10818 266: ok 10819 266: ok 10820 266: ok 10821 266: ok 10822 266: ok 10823 266: ok 10824 266: ok 10825 266: ok 10826 266: ok 10827 266: ok 10828 266: ok 10829 266: ok 10830 266: ok 10831 266: ok 10832 266: ok 10833 266: ok 10834 266: ok 10835 266: ok 10836 266: ok 10837 266: ok 10838 266: ok 10839 266: ok 10840 266: ok 10841 266: ok 10842 266: ok 10843 266: ok 10844 266: ok 10845 266: ok 10846 266: ok 10847 266: ok 10848 266: ok 10849 266: ok 10850 266: ok 10851 266: ok 10852 266: ok 10853 266: ok 10854 266: ok 10855 266: ok 10856 266: ok 10857 266: ok 10858 266: ok 10859 266: ok 10860 266: ok 10861 266: ok 10862 266: ok 10863 266: ok 10864 266: ok 10865 266: ok 10866 266: ok 10867 266: ok 10868 266: ok 10869 266: ok 10870 266: ok 10871 266: ok 10872 266: ok 10873 266: ok 10874 266: ok 10875 266: ok 10876 266: ok 10877 266: ok 10878 266: ok 10879 266: ok 10880 266: ok 10881 266: ok 10882 266: ok 10883 266: ok 10884 266: ok 10885 266: ok 10886 266: ok 10887 266: ok 10888 266: ok 10889 266: ok 10890 266: ok 10891 266: ok 10892 266: ok 10893 266: ok 10894 266: ok 10895 266: ok 10896 266: ok 10897 266: ok 10898 266: ok 10899 266: ok 10900 266: ok 10901 266: ok 10902 266: ok 10903 266: ok 10904 266: ok 10905 266: ok 10906 266: ok 10907 266: ok 10908 266: ok 10909 266: ok 10910 266: ok 10911 266: ok 10912 266: ok 10913 266: ok 10914 266: ok 10915 266: ok 10916 266: ok 10917 266: ok 10918 266: ok 10919 266: ok 10920 266: ok 10921 266: ok 10922 266: ok 10923 266: ok 10924 266: ok 10925 266: ok 10926 266: ok 10927 266: ok 10928 266: ok 10929 266: ok 10930 266: ok 10931 266: ok 10932 266: ok 10933 266: ok 10934 266: ok 10935 266: ok 10936 266: ok 10937 266: ok 10938 266: ok 10939 266: ok 10940 266: ok 10941 266: ok 10942 266: ok 10943 266: ok 10944 266: ok 10945 266: ok 10946 266: ok 10947 266: ok 10948 266: ok 10949 266: ok 10950 266: ok 10951 266: ok 10952 266: ok 10953 266: ok 10954 266: ok 10955 266: ok 10956 266: ok 10957 266: ok 10958 266: ok 10959 266: ok 10960 266: ok 10961 266: ok 10962 266: ok 10963 266: ok 10964 266: ok 10965 266: ok 10966 266: ok 10967 266: ok 10968 266: ok 10969 266: ok 10970 266: ok 10971 266: ok 10972 266: ok 10973 266: ok 10974 266: ok 10975 266: ok 10976 266: ok 10977 266: ok 10978 266: ok 10979 266: ok 10980 266: ok 10981 266: ok 10982 266: ok 10983 266: ok 10984 266: ok 10985 266: ok 10986 266: ok 10987 266: ok 10988 266: ok 10989 266: ok 10990 266: ok 10991 266: ok 10992 266: ok 10993 266: ok 10994 266: ok 10995 266: ok 10996 266: ok 10997 266: ok 10998 266: ok 10999 266: ok 11000 266: ok 11001 266: ok 11002 266: ok 11003 266: ok 11004 266: ok 11005 266: ok 11006 266: ok 11007 266: ok 11008 266: ok 11009 266: ok 11010 266: ok 11011 266: ok 11012 266: ok 11013 266: ok 11014 266: ok 11015 266: ok 11016 266: ok 11017 266: ok 11018 266: ok 11019 266: ok 11020 266: ok 11021 266: ok 11022 266: ok 11023 266: ok 11024 266: ok 11025 266: ok 11026 266: ok 11027 266: ok 11028 266: ok 11029 266: ok 11030 266: ok 11031 266: ok 11032 266: ok 11033 266: ok 11034 266: ok 11035 266: ok 11036 266: ok 11037 266: ok 11038 266: ok 11039 266: ok 11040 266: ok 11041 266: ok 11042 266: ok 11043 266: ok 11044 266: ok 11045 266: ok 11046 266: ok 11047 266: ok 11048 266: ok 11049 266: ok 11050 266: ok 11051 266: ok 11052 266: ok 11053 266: ok 11054 266: ok 11055 266: ok 11056 266: ok 11057 266: ok 11058 266: ok 11059 266: ok 11060 266: ok 11061 266: ok 11062 266: ok 11063 266: ok 11064 266: ok 11065 266: ok 11066 266: ok 11067 266: ok 11068 266: ok 11069 266: ok 11070 266: ok 11071 266: ok 11072 266: ok 11073 266: ok 11074 266: ok 11075 266: ok 11076 266: ok 11077 266: ok 11078 266: ok 11079 266: ok 11080 266: ok 11081 266: ok 11082 266: ok 11083 266: ok 11084 266: ok 11085 266: ok 11086 266: ok 11087 266: ok 11088 266: ok 11089 266: ok 11090 266: ok 11091 266: ok 11092 266: ok 11093 266: ok 11094 266: ok 11095 266: ok 11096 266: ok 11097 266: ok 11098 266: ok 11099 266: ok 11100 266: ok 11101 266: ok 11102 266: ok 11103 266: ok 11104 266: ok 11105 266: ok 11106 266: ok 11107 266: ok 11108 266: ok 11109 266: ok 11110 266: ok 11111 266: ok 11112 266: ok 11113 266: ok 11114 266: ok 11115 266: ok 11116 266: ok 11117 266: ok 11118 266: ok 11119 266: ok 11120 266: ok 11121 266: ok 11122 266: ok 11123 266: ok 11124 266: ok 11125 266: ok 11126 266: ok 11127 266: ok 11128 266: ok 11129 266: ok 11130 266: ok 11131 266: ok 11132 266: ok 11133 266: ok 11134 266: ok 11135 266: ok 11136 266: ok 11137 266: ok 11138 266: ok 11139 266: ok 11140 266: ok 11141 266: ok 11142 266: ok 11143 266: ok 11144 266: ok 11145 266: ok 11146 266: ok 11147 266: ok 11148 266: ok 11149 266: ok 11150 266: ok 11151 266: ok 11152 266: ok 11153 266: ok 11154 266: ok 11155 266: ok 11156 266: ok 11157 266: ok 11158 266: ok 11159 266: ok 11160 266: ok 11161 266: ok 11162 266: ok 11163 266: ok 11164 266: ok 11165 266: ok 11166 266: ok 11167 266: ok 11168 266: ok 11169 266: ok 11170 266: ok 11171 266: ok 11172 266: ok 11173 266: ok 11174 266: ok 11175 266: ok 11176 266: ok 11177 266: ok 11178 266: ok 11179 266: ok 11180 266: ok 11181 266: ok 11182 266: ok 11183 266: ok 11184 266: ok 11185 266: ok 11186 266: ok 11187 266: ok 11188 266: ok 11189 266: ok 11190 266: ok 11191 266: ok 11192 266: ok 11193 266: ok 11194 266: ok 11195 266: ok 11196 266: ok 11197 266: ok 11198 266: ok 11199 266: ok 11200 266: ok 11201 266: ok 11202 266: ok 11203 266: ok 11204 266: ok 11205 266: ok 11206 266: ok 11207 266: ok 11208 266: ok 11209 266: ok 11210 266: ok 11211 266: ok 11212 266: ok 11213 266: ok 11214 266: ok 11215 266: ok 11216 266: ok 11217 266: ok 11218 266: ok 11219 266: ok 11220 266: ok 11221 266: ok 11222 266: ok 11223 266: ok 11224 266: ok 11225 266: ok 11226 266: ok 11227 266: ok 11228 266: ok 11229 266: ok 11230 266: ok 11231 266: ok 11232 266: ok 11233 266: ok 11234 266: ok 11235 266: ok 11236 266: ok 11237 266: ok 11238 266: ok 11239 266: ok 11240 266: ok 11241 266: ok 11242 266: ok 11243 266: ok 11244 266: ok 11245 266: ok 11246 266: ok 11247 266: ok 11248 266: ok 11249 266: ok 11250 266: ok 11251 266: ok 11252 266: ok 11253 266: ok 11254 266: ok 11255 266: ok 11256 266: ok 11257 266: ok 11258 266: ok 11259 266: ok 11260 266: ok 11261 266: ok 11262 266: ok 11263 266: ok 11264 266: ok 11265 266: ok 11266 266: ok 11267 266: ok 11268 266: ok 11269 266: ok 11270 266: ok 11271 266: ok 11272 266: ok 11273 266: ok 11274 266: ok 11275 266: ok 11276 266: ok 11277 266: ok 11278 266: ok 11279 266: ok 11280 266: ok 11281 266: ok 11282 266: ok 11283 266: ok 11284 266: ok 11285 266: ok 11286 266: ok 11287 266: ok 11288 266: ok 11289 266: ok 11290 266: ok 11291 266: ok 11292 266: ok 11293 266: ok 11294 266: ok 11295 266: ok 11296 266: ok 11297 266: ok 11298 266: ok 11299 266: ok 11300 266: ok 11301 266: ok 11302 266: ok 11303 266: ok 11304 266: ok 11305 266: ok 11306 266: ok 11307 266: ok 11308 266: ok 11309 266: ok 11310 266: ok 11311 266: ok 11312 266: ok 11313 266: ok 11314 266: ok 11315 266: ok 11316 266: ok 11317 266: ok 11318 266: ok 11319 266: ok 11320 266: ok 11321 266: ok 11322 266: ok 11323 266: ok 11324 266: ok 11325 266: ok 11326 266: ok 11327 266: ok 11328 266: ok 11329 266: ok 11330 266: ok 11331 266: ok 11332 266: ok 11333 266: ok 11334 266: ok 11335 266: ok 11336 266: ok 11337 266: ok 11338 266: ok 11339 266: ok 11340 266: ok 11341 266: ok 11342 266: ok 11343 266: ok 11344 266: ok 11345 266: ok 11346 266: ok 11347 266: ok 11348 266: ok 11349 266: ok 11350 266: ok 11351 266: ok 11352 266: ok 11353 266: ok 11354 266: ok 11355 266: ok 11356 266: ok 11357 266: ok 11358 266: ok 11359 266: ok 11360 266: ok 11361 266: ok 11362 266: ok 11363 266: ok 11364 266: ok 11365 266: ok 11366 266: ok 11367 266: ok 11368 266: ok 11369 266: ok 11370 266: ok 11371 266: ok 11372 266: ok 11373 266: ok 11374 266: ok 11375 266: ok 11376 266: ok 11377 266: ok 11378 266: ok 11379 266: ok 11380 266: ok 11381 266: ok 11382 266: ok 11383 266: ok 11384 266: ok 11385 266: ok 11386 266: ok 11387 266: ok 11388 266: ok 11389 266: ok 11390 266: ok 11391 266: ok 11392 266: ok 11393 266: ok 11394 266: ok 11395 266: ok 11396 266: ok 11397 266: ok 11398 266: ok 11399 266: ok 11400 266: ok 11401 266: ok 11402 266: ok 11403 266: ok 11404 266: ok 11405 266: ok 11406 266: ok 11407 266: ok 11408 266: ok 11409 266: ok 11410 266: ok 11411 266: ok 11412 266: ok 11413 266: ok 11414 266: ok 11415 266: ok 11416 266: ok 11417 266: ok 11418 266: ok 11419 266: ok 11420 266: ok 11421 266: ok 11422 266: ok 11423 266: ok 11424 266: ok 11425 266: ok 11426 266: ok 11427 266: ok 11428 266: ok 11429 266: ok 11430 266: ok 11431 266: ok 11432 266: ok 11433 266: ok 11434 266: ok 11435 266: ok 11436 266: ok 11437 266: ok 11438 266: ok 11439 266: ok 11440 266: ok 11441 266: ok 11442 266: ok 11443 266: ok 11444 266: ok 11445 266: ok 11446 266: ok 11447 266: ok 11448 266: ok 11449 266: ok 11450 266: ok 11451 266: ok 11452 266: ok 11453 266: ok 11454 266: ok 11455 266: ok 11456 266: ok 11457 266: ok 11458 266: ok 11459 266: ok 11460 266: ok 11461 266: ok 11462 266: ok 11463 266: ok 11464 266: ok 11465 266: ok 11466 266: ok 11467 266: ok 11468 266: ok 11469 266: ok 11470 266: ok 11471 266: ok 11472 266: ok 11473 266: ok 11474 266: ok 11475 266: ok 11476 266: ok 11477 266: ok 11478 266: ok 11479 266: ok 11480 266: ok 11481 266: ok 11482 266: ok 11483 266: ok 11484 266: ok 11485 266: ok 11486 266: ok 11487 266: ok 11488 266: ok 11489 266: ok 11490 266: ok 11491 266: ok 11492 266: ok 11493 266: ok 11494 266: ok 11495 266: ok 11496 266: ok 11497 266: ok 11498 266: ok 11499 266: ok 11500 266: ok 11501 266: ok 11502 266: ok 11503 266: ok 11504 266: ok 11505 266: ok 11506 266: ok 11507 266: ok 11508 266: ok 11509 266: ok 11510 266: ok 11511 266: ok 11512 266: ok 11513 266: ok 11514 266: ok 11515 266: ok 11516 266: ok 11517 266: ok 11518 266: ok 11519 266: ok 11520 266: ok 11521 266: ok 11522 266: ok 11523 266: ok 11524 266: ok 11525 266: ok 11526 266: ok 11527 266: ok 11528 266: ok 11529 266: ok 11530 266: ok 11531 266: ok 11532 266: ok 11533 266: ok 11534 266: ok 11535 266: ok 11536 266: ok 11537 266: ok 11538 266: ok 11539 266: ok 11540 266: ok 11541 266: ok 11542 266: ok 11543 266: ok 11544 266: ok 11545 266: ok 11546 266: ok 11547 266: ok 11548 266: ok 11549 266: ok 11550 266: ok 11551 266: ok 11552 266: ok 11553 266: ok 11554 266: ok 11555 266: ok 11556 266: ok 11557 266: ok 11558 266: ok 11559 266: ok 11560 266: ok 11561 266: ok 11562 266: ok 11563 266: ok 11564 266: ok 11565 266: ok 11566 266: ok 11567 266: ok 11568 266: ok 11569 266: ok 11570 266: ok 11571 266: ok 11572 266: ok 11573 266: ok 11574 266: ok 11575 266: ok 11576 266: ok 11577 266: ok 11578 266: ok 11579 266: ok 11580 266: ok 11581 266: ok 11582 266: ok 11583 266: ok 11584 266: ok 11585 266: ok 11586 266: ok 11587 266: ok 11588 266: ok 11589 266: ok 11590 266: ok 11591 266: ok 11592 266: ok 11593 266: ok 11594 266: ok 11595 266: ok 11596 266: ok 11597 266: ok 11598 266: ok 11599 266: ok 11600 266: ok 11601 266: ok 11602 266: ok 11603 266: ok 11604 266: ok 11605 266: ok 11606 266: ok 11607 266: ok 11608 266: ok 11609 266: ok 11610 266: ok 11611 266: ok 11612 266: ok 11613 266: ok 11614 266: ok 11615 266: ok 11616 266: ok 11617 266: ok 11618 266: ok 11619 266: ok 11620 266: ok 11621 266: ok 11622 266: ok 11623 266: ok 11624 266: ok 11625 266: ok 11626 266: ok 11627 266: ok 11628 266: ok 11629 266: ok 11630 266: ok 11631 266: ok 11632 266: ok 11633 266: ok 11634 266: ok 11635 266: ok 11636 266: ok 11637 266: ok 11638 266: ok 11639 266: ok 11640 266: ok 11641 266: ok 11642 266: ok 11643 266: ok 11644 266: ok 11645 266: ok 11646 266: ok 11647 266: ok 11648 266: ok 11649 266: ok 11650 266: ok 11651 266: ok 11652 266: ok 11653 266: ok 11654 266: ok 11655 266: ok 11656 266: ok 11657 266: ok 11658 266: ok 11659 266: ok 11660 266: ok 11661 266: ok 11662 266: ok 11663 266: ok 11664 266: ok 11665 266: ok 11666 266: ok 11667 266: ok 11668 266: ok 11669 266: ok 11670 266: ok 11671 266: ok 11672 266: ok 11673 266: ok 11674 266: ok 11675 266: ok 11676 266: ok 11677 266: ok 11678 266: ok 11679 266: ok 11680 266: ok 11681 266: ok 11682 266: ok 11683 266: ok 11684 266: ok 11685 266: ok 11686 266: ok 11687 266: ok 11688 266: ok 11689 266: ok 11690 266: ok 11691 266: ok 11692 266: ok 11693 266: ok 11694 266: ok 11695 266: ok 11696 266: ok 11697 266: ok 11698 266: ok 11699 266: ok 11700 266: ok 11701 266: ok 11702 266: ok 11703 266: ok 11704 266: ok 11705 266: ok 11706 266: ok 11707 266: ok 11708 266: ok 11709 266: ok 11710 266: ok 11711 266: ok 11712 266: ok 11713 266: ok 11714 266: ok 11715 266: ok 11716 266: ok 11717 266: ok 11718 266: ok 11719 266: ok 11720 266: ok 11721 266: ok 11722 266: ok 11723 266: ok 11724 266: ok 11725 266: ok 11726 266: ok 11727 266: ok 11728 266: ok 11729 266: ok 11730 266: ok 11731 266: ok 11732 266: ok 11733 266: ok 11734 266: ok 11735 266: ok 11736 266: ok 11737 266: ok 11738 266: ok 11739 266: ok 11740 266: ok 11741 266: ok 11742 266: ok 11743 266: ok 11744 266: ok 11745 266: ok 11746 266: ok 11747 266: ok 11748 266: ok 11749 266: ok 11750 266: ok 11751 266: ok 11752 266: ok 11753 266: ok 11754 266: ok 11755 266: ok 11756 266: ok 11757 266: ok 11758 266: ok 11759 266: ok 11760 266: ok 11761 266: ok 11762 266: ok 11763 266: ok 11764 266: ok 11765 266: ok 11766 266: ok 11767 266: ok 11768 266: ok 11769 266: ok 11770 266: ok 11771 266: ok 11772 266: ok 11773 266: ok 11774 266: ok 11775 266: ok 11776 266: ok 11777 266: ok 11778 266: ok 11779 266: ok 11780 266: ok 11781 266: ok 11782 266: ok 11783 266: ok 11784 266: ok 11785 266: ok 11786 266: ok 11787 266: ok 11788 266: ok 11789 266: ok 11790 266: ok 11791 266: ok 11792 266: ok 11793 266: ok 11794 266: ok 11795 266: ok 11796 266: ok 11797 266: ok 11798 266: ok 11799 266: ok 11800 266: ok 11801 266: ok 11802 266: ok 11803 266: ok 11804 266: ok 11805 266: ok 11806 266: ok 11807 266: ok 11808 266: ok 11809 266: ok 11810 266: ok 11811 266: ok 11812 266: ok 11813 266: ok 11814 266: ok 11815 266: ok 11816 266: ok 11817 266: ok 11818 266: ok 11819 266: ok 11820 266: ok 11821 266: ok 11822 266: ok 11823 266: ok 11824 266: ok 11825 266: ok 11826 266: ok 11827 266: ok 11828 266: ok 11829 266: ok 11830 266: ok 11831 266: ok 11832 266: ok 11833 266: ok 11834 266: ok 11835 266: ok 11836 266: ok 11837 266: ok 11838 266: ok 11839 266: ok 11840 266: ok 11841 266: ok 11842 266: ok 11843 266: ok 11844 266: ok 11845 266: ok 11846 266: ok 11847 266: ok 11848 266: ok 11849 266: ok 11850 266: ok 11851 266: ok 11852 266: ok 11853 266: ok 11854 266: ok 11855 266: ok 11856 266: ok 11857 266: ok 11858 266: ok 11859 266: ok 11860 266: ok 11861 266: ok 11862 266: ok 11863 266: ok 11864 266: ok 11865 266: ok 11866 266: ok 11867 266: ok 11868 266: ok 11869 266: ok 11870 266: ok 11871 266: ok 11872 266: ok 11873 266: ok 11874 266: ok 11875 266: ok 11876 266: ok 11877 266: ok 11878 266: ok 11879 266: ok 11880 266: ok 11881 266: ok 11882 266: ok 11883 266: ok 11884 266: ok 11885 266: ok 11886 266: ok 11887 266: ok 11888 266: ok 11889 266: ok 11890 266: ok 11891 266: ok 11892 266: ok 11893 266: ok 11894 266: ok 11895 266: ok 11896 266: ok 11897 266: ok 11898 266: ok 11899 266: ok 11900 266: ok 11901 266: ok 11902 266: ok 11903 266: ok 11904 266: ok 11905 266: ok 11906 266: ok 11907 266: ok 11908 266: ok 11909 266: ok 11910 266: ok 11911 266: ok 11912 266: ok 11913 266: ok 11914 266: ok 11915 266: ok 11916 266: ok 11917 266: ok 11918 266: ok 11919 266: ok 11920 266: ok 11921 266: ok 11922 266: ok 11923 266: ok 11924 266: ok 11925 266: ok 11926 266: ok 11927 266: ok 11928 266: ok 11929 266: ok 11930 266: ok 11931 266: ok 11932 266: ok 11933 266: ok 11934 266: ok 11935 266: ok 11936 266: ok 11937 266: ok 11938 266: ok 11939 266: ok 11940 266: ok 11941 266: ok 11942 266: ok 11943 266: ok 11944 266: ok 11945 266: ok 11946 266: ok 11947 266: ok 11948 266: ok 11949 266: ok 11950 266: ok 11951 266: ok 11952 266: ok 11953 266: ok 11954 266: ok 11955 266: ok 11956 266: ok 11957 266: ok 11958 266: ok 11959 266: ok 11960 266: ok 11961 266: ok 11962 266: ok 11963 266: ok 11964 266: ok 11965 266: ok 11966 266: ok 11967 266: ok 11968 266: ok 11969 266: ok 11970 266: ok 11971 266: ok 11972 266: ok 11973 266: ok 11974 266: ok 11975 266: ok 11976 266: ok 11977 266: ok 11978 266: ok 11979 266: ok 11980 266: ok 11981 266: ok 11982 266: ok 11983 266: ok 11984 266: ok 11985 266: ok 11986 266: ok 11987 266: ok 11988 266: ok 11989 266: ok 11990 266: ok 11991 266: ok 11992 266: ok 11993 266: ok 11994 266: ok 11995 266: ok 11996 266: ok 11997 266: ok 11998 266: ok 11999 266: ok 12000 266: ok 12001 266: ok 12002 266: ok 12003 266: ok 12004 266: ok 12005 266: ok 12006 266: ok 12007 266: ok 12008 266: ok 12009 266: ok 12010 266: ok 12011 266: ok 12012 266: ok 12013 266: ok 12014 266: ok 12015 266: ok 12016 266: ok 12017 266: ok 12018 266: ok 12019 266: ok 12020 266: ok 12021 266: ok 12022 266: ok 12023 266: ok 12024 266: ok 12025 266: ok 12026 266: ok 12027 266: ok 12028 266: ok 12029 266: ok 12030 266: ok 12031 266: ok 12032 266: ok 12033 266: ok 12034 266: ok 12035 266: ok 12036 266: ok 12037 266: ok 12038 266: ok 12039 266: ok 12040 266: ok 12041 266: ok 12042 266: ok 12043 266: ok 12044 266: ok 12045 266: ok 12046 266: ok 12047 266: ok 12048 266: ok 12049 266: ok 12050 266: ok 12051 266: ok 12052 266: ok 12053 266: ok 12054 266: ok 12055 266: ok 12056 266: ok 12057 266: ok 12058 266: ok 12059 266: ok 12060 266: ok 12061 266: ok 12062 266: ok 12063 266: ok 12064 266: ok 12065 266: ok 12066 266: ok 12067 266: ok 12068 266: ok 12069 266: ok 12070 266: ok 12071 266: ok 12072 266: ok 12073 266: ok 12074 266: ok 12075 266: ok 12076 266: ok 12077 266: ok 12078 266: ok 12079 266: ok 12080 266: ok 12081 266: ok 12082 266: ok 12083 266: ok 12084 266: ok 12085 266: ok 12086 266: ok 12087 266: ok 12088 266: ok 12089 266: ok 12090 266: ok 12091 266: ok 12092 266: ok 12093 266: ok 12094 266: ok 12095 266: ok 12096 266: ok 12097 266: ok 12098 266: ok 12099 266: ok 12100 266: ok 12101 266: ok 12102 266: ok 12103 266: ok 12104 266: ok 12105 266: ok 12106 266: ok 12107 266: ok 12108 266: ok 12109 266: ok 12110 266: ok 12111 266: ok 12112 266: ok 12113 266: ok 12114 266: ok 12115 266: ok 12116 266: ok 12117 266: ok 12118 266: ok 12119 266: ok 12120 266: ok 12121 266: ok 12122 266: ok 12123 266: ok 12124 266: ok 12125 266: ok 12126 266: ok 12127 266: ok 12128 266: ok 12129 266: ok 12130 266: ok 12131 266: ok 12132 266: ok 12133 266: ok 12134 266: ok 12135 266: ok 12136 266: ok 12137 266: ok 12138 266: ok 12139 266: ok 12140 266: ok 12141 266: ok 12142 266: ok 12143 266: ok 12144 266: ok 12145 266: ok 12146 266: ok 12147 266: ok 12148 266: ok 12149 266: ok 12150 266: ok 12151 266: ok 12152 266: ok 12153 266: ok 12154 266: ok 12155 266: ok 12156 266: ok 12157 266: ok 12158 266: ok 12159 266: ok 12160 266: ok 12161 266: ok 12162 266: ok 12163 266: ok 12164 266: ok 12165 266: ok 12166 266: ok 12167 266: ok 12168 266: ok 12169 266: ok 12170 266: ok 12171 266: ok 12172 266: ok 12173 266: ok 12174 266: ok 12175 266: ok 12176 266: ok 12177 266: ok 12178 266: ok 12179 266: ok 12180 266: ok 12181 266: ok 12182 266: ok 12183 266: ok 12184 266: ok 12185 266: ok 12186 266: ok 12187 266: ok 12188 266: ok 12189 266: ok 12190 266: ok 12191 266: ok 12192 266: ok 12193 266: ok 12194 266: ok 12195 266: ok 12196 266: ok 12197 266: ok 12198 266: ok 12199 266: ok 12200 266: ok 12201 266: ok 12202 266: ok 12203 266: ok 12204 266: ok 12205 266: ok 12206 266: ok 12207 266: ok 12208 266: ok 12209 266: ok 12210 266: ok 12211 266: ok 12212 266: ok 12213 266: ok 12214 266: ok 12215 266: ok 12216 266: ok 12217 266: ok 12218 266: ok 12219 266: ok 12220 266: ok 12221 266: ok 12222 266: ok 12223 266: ok 12224 266: ok 12225 266: ok 12226 266: ok 12227 266: ok 12228 266: ok 12229 266: ok 12230 266: ok 12231 266: ok 12232 266: ok 12233 266: ok 12234 266: ok 12235 266: ok 12236 266: ok 12237 266: ok 12238 266: ok 12239 266: ok 12240 266: ok 12241 266: ok 12242 266: ok 12243 266: ok 12244 266: ok 12245 266: ok 12246 266: ok 12247 266: ok 12248 266: ok 12249 266: ok 12250 266: ok 12251 266: ok 12252 266: ok 12253 266: ok 12254 266: ok 12255 266: ok 12256 266: ok 12257 266: ok 12258 266: ok 12259 266: ok 12260 266: ok 12261 266: ok 12262 266: ok 12263 266: ok 12264 266: ok 12265 266: ok 12266 266: ok 12267 266: ok 12268 266: ok 12269 266: ok 12270 266: ok 12271 266: ok 12272 266: ok 12273 266: ok 12274 266: ok 12275 266: ok 12276 266: ok 12277 266: ok 12278 266: ok 12279 266: ok 12280 266: ok 12281 266: ok 12282 266: ok 12283 266: ok 12284 266: ok 12285 266: ok 12286 266: ok 12287 266: ok 12288 266: ok 12289 266: ok 12290 266: ok 12291 266: ok 12292 266: ok 12293 266: ok 12294 266: ok 12295 266: ok 12296 266: ok 12297 266: ok 12298 266: ok 12299 266: ok 12300 266: ok 12301 266: ok 12302 266: ok 12303 266: ok 12304 266: ok 12305 266: ok 12306 266: ok 12307 266: ok 12308 266: ok 12309 266: ok 12310 266: ok 12311 266: ok 12312 266: ok 12313 266: ok 12314 266: ok 12315 266: ok 12316 266: ok 12317 266: ok 12318 266: ok 12319 266: ok 12320 266: ok 12321 266: ok 12322 266: ok 12323 266: ok 12324 266: ok 12325 266: ok 12326 266: ok 12327 266: ok 12328 266: ok 12329 266: ok 12330 266: ok 12331 266: ok 12332 266: ok 12333 266: ok 12334 266: ok 12335 266: ok 12336 266: ok 12337 266: ok 12338 266: ok 12339 266: ok 12340 266: ok 12341 266: ok 12342 266: ok 12343 266: ok 12344 266: ok 12345 266: ok 12346 266: ok 12347 266: ok 12348 266: ok 12349 266: ok 12350 266: ok 12351 266: ok 12352 266: ok 12353 266: ok 12354 266: ok 12355 266: ok 12356 266: ok 12357 266: ok 12358 266: ok 12359 266: ok 12360 266: ok 12361 266: ok 12362 266: ok 12363 266: ok 12364 266: ok 12365 266: ok 12366 266: ok 12367 266: ok 12368 266: ok 12369 266: ok 12370 266: ok 12371 266: ok 12372 266: ok 12373 266: ok 12374 266: ok 12375 266: ok 12376 266: ok 12377 266: ok 12378 266: ok 12379 266: ok 12380 266: ok 12381 266: ok 12382 266: ok 12383 266: ok 12384 266: ok 12385 266: ok 12386 266: ok 12387 266: ok 12388 266: ok 12389 266: ok 12390 266: ok 12391 266: ok 12392 266: ok 12393 266: ok 12394 266: ok 12395 266: ok 12396 266: ok 12397 266: ok 12398 266: ok 12399 266: ok 12400 266: ok 12401 266: ok 12402 266: ok 12403 266: ok 12404 266: ok 12405 266: ok 12406 266: ok 12407 266: ok 12408 266: ok 12409 266: ok 12410 266: ok 12411 266: ok 12412 266: ok 12413 266: ok 12414 266: ok 12415 266: ok 12416 266: ok 12417 266: ok 12418 266: ok 12419 266: ok 12420 266: ok 12421 266: ok 12422 266: ok 12423 266: ok 12424 266: ok 12425 266: ok 12426 266: ok 12427 266: ok 12428 266: ok 12429 266: ok 12430 266: ok 12431 266: ok 12432 266: ok 12433 266: ok 12434 266: ok 12435 266: ok 12436 266: ok 12437 266: ok 12438 266: ok 12439 266: ok 12440 266: ok 12441 266: ok 12442 266: ok 12443 266: ok 12444 266: ok 12445 266: ok 12446 266: ok 12447 266: ok 12448 266: ok 12449 266: ok 12450 266: ok 12451 266: ok 12452 266: ok 12453 266: ok 12454 266: ok 12455 266: ok 12456 266: ok 12457 266: ok 12458 266: ok 12459 266: ok 12460 266: ok 12461 266: ok 12462 266: ok 12463 266: ok 12464 266: ok 12465 266: ok 12466 266: ok 12467 266: ok 12468 266: ok 12469 266: ok 12470 266: ok 12471 266: ok 12472 266: ok 12473 266: ok 12474 266: ok 12475 266: ok 12476 266: ok 12477 266: ok 12478 266: ok 12479 266: ok 12480 266: ok 12481 266: ok 12482 266: ok 12483 266: ok 12484 266: ok 12485 266: ok 12486 266: ok 12487 266: ok 12488 266: ok 12489 266: ok 12490 266: ok 12491 266: ok 12492 266: ok 12493 266: ok 12494 266: ok 12495 266: ok 12496 266: ok 12497 266: ok 12498 266: ok 12499 266: ok 12500 266: ok 12501 266: ok 12502 266: ok 12503 266: ok 12504 266: ok 12505 266: ok 12506 266: ok 12507 266: ok 12508 266: ok 12509 266: ok 12510 266: ok 12511 266: ok 12512 266: ok 12513 266: ok 12514 266: ok 12515 266: ok 12516 266: ok 12517 266: ok 12518 266: ok 12519 266: ok 12520 266: ok 12521 266: ok 12522 266: ok 12523 266: ok 12524 266: ok 12525 266: ok 12526 266: ok 12527 266: ok 12528 266: ok 12529 266: ok 12530 266: ok 12531 266: ok 12532 266: ok 12533 266: ok 12534 266: ok 12535 266: ok 12536 266: ok 12537 266: ok 12538 266: ok 12539 266: ok 12540 266: ok 12541 266: ok 12542 266: ok 12543 266: ok 12544 266: ok 12545 266: ok 12546 266: ok 12547 266: ok 12548 266: ok 12549 266: ok 12550 266: ok 12551 266: ok 12552 266: ok 12553 266: ok 12554 266: ok 12555 266: ok 12556 266: ok 12557 266: ok 12558 266: ok 12559 266: ok 12560 266: ok 12561 266: ok 12562 266: ok 12563 266: ok 12564 266: ok 12565 266: ok 12566 266: ok 12567 266: ok 12568 266: ok 12569 266: ok 12570 266: ok 12571 266: ok 12572 266: ok 12573 266: ok 12574 266: ok 12575 266: ok 12576 266: ok 12577 266: ok 12578 266: ok 12579 266: ok 12580 266: ok 12581 266: ok 12582 266: ok 12583 266: ok 12584 266: ok 12585 266: ok 12586 266: ok 12587 266: ok 12588 266: ok 12589 266: ok 12590 266: ok 12591 266: ok 12592 266: ok 12593 266: ok 12594 266: ok 12595 266: ok 12596 266: ok 12597 266: ok 12598 266: ok 12599 266: ok 12600 266: ok 12601 266: ok 12602 266: ok 12603 266: ok 12604 266: ok 12605 266: ok 12606 266: ok 12607 266: ok 12608 266: ok 12609 266: ok 12610 266: ok 12611 266: ok 12612 266: ok 12613 266: ok 12614 266: ok 12615 266: ok 12616 266: ok 12617 266: ok 12618 266: ok 12619 266: ok 12620 266: ok 12621 266: ok 12622 266: ok 12623 266: ok 12624 266: ok 12625 266: ok 12626 266: ok 12627 266: ok 12628 266: ok 12629 266: ok 12630 266: ok 12631 266: ok 12632 266: ok 12633 266: ok 12634 266: ok 12635 266: ok 12636 266: ok 12637 266: ok 12638 266: ok 12639 266: ok 12640 266: ok 12641 266: ok 12642 266: ok 12643 266: ok 12644 266: ok 12645 266: ok 12646 266: ok 12647 266: ok 12648 266: ok 12649 266: ok 12650 266: ok 12651 266: ok 12652 266: ok 12653 266: ok 12654 266: ok 12655 266: ok 12656 266: ok 12657 266: ok 12658 266: ok 12659 266: ok 12660 266: ok 12661 266: ok 12662 266: ok 12663 266: ok 12664 266: ok 12665 266: ok 12666 266: ok 12667 266: ok 12668 266: ok 12669 266: ok 12670 266: ok 12671 266: ok 12672 266: ok 12673 266: ok 12674 266: ok 12675 266: ok 12676 266: ok 12677 266: ok 12678 266: ok 12679 266: ok 12680 266: ok 12681 266: ok 12682 266: ok 12683 266: ok 12684 266: ok 12685 266: ok 12686 266: ok 12687 266: ok 12688 266: ok 12689 266: ok 12690 266: ok 12691 266: ok 12692 266: ok 12693 266: ok 12694 266: ok 12695 266: ok 12696 266: ok 12697 266: ok 12698 266: ok 12699 266: ok 12700 266: ok 12701 266: ok 12702 266: ok 12703 266: ok 12704 266: ok 12705 266: ok 12706 266: ok 12707 266: ok 12708 266: ok 12709 266: ok 12710 266: ok 12711 266: ok 12712 266: ok 12713 266: ok 12714 266: ok 12715 266: ok 12716 266: ok 12717 266: ok 12718 266: ok 12719 266: ok 12720 266: ok 12721 266: ok 12722 266: ok 12723 266: ok 12724 266: ok 12725 266: ok 12726 266: ok 12727 266: ok 12728 266: ok 12729 266: ok 12730 266: ok 12731 266: ok 12732 266: ok 12733 266: ok 12734 266: ok 12735 266: ok 12736 266: ok 12737 266: ok 12738 266: ok 12739 266: ok 12740 266: ok 12741 266: ok 12742 266: ok 12743 266: ok 12744 266: ok 12745 266: ok 12746 266: ok 12747 266: ok 12748 266: ok 12749 266: ok 12750 266: ok 12751 266: ok 12752 266: ok 12753 266: ok 12754 266: ok 12755 266: ok 12756 266: ok 12757 266: ok 12758 266: ok 12759 266: ok 12760 266: ok 12761 266: ok 12762 266: ok 12763 266: ok 12764 266: ok 12765 266: ok 12766 266: ok 12767 266: ok 12768 266: ok 12769 266: ok 12770 266: ok 12771 266: ok 12772 266: ok 12773 266: ok 12774 266: ok 12775 266: ok 12776 266: ok 12777 266: ok 12778 266: ok 12779 266: ok 12780 266: ok 12781 266: ok 12782 266: ok 12783 266: ok 12784 266: ok 12785 266: ok 12786 266: ok 12787 266: ok 12788 266: ok 12789 266: ok 12790 266: ok 12791 266: ok 12792 266: ok 12793 266: ok 12794 266: ok 12795 266: ok 12796 266: ok 12797 266: ok 12798 266: ok 12799 266: ok 12800 266: ok 12801 266: ok 12802 266: ok 12803 266: ok 12804 266: ok 12805 266: ok 12806 266: ok 12807 266: ok 12808 266: ok 12809 266: ok 12810 266: ok 12811 266: ok 12812 266: ok 12813 266: ok 12814 266: ok 12815 266: ok 12816 266: ok 12817 266: ok 12818 266: ok 12819 266: ok 12820 266: ok 12821 266: ok 12822 266: ok 12823 266: ok 12824 266: ok 12825 266: ok 12826 266: ok 12827 266: ok 12828 266: ok 12829 266: ok 12830 266: ok 12831 266: ok 12832 266: ok 12833 266: ok 12834 266: ok 12835 266: ok 12836 266: ok 12837 266: ok 12838 266: ok 12839 266: ok 12840 266: ok 12841 266: ok 12842 266: ok 12843 266: ok 12844 266: ok 12845 266: ok 12846 266: ok 12847 266: ok 12848 266: ok 12849 266: ok 12850 266: ok 12851 266: ok 12852 266: ok 12853 266: ok 12854 266: ok 12855 266: ok 12856 266: ok 12857 266: ok 12858 266: ok 12859 266: ok 12860 266: ok 12861 266: ok 12862 266: ok 12863 266: ok 12864 266: ok 12865 266: ok 12866 266: ok 12867 266: ok 12868 266: ok 12869 266: ok 12870 266: ok 12871 266: ok 12872 266: ok 12873 266: ok 12874 266: ok 12875 266: ok 12876 266: ok 12877 266: ok 12878 266: ok 12879 266: ok 12880 266: ok 12881 266: ok 12882 266: ok 12883 266: ok 12884 266: ok 12885 266: ok 12886 266: ok 12887 266: ok 12888 266: ok 12889 266: ok 12890 266: ok 12891 266: ok 12892 266: ok 12893 266: ok 12894 266: ok 12895 266: ok 12896 266: ok 12897 266: ok 12898 266: ok 12899 266: ok 12900 266: ok 12901 266: ok 12902 266: ok 12903 266: ok 12904 266: ok 12905 266: ok 12906 266: ok 12907 266: ok 12908 266: ok 12909 266: ok 12910 266: ok 12911 266: ok 12912 266: ok 12913 266: ok 12914 266: ok 12915 266: ok 12916 266: ok 12917 266: ok 12918 266: ok 12919 266: ok 12920 266: ok 12921 266: ok 12922 266: ok 12923 266: ok 12924 266: ok 12925 266: ok 12926 266: ok 12927 266: ok 12928 266: ok 12929 266: ok 12930 266: ok 12931 266: ok 12932 266: ok 12933 266: ok 12934 266: ok 12935 266: ok 12936 266: ok 12937 266: ok 12938 266: ok 12939 266: ok 12940 266: ok 12941 266: ok 12942 266: ok 12943 266: ok 12944 266: ok 12945 266: ok 12946 266: ok 12947 266: ok 12948 266: ok 12949 266: ok 12950 266: ok 12951 266: ok 12952 266: ok 12953 266: ok 12954 266: ok 12955 266: ok 12956 266: ok 12957 266: ok 12958 266: ok 12959 266: ok 12960 266: ok 12961 266: ok 12962 266: ok 12963 266: ok 12964 266: ok 12965 266: ok 12966 266: ok 12967 266: ok 12968 266: ok 12969 266: ok 12970 266: ok 12971 266: ok 12972 266: ok 12973 266: ok 12974 266: ok 12975 266: ok 12976 266: ok 12977 266: ok 12978 266: ok 12979 266: ok 12980 266: ok 12981 266: ok 12982 266: ok 12983 266: ok 12984 266: ok 12985 266: ok 12986 266: ok 12987 266: ok 12988 266: ok 12989 266: ok 12990 266: ok 12991 266: ok 12992 266: ok 12993 266: ok 12994 266: ok 12995 266: ok 12996 266: ok 12997 266: ok 12998 266: ok 12999 266: ok 13000 266: ok 13001 266: ok 13002 266: ok 13003 266: ok 13004 266: ok 13005 266: ok 13006 266: ok 13007 266: ok 13008 266: ok 13009 266: ok 13010 266: ok 13011 266: ok 13012 266: ok 13013 266: ok 13014 266: ok 13015 266: ok 13016 266: ok 13017 266: ok 13018 266: ok 13019 266: ok 13020 266: ok 13021 266: ok 13022 266: ok 13023 266: ok 13024 266: ok 13025 266: ok 13026 266: ok 13027 266: ok 13028 266: ok 13029 266: ok 13030 266: ok 13031 266: ok 13032 266: ok 13033 266: ok 13034 266: ok 13035 266: ok 13036 266: ok 13037 266: ok 13038 266: ok 13039 266: ok 13040 266: ok 13041 266: ok 13042 266: ok 13043 266: ok 13044 266: ok 13045 266: ok 13046 266: ok 13047 266: ok 13048 266: ok 13049 266: ok 13050 266: ok 13051 266: ok 13052 266: ok 13053 266: ok 13054 266: ok 13055 266: ok 13056 266: ok 13057 266: ok 13058 266: ok 13059 266: ok 13060 266: ok 13061 266: ok 13062 266: ok 13063 266: ok 13064 266: ok 13065 266: ok 13066 266: ok 13067 266: ok 13068 266: ok 13069 266: ok 13070 266: ok 13071 266: ok 13072 266: ok 13073 266: ok 13074 266: ok 13075 266: ok 13076 266: ok 13077 266: ok 13078 266: ok 13079 266: ok 13080 266: ok 13081 266: ok 13082 266: ok 13083 266: ok 13084 266: ok 13085 266: ok 13086 266: ok 13087 266: ok 13088 266: ok 13089 266: ok 13090 266: ok 13091 266: ok 13092 266: ok 13093 266: ok 13094 266: ok 13095 266: ok 13096 266: ok 13097 266: ok 13098 266: ok 13099 266: ok 13100 266: ok 13101 266: ok 13102 266: ok 13103 266: ok 13104 266: ok 13105 266: ok 13106 266: ok 13107 266: ok 13108 266: ok 13109 266: ok 13110 266: ok 13111 266: ok 13112 266: ok 13113 266: ok 13114 266: ok 13115 266: ok 13116 266: ok 13117 266: ok 13118 266: ok 13119 266: ok 13120 266: ok 13121 266: ok 13122 266: ok 13123 266: ok 13124 266: ok 13125 266: ok 13126 266: ok 13127 266: ok 13128 266: ok 13129 266: ok 13130 266: ok 13131 266: ok 13132 266: ok 13133 266: ok 13134 266: ok 13135 266: ok 13136 266: ok 13137 266: ok 13138 266: ok 13139 266: ok 13140 266: ok 13141 266: ok 13142 266: ok 13143 266: ok 13144 266: ok 13145 266: ok 13146 266: ok 13147 266: ok 13148 266: ok 13149 266: ok 13150 266: ok 13151 266: ok 13152 266: ok 13153 266: ok 13154 266: ok 13155 266: ok 13156 266: ok 13157 266: ok 13158 266: ok 13159 266: ok 13160 266: ok 13161 266: ok 13162 266: ok 13163 266: ok 13164 266: ok 13165 266: ok 13166 266: ok 13167 266: ok 13168 266: ok 13169 266: ok 13170 266: ok 13171 266: ok 13172 266: ok 13173 266: ok 13174 266: ok 13175 266: ok 13176 266: ok 13177 266: ok 13178 266: ok 13179 266: ok 13180 266: ok 13181 266: ok 13182 266: ok 13183 266: ok 13184 266: ok 13185 266: ok 13186 266: ok 13187 266: ok 13188 266: ok 13189 266: ok 13190 266: ok 13191 266: ok 13192 266: ok 13193 266: ok 13194 266: ok 13195 266: ok 13196 266: ok 13197 266: ok 13198 266: ok 13199 266: ok 13200 266: ok 13201 266: ok 13202 266: ok 13203 266: ok 13204 266: ok 13205 266: ok 13206 266: ok 13207 266: ok 13208 266: ok 13209 266: ok 13210 266: ok 13211 266: ok 13212 266: ok 13213 266: ok 13214 266: ok 13215 266: ok 13216 266: ok 13217 266: ok 13218 266: ok 13219 266: ok 13220 266: ok 13221 266: ok 13222 266: ok 13223 266: ok 13224 266: ok 13225 266: ok 13226 266: ok 13227 266: ok 13228 266: ok 13229 266: ok 13230 266: ok 13231 266: ok 13232 266: ok 13233 266: ok 13234 266: ok 13235 266: ok 13236 266: ok 13237 266: ok 13238 266: ok 13239 266: ok 13240 266: ok 13241 266: ok 13242 266: ok 13243 266: ok 13244 266: ok 13245 266: ok 13246 266: ok 13247 266: ok 13248 266: ok 13249 266: ok 13250 266: ok 13251 266: ok 13252 266: ok 13253 266: ok 13254 266: ok 13255 266: ok 13256 266: ok 13257 266: ok 13258 266: ok 13259 266: ok 13260 266: ok 13261 266: ok 13262 266: ok 13263 266: ok 13264 266: ok 13265 266: ok 13266 266: ok 13267 266: ok 13268 266: ok 13269 266: ok 13270 266: ok 13271 266: ok 13272 266: ok 13273 266: ok 13274 266: ok 13275 266: ok 13276 266: ok 13277 266: ok 13278 266: ok 13279 266: ok 13280 266: ok 13281 266: ok 13282 266: ok 13283 266: ok 13284 266: ok 13285 266: ok 13286 266: ok 13287 266: ok 13288 266: ok 13289 266: ok 13290 266: ok 13291 266: ok 13292 266: ok 13293 266: ok 13294 266: ok 13295 266: ok 13296 266: ok 13297 266: ok 13298 266: ok 13299 266: ok 13300 266: ok 13301 266: ok 13302 266: ok 13303 266: ok 13304 266: ok 13305 266: ok 13306 266: ok 13307 266: ok 13308 266: ok 13309 266: ok 13310 266: ok 13311 266: ok 13312 266: ok 13313 266: ok 13314 266: ok 13315 266: ok 13316 266: ok 13317 266: ok 13318 266: ok 13319 266: ok 13320 266: ok 13321 266: ok 13322 266: ok 13323 266: ok 13324 266: ok 13325 266: ok 13326 266: ok 13327 266: ok 13328 266: ok 13329 266: ok 13330 266: ok 13331 266: ok 13332 266: ok 13333 266: ok 13334 266: ok 13335 266: ok 13336 266: ok 13337 266: ok 13338 266: ok 13339 266: ok 13340 266: ok 13341 266: ok 13342 266: ok 13343 266: ok 13344 266: ok 13345 266: ok 13346 266: ok 13347 266: ok 13348 266: ok 13349 266: ok 13350 266: ok 13351 266: ok 13352 266: ok 13353 266: ok 13354 266: ok 13355 266: ok 13356 266: ok 13357 266: ok 13358 266: ok 13359 266: ok 13360 266: ok 13361 266: ok 13362 266: ok 13363 266: ok 13364 266: ok 13365 266: ok 13366 266: ok 13367 266: ok 13368 266: ok 13369 266: ok 13370 266: ok 13371 266: ok 13372 266: ok 13373 266: ok 13374 266: ok 13375 266: ok 13376 266: ok 13377 266: ok 13378 266: ok 13379 266: ok 13380 266: ok 13381 266: ok 13382 266: ok 13383 266: ok 13384 266: ok 13385 266: ok 13386 266: ok 13387 266: ok 13388 266: ok 13389 266: ok 13390 266: ok 13391 266: ok 13392 266: ok 13393 266: ok 13394 266: ok 13395 266: ok 13396 266: ok 13397 266: ok 13398 266: ok 13399 266: ok 13400 266: ok 13401 266: ok 13402 266: ok 13403 266: ok 13404 266: ok 13405 266: ok 13406 266: ok 13407 266: ok 13408 266: ok 13409 266: ok 13410 266: ok 13411 266: ok 13412 266: ok 13413 266: ok 13414 266: ok 13415 266: ok 13416 266: ok 13417 266: ok 13418 266: ok 13419 266: ok 13420 266: ok 13421 266: ok 13422 266: ok 13423 266: ok 13424 266: ok 13425 266: ok 13426 266: ok 13427 266: ok 13428 266: ok 13429 266: ok 13430 266: ok 13431 266: ok 13432 266: ok 13433 266: ok 13434 266: ok 13435 266: ok 13436 266: ok 13437 266: ok 13438 266: ok 13439 266: ok 13440 266: ok 13441 266: ok 13442 266: ok 13443 266: ok 13444 266: ok 13445 266: ok 13446 266: ok 13447 266: ok 13448 266: ok 13449 266: ok 13450 266: ok 13451 266: ok 13452 266: ok 13453 266: ok 13454 266: ok 13455 266: ok 13456 266: ok 13457 266: ok 13458 266: ok 13459 266: ok 13460 266: ok 13461 266: ok 13462 266: ok 13463 266: ok 13464 266: ok 13465 266: ok 13466 266: ok 13467 266: ok 13468 266: ok 13469 266: ok 13470 266: ok 13471 266: ok 13472 266: ok 13473 266: ok 13474 266: ok 13475 266: ok 13476 266: ok 13477 266: ok 13478 266: ok 13479 266: ok 13480 266: ok 13481 266: ok 13482 266: ok 13483 266: ok 13484 266: ok 13485 266: ok 13486 266: ok 13487 266: ok 13488 266: ok 13489 266: ok 13490 266: ok 13491 266: ok 13492 266: ok 13493 266: ok 13494 266: ok 13495 266: ok 13496 266: ok 13497 266: ok 13498 266: ok 13499 266: ok 13500 266: ok 13501 266: ok 13502 266: ok 13503 266: ok 13504 266: ok 13505 266: ok 13506 266: ok 13507 266: ok 13508 266: ok 13509 266: ok 13510 266: ok 13511 266: ok 13512 266: ok 13513 266: ok 13514 266: ok 13515 266: ok 13516 266: ok 13517 266: ok 13518 266: ok 13519 266: ok 13520 266: ok 13521 266: ok 13522 266: ok 13523 266: ok 13524 266: ok 13525 266: ok 13526 266: ok 13527 266: ok 13528 266: ok 13529 266: ok 13530 266: ok 13531 266: ok 13532 266: ok 13533 266: ok 13534 266: ok 13535 266: ok 13536 266: ok 13537 266: ok 13538 266: ok 13539 266: ok 13540 266: ok 13541 266: ok 13542 266: ok 13543 266: ok 13544 266: ok 13545 266: ok 13546 266: ok 13547 266: ok 13548 266: ok 13549 266: ok 13550 266: ok 13551 266: ok 13552 266: ok 13553 266: ok 13554 266: ok 13555 266: ok 13556 266: ok 13557 266: ok 13558 266: ok 13559 266: ok 13560 266: ok 13561 266: ok 13562 266: ok 13563 266: ok 13564 266: ok 13565 266: ok 13566 266: ok 13567 266: ok 13568 266: ok 13569 266: ok 13570 266: ok 13571 266: ok 13572 266: ok 13573 266: ok 13574 266: ok 13575 266: ok 13576 266: ok 13577 266: ok 13578 266: ok 13579 266: ok 13580 266: ok 13581 266: ok 13582 266: ok 13583 266: ok 13584 266: ok 13585 266: ok 13586 266: ok 13587 266: ok 13588 266: ok 13589 266: ok 13590 266: ok 13591 266: ok 13592 266: ok 13593 266: ok 13594 266: ok 13595 266: ok 13596 266: ok 13597 266: ok 13598 266: ok 13599 266: ok 13600 266: ok 13601 266: ok 13602 266: ok 13603 266: ok 13604 266: ok 13605 266: ok 13606 266: ok 13607 266: ok 13608 266: ok 13609 266: ok 13610 266: ok 13611 266: ok 13612 266: ok 13613 266: ok 13614 266: ok 13615 266: ok 13616 266: ok 13617 266: ok 13618 266: ok 13619 266: ok 13620 266: ok 13621 266: ok 13622 266: ok 13623 266: ok 13624 266: ok 13625 266: ok 13626 266: ok 13627 266: ok 13628 266: ok 13629 266: ok 13630 266: ok 13631 266: ok 13632 266: ok 13633 266: ok 13634 266: ok 13635 266: ok 13636 266: ok 13637 266: ok 13638 266: ok 13639 266: ok 13640 266: ok 13641 266: ok 13642 266: ok 13643 266: ok 13644 266: ok 13645 266: ok 13646 266: ok 13647 266: ok 13648 266: ok 13649 266: ok 13650 266: ok 13651 266: ok 13652 266: ok 13653 266: ok 13654 266: ok 13655 266: ok 13656 266: ok 13657 266: ok 13658 266: ok 13659 266: ok 13660 266: ok 13661 266: ok 13662 266: ok 13663 266: ok 13664 266: ok 13665 266: ok 13666 266: ok 13667 266: ok 13668 266: ok 13669 266: ok 13670 266: ok 13671 266: ok 13672 266: ok 13673 266: ok 13674 266: ok 13675 266: ok 13676 266: ok 13677 266: ok 13678 266: ok 13679 266: ok 13680 266: ok 13681 266: ok 13682 266: ok 13683 266: ok 13684 266: ok 13685 266: ok 13686 266: ok 13687 266: ok 13688 266: ok 13689 266: ok 13690 266: ok 13691 266: ok 13692 266: ok 13693 266: ok 13694 266: ok 13695 266: ok 13696 266: ok 13697 266: ok 13698 266: ok 13699 266: ok 13700 266: ok 13701 266: ok 13702 266: ok 13703 266: ok 13704 266: ok 13705 266: ok 13706 266: ok 13707 266: ok 13708 266: ok 13709 266: ok 13710 266: ok 13711 266: ok 13712 266: ok 13713 266: ok 13714 266: ok 13715 266: ok 13716 266: ok 13717 266: ok 13718 266: ok 13719 266: ok 13720 266: ok 13721 266: ok 13722 266: ok 13723 266: ok 13724 266: ok 13725 266: ok 13726 266: ok 13727 266: ok 13728 266: ok 13729 266: ok 13730 266: ok 13731 266: ok 13732 266: ok 13733 266: ok 13734 266: ok 13735 266: ok 13736 266: ok 13737 266: ok 13738 266: ok 13739 266: ok 13740 266: ok 13741 266: ok 13742 266: ok 13743 266: ok 13744 266: ok 13745 266: ok 13746 266: ok 13747 266: ok 13748 266: ok 13749 266: ok 13750 266: ok 13751 266: ok 13752 266: ok 13753 266: ok 13754 266: ok 13755 266: ok 13756 266: ok 13757 266: ok 13758 266: ok 13759 266: ok 13760 266: ok 13761 266: ok 13762 266: ok 13763 266: ok 13764 266: ok 13765 266: ok 13766 266: ok 13767 266: ok 13768 266: ok 13769 266: ok 13770 266: ok 13771 266: ok 13772 266: ok 13773 266: ok 13774 266: ok 13775 266: ok 13776 266: ok 13777 266: ok 13778 266: ok 13779 266: ok 13780 266: ok 13781 266: ok 13782 266: ok 13783 266: ok 13784 266: ok 13785 266: ok 13786 266: ok 13787 266: ok 13788 266: ok 13789 266: ok 13790 266: ok 13791 266: ok 13792 266: ok 13793 266: ok 13794 266: ok 13795 266: ok 13796 266: ok 13797 266: ok 13798 266: ok 13799 266: ok 13800 266: ok 13801 266: ok 13802 266: ok 13803 266: ok 13804 266: ok 13805 266: ok 13806 266: ok 13807 266: ok 13808 266: ok 13809 266: ok 13810 266: ok 13811 266: ok 13812 266: ok 13813 266: ok 13814 266: ok 13815 266: ok 13816 266: ok 13817 266: ok 13818 266: ok 13819 266: ok 13820 266: ok 13821 266: ok 13822 266: ok 13823 266: ok 13824 266: ok 13825 266: ok 13826 266: ok 13827 266: ok 13828 266: ok 13829 266: ok 13830 266: ok 13831 266: ok 13832 266: ok 13833 266: ok 13834 266: ok 13835 266: ok 13836 266: ok 13837 266: ok 13838 266: ok 13839 266: ok 13840 266: ok 13841 266: ok 13842 266: ok 13843 266: ok 13844 266: ok 13845 266: ok 13846 266: ok 13847 266: ok 13848 266: ok 13849 266: ok 13850 266: ok 13851 266: ok 13852 266: ok 13853 266: ok 13854 266: ok 13855 266: ok 13856 266: ok 13857 266: ok 13858 266: ok 13859 266: ok 13860 266: ok 13861 266: ok 13862 266: ok 13863 266: ok 13864 266: ok 13865 266: ok 13866 266: ok 13867 266: ok 13868 266: ok 13869 266: ok 13870 266: ok 13871 266: ok 13872 266: ok 13873 266: ok 13874 266: ok 13875 266: ok 13876 266: ok 13877 266: ok 13878 266: ok 13879 266: ok 13880 266: ok 13881 266: ok 13882 266: ok 13883 266: ok 13884 266: ok 13885 266: ok 13886 266: ok 13887 266: ok 13888 266: ok 13889 266: ok 13890 266: ok 13891 266: ok 13892 266: ok 13893 266: ok 13894 266: ok 13895 266: ok 13896 266: ok 13897 266: ok 13898 266: ok 13899 266: ok 13900 266: ok 13901 266: ok 13902 266: ok 13903 266: ok 13904 266: ok 13905 266: ok 13906 266: ok 13907 266: ok 13908 266: ok 13909 266: ok 13910 266: ok 13911 266: ok 13912 266: ok 13913 266: ok 13914 266: ok 13915 266: ok 13916 266: ok 13917 266: ok 13918 266: ok 13919 266: ok 13920 266: ok 13921 266: ok 13922 266: ok 13923 266: ok 13924 266: ok 13925 266: ok 13926 266: ok 13927 266: ok 13928 266: ok 13929 266: ok 13930 266: ok 13931 266: ok 13932 266: ok 13933 266: ok 13934 266: ok 13935 266: ok 13936 266: ok 13937 266: ok 13938 266: ok 13939 266: ok 13940 266: ok 13941 266: ok 13942 266: ok 13943 266: ok 13944 266: ok 13945 266: ok 13946 266: ok 13947 266: ok 13948 266: ok 13949 266: ok 13950 266: ok 13951 266: ok 13952 266: ok 13953 266: ok 13954 266: ok 13955 266: ok 13956 266: ok 13957 266: ok 13958 266: ok 13959 266: ok 13960 266: ok 13961 266: ok 13962 266: ok 13963 266: ok 13964 266: ok 13965 266: ok 13966 266: ok 13967 266: ok 13968 266: ok 13969 266: ok 13970 266: ok 13971 266: ok 13972 266: ok 13973 266: ok 13974 266: ok 13975 266: ok 13976 266: ok 13977 266: ok 13978 266: ok 13979 266: ok 13980 266: ok 13981 266: ok 13982 266: ok 13983 266: ok 13984 266: ok 13985 266: ok 13986 266: ok 13987 266: ok 13988 266: ok 13989 266: ok 13990 266: ok 13991 266: ok 13992 266: ok 13993 266: ok 13994 266: ok 13995 266: ok 13996 266: ok 13997 266: ok 13998 266: ok 13999 266: ok 14000 266: ok 14001 266: ok 14002 266: ok 14003 266: ok 14004 266: ok 14005 266: ok 14006 266: ok 14007 266: ok 14008 266: ok 14009 266: ok 14010 266: ok 14011 266: ok 14012 266: ok 14013 266: ok 14014 266: ok 14015 266: ok 14016 266: ok 14017 266: ok 14018 266: ok 14019 266: ok 14020 266: ok 14021 266: ok 14022 266: ok 14023 266: ok 14024 266: ok 14025 266: ok 14026 266: ok 14027 266: ok 14028 266: ok 14029 266: ok 14030 266: ok 14031 266: ok 14032 266: ok 14033 266: ok 14034 266: ok 14035 266: ok 14036 266: ok 14037 266: ok 14038 266: ok 14039 266: ok 14040 266: ok 14041 266: ok 14042 266: ok 14043 266: ok 14044 266: ok 14045 266: ok 14046 266: ok 14047 266: ok 14048 266: ok 14049 266: ok 14050 266: ok 14051 266: ok 14052 266: ok 14053 266: ok 14054 266: ok 14055 266: ok 14056 266: ok 14057 266: ok 14058 266: ok 14059 266: ok 14060 266: ok 14061 266: ok 14062 266: ok 14063 266: ok 14064 266: ok 14065 266: ok 14066 266: ok 14067 266: ok 14068 266: ok 14069 266: ok 14070 266: ok 14071 266: ok 14072 266: ok 14073 266: ok 14074 266: ok 14075 266: ok 14076 266: ok 14077 266: ok 14078 266: ok 14079 266: ok 14080 266: ok 14081 266: ok 14082 266: ok 14083 266: ok 14084 266: ok 14085 266: ok 14086 266: ok 14087 266: ok 14088 266: ok 14089 266: ok 14090 266: ok 14091 266: ok 14092 266: ok 14093 266: ok 14094 266: ok 14095 266: ok 14096 266: ok 14097 266: ok 14098 266: ok 14099 266: ok 14100 266: ok 14101 266: ok 14102 266: ok 14103 266: ok 14104 266: ok 14105 266: ok 14106 266: ok 14107 266: ok 14108 266: ok 14109 266: ok 14110 266: ok 14111 266: ok 14112 266: ok 14113 266: ok 14114 266: ok 14115 266: ok 14116 266: ok 14117 266: ok 14118 266: ok 14119 266: ok 14120 266: ok 14121 266: ok 14122 266: ok 14123 266: ok 14124 266: ok 14125 266: ok 14126 266: ok 14127 266: ok 14128 266: ok 14129 266: ok 14130 266: ok 14131 266: ok 14132 266: ok 14133 266: ok 14134 266: ok 14135 266: ok 14136 266: ok 14137 266: ok 14138 266: ok 14139 266: ok 14140 266: ok 14141 266: ok 14142 266: ok 14143 266: ok 14144 266: ok 14145 266: ok 14146 266: ok 14147 266: ok 14148 266: ok 14149 266: ok 14150 266: ok 14151 266: ok 14152 266: ok 14153 266: ok 14154 266: ok 14155 266: ok 14156 266: ok 14157 266: ok 14158 266: ok 14159 266: ok 14160 266: ok 14161 266: ok 14162 266: ok 14163 266: ok 14164 266: ok 14165 266: ok 14166 266: ok 14167 266: ok 14168 266: ok 14169 266: ok 14170 266: ok 14171 266: ok 14172 266: ok 14173 266: ok 14174 266: ok 14175 266: ok 14176 266: ok 14177 266: ok 14178 266: ok 14179 266: ok 14180 266: ok 14181 266: ok 14182 266: ok 14183 266: ok 14184 266: ok 14185 266: ok 14186 266: ok 14187 266: ok 14188 266: ok 14189 266: ok 14190 266: ok 14191 266: ok 14192 266: ok 14193 266: ok 14194 266: ok 14195 266: ok 14196 266: ok 14197 266: ok 14198 266: ok 14199 266: ok 14200 266: ok 14201 266: ok 14202 266: ok 14203 266: ok 14204 266: ok 14205 266: ok 14206 266: ok 14207 266: ok 14208 266: ok 14209 266: ok 14210 266: ok 14211 266: ok 14212 266: ok 14213 266: ok 14214 266: ok 14215 266: ok 14216 266: ok 14217 266: ok 14218 266: ok 14219 266: ok 14220 266: ok 14221 266: ok 14222 266: ok 14223 266: ok 14224 266: ok 14225 266: ok 14226 266: ok 14227 266: ok 14228 266: ok 14229 266: ok 14230 266: ok 14231 266: ok 14232 266: ok 14233 266: ok 14234 266: ok 14235 266: ok 14236 266: ok 14237 266: ok 14238 266: ok 14239 266: ok 14240 266: ok 14241 266: ok 14242 266: ok 14243 266: ok 14244 266: ok 14245 266: ok 14246 266: ok 14247 266: ok 14248 266: ok 14249 266: ok 14250 266: ok 14251 266: ok 14252 266: ok 14253 266: ok 14254 266: ok 14255 266: ok 14256 266: ok 14257 266: ok 14258 266: ok 14259 266: ok 14260 266: ok 14261 266: ok 14262 266: ok 14263 266: ok 14264 266: ok 14265 266: ok 14266 266: ok 14267 266: ok 14268 266: ok 14269 266: ok 14270 266: ok 14271 266: ok 14272 266: ok 14273 266: ok 14274 266: ok 14275 266: ok 14276 266: ok 14277 266: ok 14278 266: ok 14279 266: ok 14280 266: ok 14281 266: ok 14282 266: ok 14283 266: ok 14284 266: ok 14285 266: ok 14286 266: ok 14287 266: ok 14288 266: ok 14289 266: ok 14290 266: ok 14291 266: ok 14292 266: ok 14293 266: ok 14294 266: ok 14295 266: ok 14296 266: ok 14297 266: ok 14298 266: ok 14299 266: ok 14300 266: ok 14301 266: ok 14302 266: ok 14303 266: ok 14304 266: ok 14305 266: ok 14306 266: ok 14307 266: ok 14308 266: ok 14309 266: ok 14310 266: ok 14311 266: ok 14312 266: ok 14313 266: ok 14314 266: ok 14315 266: ok 14316 266: ok 14317 266: ok 14318 266: ok 14319 266: ok 14320 266: ok 14321 266: ok 14322 266: ok 14323 266: ok 14324 266: ok 14325 266: ok 14326 266: ok 14327 266: ok 14328 266: ok 14329 266: ok 14330 266: ok 14331 266: ok 14332 266: ok 14333 266: ok 14334 266: ok 14335 266: ok 14336 266: ok 14337 266: ok 14338 266: ok 14339 266: ok 14340 266: ok 14341 266: ok 14342 266: ok 14343 266: ok 14344 266: ok 14345 266: ok 14346 266: ok 14347 266: ok 14348 266: ok 14349 266: ok 14350 266: ok 14351 266: ok 14352 266: ok 14353 266: ok 14354 266: ok 14355 266: ok 14356 266: ok 14357 266: ok 14358 266: ok 14359 266: ok 14360 266: ok 14361 266: ok 14362 266: ok 14363 266: ok 14364 266: ok 14365 266: ok 14366 266: ok 14367 266: ok 14368 266: ok 14369 266: ok 14370 266: ok 14371 266: ok 14372 266: ok 14373 266: ok 14374 266: ok 14375 266: ok 14376 266: ok 14377 266: ok 14378 266: ok 14379 266: ok 14380 266: ok 14381 266: ok 14382 266: ok 14383 266: ok 14384 266: ok 14385 266: ok 14386 266: ok 14387 266: ok 14388 266: ok 14389 266: ok 14390 266: ok 14391 266: ok 14392 266: ok 14393 266: ok 14394 266: ok 14395 266: ok 14396 266: ok 14397 266: ok 14398 266: ok 14399 266: ok 14400 266: ok 14401 266: ok 14402 266: ok 14403 266: ok 14404 266: ok 14405 266: ok 14406 266: ok 14407 266: ok 14408 266: ok 14409 266: ok 14410 266: ok 14411 266: ok 14412 266: ok 14413 266: ok 14414 266: ok 14415 266: ok 14416 266: ok 14417 266: ok 14418 266: ok 14419 266: ok 14420 266: ok 14421 266: ok 14422 266: ok 14423 266: ok 14424 266: ok 14425 266: ok 14426 266: ok 14427 266: ok 14428 266: ok 14429 266: ok 14430 266: ok 14431 266: ok 14432 266: ok 14433 266: ok 14434 266: ok 14435 266: ok 14436 266: ok 14437 266: ok 14438 266: ok 14439 266: ok 14440 266: ok 14441 266: ok 14442 266: ok 14443 266: ok 14444 266: ok 14445 266: ok 14446 266: ok 14447 266: ok 14448 266: ok 14449 266: ok 14450 266: ok 14451 266: ok 14452 266: ok 14453 266: ok 14454 266: ok 14455 266: ok 14456 266: ok 14457 266: ok 14458 266: ok 14459 266: ok 14460 266: ok 14461 266: ok 14462 266: ok 14463 266: ok 14464 266: ok 14465 266: ok 14466 266: ok 14467 266: ok 14468 266: ok 14469 266: ok 14470 266: ok 14471 266: ok 14472 266: ok 14473 266: ok 14474 266: ok 14475 266: ok 14476 266: ok 14477 266: ok 14478 266: ok 14479 266: ok 14480 266: ok 14481 266: ok 14482 266: ok 14483 266: ok 14484 266: ok 14485 266: ok 14486 266: ok 14487 266: ok 14488 266: ok 14489 266: ok 14490 266: ok 14491 266: ok 14492 266: ok 14493 266: ok 14494 266: ok 14495 266: ok 14496 266: ok 14497 266: ok 14498 266: ok 14499 266: ok 14500 266: ok 14501 266: ok 14502 266: ok 14503 266: ok 14504 266: ok 14505 266: ok 14506 266: ok 14507 266: ok 14508 266: ok 14509 266: ok 14510 266: ok 14511 266: ok 14512 266: ok 14513 266: ok 14514 266: ok 14515 266: ok 14516 266: ok 14517 266: ok 14518 266: ok 14519 266: ok 14520 266: ok 14521 266: ok 14522 266: ok 14523 266: ok 14524 266: ok 14525 266: ok 14526 266: ok 14527 266: ok 14528 266: ok 14529 266: ok 14530 266: ok 14531 266: ok 14532 266: ok 14533 266: ok 14534 266: ok 14535 266: ok 14536 266: ok 14537 266: ok 14538 266: ok 14539 266: ok 14540 266: ok 14541 266: ok 14542 266: ok 14543 266: ok 14544 266: ok 14545 266: ok 14546 266: ok 14547 266: ok 14548 266: ok 14549 266: ok 14550 266: ok 14551 266: ok 14552 266: ok 14553 266: ok 14554 266: ok 14555 266: ok 14556 266: ok 14557 266: ok 14558 266: ok 14559 266: ok 14560 266: ok 14561 266: ok 14562 266: ok 14563 266: ok 14564 266: ok 14565 266: ok 14566 266: ok 14567 266: ok 14568 266: ok 14569 266: ok 14570 266: ok 14571 266: ok 14572 266: ok 14573 266: ok 14574 266: ok 14575 266: ok 14576 266: ok 14577 266: ok 14578 266: ok 14579 266: ok 14580 266: ok 14581 266: ok 14582 266: ok 14583 266: ok 14584 266: ok 14585 266: ok 14586 266: ok 14587 266: ok 14588 266: ok 14589 266: ok 14590 266: ok 14591 266: ok 14592 266: ok 14593 266: ok 14594 266: ok 14595 266: ok 14596 266: ok 14597 266: ok 14598 266: ok 14599 266: ok 14600 266: ok 14601 266: ok 14602 266: ok 14603 266: ok 14604 266: ok 14605 266: ok 14606 266: ok 14607 266: ok 14608 266: ok 14609 266: ok 14610 266: ok 14611 266: ok 14612 266: ok 14613 266: ok 14614 266: ok 14615 266: ok 14616 266: ok 14617 266: ok 14618 266: ok 14619 266: ok 14620 266: ok 14621 266: ok 14622 266: ok 14623 266: ok 14624 266: ok 14625 266: ok 14626 266: ok 14627 266: ok 14628 266: ok 14629 266: ok 14630 266: ok 14631 266: ok 14632 266: ok 14633 266: ok 14634 266: ok 14635 266: ok 14636 266: ok 14637 266: ok 14638 266: ok 14639 266: ok 14640 266: ok 14641 266: ok 14642 266: ok 14643 266: ok 14644 266: ok 14645 266: ok 14646 266: ok 14647 266: ok 14648 266: ok 14649 266: ok 14650 266: ok 14651 266: ok 14652 266: ok 14653 266: ok 14654 266: ok 14655 266: ok 14656 266: ok 14657 266: ok 14658 266: ok 14659 266: ok 14660 266: ok 14661 266: ok 14662 266: ok 14663 266: ok 14664 266: ok 14665 266: ok 14666 266: ok 14667 266: ok 14668 266: ok 14669 266: ok 14670 266: ok 14671 266: ok 14672 266: ok 14673 266: ok 14674 266: ok 14675 266: ok 14676 266: ok 14677 266: ok 14678 266: ok 14679 266: ok 14680 266: ok 14681 266: ok 14682 266: ok 14683 266: ok 14684 266: ok 14685 266: ok 14686 266: ok 14687 266: ok 14688 266: ok 14689 266: ok 14690 266: ok 14691 266: ok 14692 266: ok 14693 266: ok 14694 266: ok 14695 266: ok 14696 266: ok 14697 266: ok 14698 266: ok 14699 266: ok 14700 266: ok 14701 266: ok 14702 266: ok 14703 266: ok 14704 266: ok 14705 266: ok 14706 266: ok 14707 266: ok 14708 266: ok 14709 266: ok 14710 266: ok 14711 266: ok 14712 266: ok 14713 266: ok 14714 266: ok 14715 266: ok 14716 266: ok 14717 266: ok 14718 266: ok 14719 266: ok 14720 266: ok 14721 266: ok 14722 266: ok 14723 266: ok 14724 266: ok 14725 266: ok 14726 266: ok 14727 266: ok 14728 266: ok 14729 266: ok 14730 266: ok 14731 266: ok 14732 266: ok 14733 266: ok 14734 266: ok 14735 266: ok 14736 266: ok 14737 266: ok 14738 266: ok 14739 266: ok 14740 266: ok 14741 266: ok 14742 266: ok 14743 266: ok 14744 266: ok 14745 266: ok 14746 266: ok 14747 266: ok 14748 266: ok 14749 266: ok 14750 266: ok 14751 266: ok 14752 266: ok 14753 266: ok 14754 266: ok 14755 266: ok 14756 266: ok 14757 266: ok 14758 266: ok 14759 266: ok 14760 266: ok 14761 266: ok 14762 266: ok 14763 266: ok 14764 266: ok 14765 266: ok 14766 266: ok 14767 266: ok 14768 266: ok 14769 266: ok 14770 266: ok 14771 266: ok 14772 266: ok 14773 266: ok 14774 266: ok 14775 266: ok 14776 266: ok 14777 266: ok 14778 266: ok 14779 266: ok 14780 266: ok 14781 266: ok 14782 266: ok 14783 266: ok 14784 266: ok 14785 266: ok 14786 266: ok 14787 266: ok 14788 266: ok 14789 266: ok 14790 266: ok 14791 266: ok 14792 266: ok 14793 266: ok 14794 266: ok 14795 266: ok 14796 266: ok 14797 266: ok 14798 266: ok 14799 266: ok 14800 266: ok 14801 266: ok 14802 266: ok 14803 266: ok 14804 266: ok 14805 266: ok 14806 266: ok 14807 266: ok 14808 266: ok 14809 266: ok 14810 266: ok 14811 266: ok 14812 266: ok 14813 266: ok 14814 266: ok 14815 266: ok 14816 266: ok 14817 266: ok 14818 266: ok 14819 266: ok 14820 266: ok 14821 266: ok 14822 266: ok 14823 266: ok 14824 266: ok 14825 266: ok 14826 266: ok 14827 266: ok 14828 266: ok 14829 266: ok 14830 266: ok 14831 266: ok 14832 266: ok 14833 266: ok 14834 266: ok 14835 266: ok 14836 266: ok 14837 266: ok 14838 266: ok 14839 266: ok 14840 266: ok 14841 266: ok 14842 266: ok 14843 266: ok 14844 266: ok 14845 266: ok 14846 266: ok 14847 266: ok 14848 266: ok 14849 266: ok 14850 266: ok 14851 266: ok 14852 266: ok 14853 266: ok 14854 266: ok 14855 266: ok 14856 266: ok 14857 266: ok 14858 266: ok 14859 266: ok 14860 266: ok 14861 266: ok 14862 266: ok 14863 266: ok 14864 266: ok 14865 266: ok 14866 266: ok 14867 266: ok 14868 266: ok 14869 266: ok 14870 266: ok 14871 266: ok 14872 266: ok 14873 266: ok 14874 266: ok 14875 266: ok 14876 266: ok 14877 266: ok 14878 266: ok 14879 266: ok 14880 266: ok 14881 266: ok 14882 266: ok 14883 266: ok 14884 266: ok 14885 266: ok 14886 266: ok 14887 266: ok 14888 266: ok 14889 266: ok 14890 266: ok 14891 266: ok 14892 266: ok 14893 266: ok 14894 266: ok 14895 266: ok 14896 266: ok 14897 266: ok 14898 266: ok 14899 266: ok 14900 266: ok 14901 266: ok 14902 266: ok 14903 266: ok 14904 266: ok 14905 266: ok 14906 266: ok 14907 266: ok 14908 266: ok 14909 266: ok 14910 266: ok 14911 266: ok 14912 266: ok 14913 266: ok 14914 266: ok 14915 266: ok 14916 266: ok 14917 266: ok 14918 266: ok 14919 266: ok 14920 266: ok 14921 266: ok 14922 266: ok 14923 266: ok 14924 266: ok 14925 266: ok 14926 266: ok 14927 266: ok 14928 266: ok 14929 266: ok 14930 266: ok 14931 266: ok 14932 266: ok 14933 266: ok 14934 266: ok 14935 266: ok 14936 266: ok 14937 266: ok 14938 266: ok 14939 266: ok 14940 266: ok 14941 266: ok 14942 266: ok 14943 266: ok 14944 266: ok 14945 266: ok 14946 266: ok 14947 266: ok 14948 266: ok 14949 266: ok 14950 266: ok 14951 266: ok 14952 266: ok 14953 266: ok 14954 266: ok 14955 266: ok 14956 266: ok 14957 266: ok 14958 266: ok 14959 266: ok 14960 266: ok 14961 266: ok 14962 266: ok 14963 266: ok 14964 266: ok 14965 266: ok 14966 266: ok 14967 266: ok 14968 266: ok 14969 266: ok 14970 266: ok 14971 266: ok 14972 266: ok 14973 266: ok 14974 266: ok 14975 266: ok 14976 266: ok 14977 266: ok 14978 266: ok 14979 266: ok 14980 266: ok 14981 266: ok 14982 266: ok 14983 266: ok 14984 266: ok 14985 266: ok 14986 266: ok 14987 266: ok 14988 266: ok 14989 266: ok 14990 266: ok 14991 266: ok 14992 266: ok 14993 266: ok 14994 266: ok 14995 266: ok 14996 266: ok 14997 266: ok 14998 266: ok 14999 266: ok 15000 266: ok 15001 266: ok 15002 266: ok 15003 266: ok 15004 266: ok 15005 266: ok 15006 266: ok 15007 266: ok 15008 266: ok 15009 266: ok 15010 266: ok 15011 266: ok 15012 266: ok 15013 266: ok 15014 266: ok 15015 266: ok 15016 266: ok 15017 266: ok 15018 266: ok 15019 266: ok 15020 266: ok 15021 266: ok 15022 266: ok 15023 266: ok 15024 266: ok 15025 266: ok 15026 266: ok 15027 266: ok 15028 266: ok 15029 266: ok 15030 266: ok 15031 266: ok 15032 266: ok 15033 266: ok 15034 266: ok 15035 266: ok 15036 266: ok 15037 266: ok 15038 266: ok 15039 266: ok 15040 266: ok 15041 266: ok 15042 266: ok 15043 266: ok 15044 266: ok 15045 266: ok 15046 266: ok 15047 266: ok 15048 266: ok 15049 266: ok 15050 266: ok 15051 266: ok 15052 266: ok 15053 266: ok 15054 266: ok 15055 266: ok 15056 266: ok 15057 266: ok 15058 266: ok 15059 266: ok 15060 266: ok 15061 266: ok 15062 266: ok 15063 266: ok 15064 266: ok 15065 266: ok 15066 266: ok 15067 266: ok 15068 266: ok 15069 266: ok 15070 266: ok 15071 266: ok 15072 266: ok 15073 266: ok 15074 266: ok 15075 266: ok 15076 266: ok 15077 266: ok 15078 266: ok 15079 266: ok 15080 266: ok 15081 266: ok 15082 266: ok 15083 266: ok 15084 266: ok 15085 266: ok 15086 266: ok 15087 266: ok 15088 266: ok 15089 266: ok 15090 266: ok 15091 266: ok 15092 266: ok 15093 266: ok 15094 266: ok 15095 266: ok 15096 266: ok 15097 266: ok 15098 266: ok 15099 266: ok 15100 266: ok 15101 266: ok 15102 266: ok 15103 266: ok 15104 266: ok 15105 266: ok 15106 266: ok 15107 266: ok 15108 266: ok 15109 266: ok 15110 266: ok 15111 266: ok 15112 266: ok 15113 266: ok 15114 266: ok 15115 266: ok 15116 266: ok 15117 266: ok 15118 266: ok 15119 266: ok 15120 266: ok 15121 266: ok 15122 266: ok 15123 266: ok 15124 266: ok 15125 266: ok 15126 266: ok 15127 266: ok 15128 266: ok 15129 266: ok 15130 266: ok 15131 266: ok 15132 266: ok 15133 266: ok 15134 266: ok 15135 266: ok 15136 266: ok 15137 266: ok 15138 266: ok 15139 266: ok 15140 266: ok 15141 266: ok 15142 266: ok 15143 266: ok 15144 266: ok 15145 266: ok 15146 266: ok 15147 266: ok 15148 266: ok 15149 266: ok 15150 266: ok 15151 266: ok 15152 266: ok 15153 266: ok 15154 266: ok 15155 266: ok 15156 266: ok 15157 266: ok 15158 266: ok 15159 266: ok 15160 266: ok 15161 266: ok 15162 266: ok 15163 266: ok 15164 266: ok 15165 266: ok 15166 266: ok 15167 266: ok 15168 266: ok 15169 266: ok 15170 266: ok 15171 266: ok 15172 266: ok 15173 266: ok 15174 266: ok 15175 266: ok 15176 266: ok 15177 266: ok 15178 266: ok 15179 266: ok 15180 266: ok 15181 266: ok 15182 266: ok 15183 266: ok 15184 266: ok 15185 266: ok 15186 266: ok 15187 266: ok 15188 266: ok 15189 266: ok 15190 266: ok 15191 266: ok 15192 266: ok 15193 266: ok 15194 266: ok 15195 266: ok 15196 266: ok 15197 266: ok 15198 266: ok 15199 266: ok 15200 266: ok 15201 266: ok 15202 266: ok 15203 266: ok 15204 266: ok 15205 266: ok 15206 266: ok 15207 266: ok 15208 266: ok 15209 266: ok 15210 266: ok 15211 266: ok 15212 266: ok 15213 266: ok 15214 266: ok 15215 266: ok 15216 266: ok 15217 266: ok 15218 266: ok 15219 266: ok 15220 266: ok 15221 266: ok 15222 266: ok 15223 266: ok 15224 266: ok 15225 266: ok 15226 266: ok 15227 266: ok 15228 266: ok 15229 266: ok 15230 266: ok 15231 266: ok 15232 266: ok 15233 266: ok 15234 266: ok 15235 266: ok 15236 266: ok 15237 266: ok 15238 266: ok 15239 266: ok 15240 266: ok 15241 266: ok 15242 266: ok 15243 266: ok 15244 266: ok 15245 266: ok 15246 266: ok 15247 266: ok 15248 266: ok 15249 266: ok 15250 266: ok 15251 266: ok 15252 266: ok 15253 266: ok 15254 266: ok 15255 266: ok 15256 266: ok 15257 266: ok 15258 266: ok 15259 266: ok 15260 266: ok 15261 266: ok 15262 266: ok 15263 266: ok 15264 266: ok 15265 266: ok 15266 266: ok 15267 266: ok 15268 266: ok 15269 266: ok 15270 266: ok 15271 266: ok 15272 266: ok 15273 266: ok 15274 266: ok 15275 266: ok 15276 266: ok 15277 266: ok 15278 266: ok 15279 266: ok 15280 266: ok 15281 266: ok 15282 266: ok 15283 266: ok 15284 266: ok 15285 266: ok 15286 266: ok 15287 266: ok 15288 266: ok 15289 266: ok 15290 266: ok 15291 266: ok 15292 266: ok 15293 266: ok 15294 266: ok 15295 266: ok 15296 266: ok 15297 266: ok 15298 266: ok 15299 266: ok 15300 266: ok 15301 266: ok 15302 266: ok 15303 266: ok 15304 266: ok 15305 266: ok 15306 266: ok 15307 266: ok 15308 266: ok 15309 266: ok 15310 266: ok 15311 266: ok 15312 266: ok 15313 266: ok 15314 266: ok 15315 266: ok 15316 266: ok 15317 266: ok 15318 266: ok 15319 266: ok 15320 266: ok 15321 266: ok 15322 266: ok 15323 266: ok 15324 266: ok 15325 266: ok 15326 266: ok 15327 266: ok 15328 266: ok 15329 266: ok 15330 266: ok 15331 266: ok 15332 266: ok 15333 266: ok 15334 266: ok 15335 266: ok 15336 266: ok 15337 266: ok 15338 266: ok 15339 266: ok 15340 266: ok 15341 266: ok 15342 266: ok 15343 266: ok 15344 266: ok 15345 266: ok 15346 266: ok 15347 266: ok 15348 266: ok 15349 266: ok 15350 266: ok 15351 266: ok 15352 266: ok 15353 266: ok 15354 266: ok 15355 266: ok 15356 266: ok 15357 266: ok 15358 266: ok 15359 266: ok 15360 266: ok 15361 266: ok 15362 266: ok 15363 266: ok 15364 266: ok 15365 266: ok 15366 266: ok 15367 266: ok 15368 266: ok 15369 266: ok 15370 266: ok 15371 266: ok 15372 266: ok 15373 266: ok 15374 266: ok 15375 266: ok 15376 266: ok 15377 266: ok 15378 266: ok 15379 266: ok 15380 266: ok 15381 266: ok 15382 266: ok 15383 266: ok 15384 266: ok 15385 266: ok 15386 266: ok 15387 266: ok 15388 266: ok 15389 266: ok 15390 266: ok 15391 266: ok 15392 266: ok 15393 266: ok 15394 266: ok 15395 266: ok 15396 266: ok 15397 266: ok 15398 266: ok 15399 266: ok 15400 266: ok 15401 266: ok 15402 266: ok 15403 266: ok 15404 266: ok 15405 266: ok 15406 266: ok 15407 266: ok 15408 266: ok 15409 266: ok 15410 266: ok 15411 266: ok 15412 266: ok 15413 266: ok 15414 266: ok 15415 266: ok 15416 266: ok 15417 266: ok 15418 266: ok 15419 266: ok 15420 266: ok 15421 266: ok 15422 266: ok 15423 266: ok 15424 266: ok 15425 266: ok 15426 266: ok 15427 266: ok 15428 266: ok 15429 266: ok 15430 266: ok 15431 266: ok 15432 266: ok 15433 266: ok 15434 266: ok 15435 266: ok 15436 266: ok 15437 266: ok 15438 266: ok 15439 266: ok 15440 266: ok 15441 266: ok 15442 266: ok 15443 266: ok 15444 266: ok 15445 266: ok 15446 266: ok 15447 266: ok 15448 266: ok 15449 266: ok 15450 266: ok 15451 266: ok 15452 266: ok 15453 266: ok 15454 266: ok 15455 266: ok 15456 266: ok 15457 266: ok 15458 266: ok 15459 266: ok 15460 266: ok 15461 266: ok 15462 266: ok 15463 266: ok 15464 266: ok 15465 266: ok 15466 266: ok 15467 266: ok 15468 266: ok 15469 266: ok 15470 266: ok 15471 266: ok 15472 266: ok 15473 266: ok 15474 266: ok 15475 266: ok 15476 266: ok 15477 266: ok 15478 266: ok 15479 266: ok 15480 266: ok 15481 266: ok 15482 266: ok 15483 266: ok 15484 266: ok 15485 266: ok 15486 266: ok 15487 266: ok 15488 266: ok 15489 266: ok 15490 266: ok 15491 266: ok 15492 266: ok 15493 266: ok 15494 266: ok 15495 266: ok 15496 266: ok 15497 266: ok 15498 266: ok 15499 266: ok 15500 266: ok 15501 266: ok 15502 266: ok 15503 266: ok 15504 266: ok 15505 266: ok 15506 266: ok 15507 266: ok 15508 266: ok 15509 266: ok 15510 266: ok 15511 266: ok 15512 266: ok 15513 266: ok 15514 266: ok 15515 266: ok 15516 266: ok 15517 266: ok 15518 266: ok 15519 266: ok 15520 266: ok 15521 266: ok 15522 266: ok 15523 266: ok 15524 266: ok 15525 266: ok 15526 266: ok 15527 266: ok 15528 266: ok 15529 266: ok 15530 266: ok 15531 266: ok 15532 266: ok 15533 266: ok 15534 266: ok 15535 266: ok 15536 266: ok 15537 266: ok 15538 266: ok 15539 266: ok 15540 266: ok 15541 266: ok 15542 266: ok 15543 266: ok 15544 266: ok 15545 266: ok 15546 266: ok 15547 266: ok 15548 266: ok 15549 266: ok 15550 266: ok 15551 266: ok 15552 266: ok 15553 266: ok 15554 266: ok 15555 266: ok 15556 266: ok 15557 266: ok 15558 266: ok 15559 266: ok 15560 266: ok 15561 266: ok 15562 266: ok 15563 266: ok 15564 266: ok 15565 266: ok 15566 266: ok 15567 266: ok 15568 266: ok 15569 266: ok 15570 266: ok 15571 266: ok 15572 266: ok 15573 266: ok 15574 266: ok 15575 266: ok 15576 266: ok 15577 266: ok 15578 266: ok 15579 266: ok 15580 266: ok 15581 266: ok 15582 266: ok 15583 266: ok 15584 266: ok 15585 266: ok 15586 266: ok 15587 266: ok 15588 266: ok 15589 266: ok 15590 266: ok 15591 266: ok 15592 266: ok 15593 266: ok 15594 266: ok 15595 266: ok 15596 266: ok 15597 266: ok 15598 266: ok 15599 266: ok 15600 266: ok 15601 266: ok 15602 266: ok 15603 266: ok 15604 266: ok 15605 266: ok 15606 266: ok 15607 266: ok 15608 266: ok 15609 266: ok 15610 266: ok 15611 266: ok 15612 266: ok 15613 266: ok 15614 266: ok 15615 266: ok 15616 266: ok 15617 266: ok 15618 266: ok 15619 266: ok 15620 266: ok 15621 266: ok 15622 266: ok 15623 266: ok 15624 266: ok 15625 266: ok 15626 266: ok 15627 266: ok 15628 266: ok 15629 266: ok 15630 266: ok 15631 266: ok 15632 266: ok 15633 266: ok 15634 266: ok 15635 266: ok 15636 266: ok 15637 266: ok 15638 266: ok 15639 266: ok 15640 266: ok 15641 266: ok 15642 266: ok 15643 266: ok 15644 266: ok 15645 266: ok 15646 266: ok 15647 266: ok 15648 266: ok 15649 266: ok 15650 266: ok 15651 266: ok 15652 266: ok 15653 266: ok 15654 266: ok 15655 266: ok 15656 266: ok 15657 266: ok 15658 266: ok 15659 266: ok 15660 266: ok 15661 266: ok 15662 266: ok 15663 266: ok 15664 266: ok 15665 266: ok 15666 266: ok 15667 266: ok 15668 266: ok 15669 266: ok 15670 266: ok 15671 266: ok 15672 266: ok 15673 266: ok 15674 266: ok 15675 266: ok 15676 266: ok 15677 266: ok 15678 266: ok 15679 266: ok 15680 266: ok 15681 266: ok 15682 266: ok 15683 266: ok 15684 266: ok 15685 266: ok 15686 266: ok 15687 266: ok 15688 266: ok 15689 266: ok 15690 266: ok 15691 266: ok 15692 266: ok 15693 266: ok 15694 266: ok 15695 266: ok 15696 266: ok 15697 266: ok 15698 266: ok 15699 266: ok 15700 266: ok 15701 266: ok 15702 266: ok 15703 266: ok 15704 266: ok 15705 266: ok 15706 266: ok 15707 266: ok 15708 266: ok 15709 266: ok 15710 266: ok 15711 266: ok 15712 266: ok 15713 266: ok 15714 266: ok 15715 266: ok 15716 266: ok 15717 266: ok 15718 266: ok 15719 266: ok 15720 266: ok 15721 266: ok 15722 266: ok 15723 266: ok 15724 266: ok 15725 266: ok 15726 266: ok 15727 266: ok 15728 266: ok 15729 266: ok 15730 266: ok 15731 266: ok 15732 266: ok 15733 266: ok 15734 266: ok 15735 266: ok 15736 266: ok 15737 266: ok 15738 266: ok 15739 266: ok 15740 266: ok 15741 266: ok 15742 266: ok 15743 266: ok 15744 266: ok 15745 266: ok 15746 266: ok 15747 266: ok 15748 266: ok 15749 266: ok 15750 266: ok 15751 266: ok 15752 266: ok 15753 266: ok 15754 266: ok 15755 266: ok 15756 266: ok 15757 266: ok 15758 266: ok 15759 266: ok 15760 266: ok 15761 266: ok 15762 266: ok 15763 266: ok 15764 266: ok 15765 266: ok 15766 266: ok 15767 266: ok 15768 266: ok 15769 266: ok 15770 266: ok 15771 266: ok 15772 266: ok 15773 266: ok 15774 266: ok 15775 266: ok 15776 266: ok 15777 266: ok 15778 266: ok 15779 266: ok 15780 266: ok 15781 266: ok 15782 266: ok 15783 266: ok 15784 266: ok 15785 266: ok 15786 266: ok 15787 266: ok 15788 266: ok 15789 266: ok 15790 266: ok 15791 266: ok 15792 266: ok 15793 266: ok 15794 266: ok 15795 266: ok 15796 266: ok 15797 266: ok 15798 266: ok 15799 266: ok 15800 266: ok 15801 266: ok 15802 266: ok 15803 266: ok 15804 266: ok 15805 266: ok 15806 266: ok 15807 266: ok 15808 266: ok 15809 266: ok 15810 266: ok 15811 266: ok 15812 266: ok 15813 266: ok 15814 266: ok 15815 266: ok 15816 266: ok 15817 266: ok 15818 266: ok 15819 266: ok 15820 266: ok 15821 266: ok 15822 266: ok 15823 266: ok 15824 266: ok 15825 266: ok 15826 266: ok 15827 266: ok 15828 266: ok 15829 266: ok 15830 266: ok 15831 266: ok 15832 266: ok 15833 266: ok 15834 266: ok 15835 266: ok 15836 266: ok 15837 266: ok 15838 266: ok 15839 266: ok 15840 266: ok 15841 266: ok 15842 266: ok 15843 266: ok 15844 266: ok 15845 266: ok 15846 266: ok 15847 266: ok 15848 266: ok 15849 266: ok 15850 266: ok 15851 266: ok 15852 266: ok 15853 266: ok 15854 266: ok 15855 266: ok 15856 266: ok 15857 266: ok 15858 266: ok 15859 266: ok 15860 266: ok 15861 266: ok 15862 266: ok 15863 266: ok 15864 266: ok 15865 266: ok 15866 266: ok 15867 266: ok 15868 266: ok 15869 266: ok 15870 266: ok 15871 266: ok 15872 266: ok 15873 266: ok 15874 266: ok 15875 266: ok 15876 266: ok 15877 266: ok 15878 266: ok 15879 266: ok 15880 266: ok 15881 266: ok 15882 266: ok 15883 266: ok 15884 266: ok 15885 266: ok 15886 266: ok 15887 266: ok 15888 266: ok 15889 266: ok 15890 266: ok 15891 266: ok 15892 266: ok 15893 266: ok 15894 266: ok 15895 266: ok 15896 266: ok 15897 266: ok 15898 266: ok 15899 266: ok 15900 266: ok 15901 266: ok 15902 266: ok 15903 266: ok 15904 266: ok 15905 266: ok 15906 266: ok 15907 266: ok 15908 266: ok 15909 266: ok 15910 266: ok 15911 266: ok 15912 266: ok 15913 266: ok 15914 266: ok 15915 266: ok 15916 266: ok 15917 266: ok 15918 266: ok 15919 266: ok 15920 266: ok 15921 266: ok 15922 266: ok 15923 266: ok 15924 266: ok 15925 266: ok 15926 266: ok 15927 266: ok 15928 266: ok 15929 266: ok 15930 266: ok 15931 266: ok 15932 266: ok 15933 266: ok 15934 266: ok 15935 266: ok 15936 266: ok 15937 266: ok 15938 266: ok 15939 266: ok 15940 266: ok 15941 266: ok 15942 266: ok 15943 266: ok 15944 266: ok 15945 266: ok 15946 266: ok 15947 266: ok 15948 266: ok 15949 266: ok 15950 266: ok 15951 266: ok 15952 266: ok 15953 266: ok 15954 266: ok 15955 266: ok 15956 266: ok 15957 266: ok 15958 266: ok 15959 266: ok 15960 266: ok 15961 266: ok 15962 266: ok 15963 266: ok 15964 266: ok 15965 266: ok 15966 266: ok 15967 266: ok 15968 266: ok 15969 266: ok 15970 266: ok 15971 266: ok 15972 266: ok 15973 266: ok 15974 266: ok 15975 266: ok 15976 266: ok 15977 266: ok 15978 266: ok 15979 266: ok 15980 266: ok 15981 266: ok 15982 266: ok 15983 266: ok 15984 266: ok 15985 266: ok 15986 266: ok 15987 266: ok 15988 266: ok 15989 266: ok 15990 266: ok 15991 266: ok 15992 266: ok 15993 266: ok 15994 266: ok 15995 266: ok 15996 266: ok 15997 266: ok 15998 266: ok 15999 266: ok 16000 266: # math: passed testEigenvectors 266: 1..16000 266: # math: all tests are successful 261/333 Test #266: origtest_math_4 ..................................................................................... Passed 0.30 sec test 267 Start 267: origtest_mol_1 267: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "mol" "1" 267: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 267: Environment variables: 267: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 267: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 267: Test timeout computed to be: 1500 267: # Unit tests for OBMol 267: ok 1 267: ok 2 267: ok 3 267: ok 4 267: ok 5 267: ok 6 267: ok 7 267: ok 8 267: ok 9 267: ok 10 267: ok 11 267: ok 12 267: ok 13 267: ============================== 267: *** Open Babel Warning in GetSpacedFormula 267: Skipping unknown element with atomic number 200 267: ok 14 267: ok 15 6.245e-15 267: 1..15 262/333 Test #267: origtest_mol_1 ...................................................................................... Passed 0.07 sec test 268 Start 268: origtest_pdbreadfile_1 268: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "pdbreadfile" "1" 268: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 268: Environment variables: 268: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 268: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 268: Test timeout computed to be: 1500 268: # Unit tests for OBMol 268: ok 1 268: ok 2! 268: ok 3! 268: ok 4! 268: ok 5! 268: ok 6! 268: ok 7! 268: ok 8! 268: 1..6 263/333 Test #268: origtest_pdbreadfile_1 .............................................................................. Passed 0.04 sec test 269 Start 269: origtest_pdbreadfile_2 269: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "pdbreadfile" "2" 269: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 269: Environment variables: 269: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 269: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 269: Test timeout computed to be: 1500 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 1) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 2) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 3) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 4) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 5) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 6) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 7) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 8) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 9) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 10) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 11) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 12) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 13) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 14) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 15) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 16) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 17) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 18) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 19) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 20) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 21) 269: ============================== 269: *** Open Babel Warning in parseAtomRecord 269: WARNING: Problems reading a PDB file 269: Problems reading a HETATM or ATOM record. 269: According to the PDB specification, 269: columns 77-78 should contain the element symbol of an atom. 269: but OpenBabel found ' ' (atom 22) 269: # Unit tests for OBMol 269: ok 1 269: ok 2! 269: ok 3! 269: ok 4! 269: ok 5! 269: ok 6! 269: ok 7! 269: ok 8! 269: 1..6 264/333 Test #269: origtest_pdbreadfile_2 .............................................................................. Passed 0.04 sec test 270 Start 270: origtest_pdbreadfile_3 270: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "pdbreadfile" "3" 270: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 270: Environment variables: 270: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 270: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 270: Test timeout computed to be: 1500 270: # Unit tests for OBMol 270: ok 1 270: ok 2! 270: ok 3! 270: ok 4! 270: ok 5! 270: ok 6! 270: ok 7! 270: ok 8! 270: 1..6 265/333 Test #270: origtest_pdbreadfile_3 .............................................................................. Passed 0.05 sec test 271 Start 271: origtest_pdbreadfile_4 271: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "pdbreadfile" "4" 271: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 271: Environment variables: 271: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 271: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 271: Test timeout computed to be: 1500 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 1) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 2) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 3) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 4) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 5) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 6) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 7) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 8) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 9) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 10) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 11) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 12) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 13) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 14) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 15) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 16) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 17) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 18) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 19) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 20) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 21) 271: ============================== 271: *** Open Babel Warning in parseAtomRecord 271: WARNING: Problems reading a PDB file 271: Problems reading a HETATM or ATOM record. 271: According to the PDB specification, 271: columns 77-78 should contain the element symbol of an atom. 271: but OpenBabel found ' ' (atom 22) 271: # Unit tests for OBMol 271: ok 1 271: ok 2! 271: ok 3! 271: ok 4! 271: ok 5! 271: ok 6! 271: ok 7! 271: ok 8! 271: 1..6 266/333 Test #271: origtest_pdbreadfile_4 .............................................................................. Passed 0.03 sec test 272 Start 272: origtest_phmodel_1 272: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "phmodel" "1" 272: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 272: Environment variables: 272: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 272: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 272: Test timeout computed to be: 1500 272: # Asp 272: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O 272: ok 1 272: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O 272: ok 2 272: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-] 272: ok 3 272: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-] 272: ok 4 272: # Glu 272: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O 272: ok 5 272: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-] 272: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-] 272: ok 6 272: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-] 272: ok 7 272: # His 272: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O 272: ok 8 272: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-] 272: ok 9 272: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-] 272: ok 10 272: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-] 272: ok 11 272: # Lys 272: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O 272: ok 12 272: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-] 272: ok 13 272: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-] 272: #pH = 13.0 : NC(CCCCN)C(=O)[O-] 272: ok 14 272: # Tyr 272: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O 272: ok 15 272: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-] 272: ok 16 272: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-] 272: ok 17 272: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-] 272: ok 18 272: # Arg 272: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O 272: ok 19 272: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-] 272: ok 20 272: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-] 272: ok 21 272: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-] 272: ok 22 272: # Gly-Gly 272: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O 272: ok 23 272: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-] 272: ok 24 272: #pH = 13.0 : NCC(=O)NCC(=O)[O-] 272: ok 25 272: 1..25 267/333 Test #272: origtest_phmodel_1 .................................................................................. Passed 0.04 sec test 273 Start 273: origtest_residue_1 273: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "residue" "1" 273: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 273: Environment variables: 273: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 273: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 273: Test timeout computed to be: 1500 273: # Unit tests for OBResidue 273: ok 1 273: ok 2 273: ok 3 273: ok 4 # ALA 273: ok 5 # ARG 273: ok 6 # ASN 273: ok 7 # ASP 273: ok 8 # CYS 273: ok 9 # GLU 273: ok 10 # GLN 273: ok 11 # GLY 273: ok 12 # HIS 273: ok 13 # ILE 273: ok 14 # LEU 273: ok 15 # LYS 273: ok 16 # MET 273: ok 17 # PHE 273: ok 18 # PRO 273: ok 19 # SER 273: ok 20 # THR 273: ok 21 # TRP 273: ok 22 # TYR 273: ok 23 # VAL 273: ok 24 # A 273: ok 25 # C 273: ok 26 # G 273: ok 27 # T 273: ok 28 # U 273: ============================== 273: *** Open Babel Warning in ParseSmiles 273: Failed to kekulize aromatic SMILES 273: 273: ok 29 # found ligand, not residue c1ccccc1 273: ok 30 # found ligand, not residue c1cccn[H]1 273: ok 31 # found ligand, not residue CC(=O)CCN 273: ok 32 # ALA VAL 273: ok 33 # CYS LEU 273: ok 34 # 4 273: ok 35 # 2 273: 1..35 268/333 Test #273: origtest_residue_1 .................................................................................. Passed 0.03 sec test 274 Start 274: origtest_ringtest_1 274: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "ringtest" "1" 274: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 274: Environment variables: 274: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 274: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 274: Test timeout computed to be: 1500 274: # Testing ring perception... 274: ok 1 # correct ring bond data 274: ok 2 # correct ring bond data 274: ok 3 # correct ring bond data 274: ok 4 # correct ring bond data 274: ok 5 # correct ring bond data 274: ok 6 # correct ring bond data 274: ok 7 # correct ring bond data 274: ok 8 # correct ring bond data 274: ok 9 # correct ring bond data 274: ok 10 # correct ring bond data 274: ok 11 # correct ring bond data 274: ok 12 # correct ring bond data 274: ok 13 # correct ring bond data 274: ok 14 # correct ring bond data 274: ok 15 # correct ring bond data 274: ok 16 # correct ring bond data 274: ok 17 # correct ring bond data 274: ok 18 # correct ring bond data 274: ok 19 # correct ring bond data 274: ok 20 # correct ring bond data 274: ok 21 # correct ring bond data 274: ok 22 # correct ring bond data 274: ok 23 # correct ring bond data 274: ok 24 # correct ring bond data 274: ok 25 # correct ring bond data 274: ok 26 # correct ring bond data 274: ok 27 # correct ring bond data 274: ok 28 # correct ring bond data 274: ok 29 # correct ring bond data 274: ok 30 # correct ring bond data 274: ok 31 # correct ring bond data 274: ok 32 # correct ring bond data 274: ok 33 # correct ring bond data 274: ok 34 # correct ring bond data 274: ok 35 # correct ring bond data 274: ok 36 # correct ring bond data 274: ok 37 # correct ring bond data 274: ok 38 # correct ring bond data 274: ok 39 # correct ring bond data 274: ok 40 # correct ring bond data 274: ok 41 # correct ring bond data 274: ok 42 # correct ring bond data 274: ok 43 # correct ring bond data 274: ok 44 # correct ring bond data 274: ok 45 # correct ring bond data 274: ok 46 # correct ring bond data 274: ok 47 # correct ring bond data 274: ok 48 # correct ring bond data 274: ok 49 # SSSR size matches reference 274: ok 50 # correct SSSR count 274: ok 51 # ring membership passed 274: ok 52 # correct SSSR count 274: ok 53 # ring membership passed 274: ok 54 # correct SSSR count 274: ok 55 # ring membership passed 274: ok 56 # correct SSSR count 274: ok 57 # ring membership passed 274: ok 58 # correct SSSR count 274: ok 59 # ring membership passed 274: ok 60 # correct SSSR count 274: ok 61 # ring membership passed 274: ok 62 # correct SSSR count 274: ok 63 # ring membership passed 274: ok 64 # correct SSSR count 274: ok 65 # ring membership passed 274: ok 66 # correct SSSR count 274: ok 67 # ring membership passed 274: ok 68 # correct SSSR count 274: ok 69 # ring membership passed 274: ok 70 # correct SSSR count 274: ok 71 # ring membership passed 274: ok 72 # correct SSSR count 274: ok 73 # ring membership passed 274: ok 74 # correct SSSR count 274: ok 75 # ring membership passed 274: ok 76 # correct SSSR count 274: ok 77 # ring membership passed 274: ok 78 # correct SSSR count 274: ok 79 # ring membership passed 274: ok 80 # correct SSSR count 274: ok 81 # ring membership passed 274: ok 82 # correct SSSR count 274: ok 83 # ring membership passed 274: ok 84 # correct SSSR count 274: ok 85 # ring membership passed 274: ok 86 # correct SSSR count 274: ok 87 # ring membership passed 274: ok 88 # correct SSSR count 274: ok 89 # ring membership passed 274: ok 90 # correct SSSR count 274: ok 91 # ring membership passed 274: ok 92 # correct SSSR count 274: ok 93 # ring membership passed 274: ok 94 # correct SSSR count 274: ok 95 # ring membership passed 274: ok 96 # correct SSSR count 274: ok 97 # ring membership passed 274: ok 98 # correct SSSR count 274: ok 99 # ring membership passed 274: ok 100 # correct SSSR count 274: ok 101 # ring membership passed 274: ok 102 # correct SSSR count 274: ok 103 # ring membership passed 274: ok 104 # correct SSSR count 274: ok 105 # ring membership passed 274: ok 106 # correct SSSR count 274: ok 107 # ring membership passed 274: ok 108 # correct SSSR count 274: ok 109 # ring membership passed 274: ok 110 # correct SSSR count 274: ok 111 # ring membership passed 274: ok 112 # correct SSSR count 274: ok 113 # ring membership passed 274: ok 114 # correct SSSR count 274: ok 115 # ring membership passed 274: ok 116 # correct SSSR count 274: ok 117 # ring membership passed 274: ok 118 # correct SSSR count 274: ok 119 # ring membership passed 274: ok 120 # correct SSSR count 274: ok 121 # ring membership passed 274: ok 122 # correct SSSR count 274: ok 123 # ring membership passed 274: ok 124 # correct SSSR count 274: ok 125 # ring membership passed 274: ok 126 # correct SSSR count 274: ok 127 # ring membership passed 274: ok 128 # correct ring bond data 274: ok 129 # correct ring bond data 274: ok 130 # correct ring bond data 274: ok 131 # correct ring bond data 274: ok 132 # correct ring bond data 274: ok 133 # correct ring bond data 274: ok 134 # correct ring bond data 274: ok 135 # correct ring bond data 274: ok 136 # correct ring bond data 274: ok 137 # correct ring bond data 274: ok 138 # correct ring bond data 274: ok 139 # correct ring bond data 274: ok 140 # correct ring bond data 274: ok 141 # correct ring bond data 274: ok 142 # correct ring bond data 274: ok 143 # correct ring bond data 274: ok 144 # correct ring bond data 274: ok 145 # correct ring bond data 274: ok 146 # SSSR size matches reference 274: ok 147 # correct SSSR count 274: ok 148 # ring membership passed 274: ok 149 # correct SSSR count 274: ok 150 # ring membership passed 274: ok 151 # correct SSSR count 274: ok 152 # ring membership passed 274: ok 153 # correct SSSR count 274: ok 154 # ring membership passed 274: ok 155 # correct SSSR count 274: ok 156 # ring membership passed 274: ok 157 # correct SSSR count 274: ok 158 # ring membership passed 274: ok 159 # correct SSSR count 274: ok 160 # ring membership passed 274: ok 161 # correct SSSR count 274: ok 162 # ring membership passed 274: ok 163 # correct SSSR count 274: ok 164 # ring membership passed 274: ok 165 # correct SSSR count 274: ok 166 # ring membership passed 274: ok 167 # correct SSSR count 274: ok 168 # ring membership passed 274: ok 169 # correct SSSR count 274: ok 170 # ring membership passed 274: ok 171 # correct SSSR count 274: ok 172 # ring membership passed 274: ok 173 # correct SSSR count 274: ok 174 # ring membership passed 274: ok 175 # correct ring bond data 274: ok 176 # correct ring bond data 274: ok 177 # correct ring bond data 274: ok 178 # correct ring bond data 274: ok 179 # correct ring bond data 274: ok 180 # correct ring bond data 274: ok 181 # correct ring bond data 274: ok 182 # correct ring bond data 274: ok 183 # correct ring bond data 274: ok 184 # correct ring bond data 274: ok 185 # correct ring bond data 274: ok 186 # correct ring bond data 274: ok 187 # correct ring bond data 274: ok 188 # SSSR size matches reference 274: ok 189 # correct SSSR count 274: ok 190 # ring membership passed 274: ok 191 # correct SSSR count 274: ok 192 # ring membership passed 274: ok 193 # correct SSSR count 274: ok 194 # ring membership passed 274: ok 195 # correct SSSR count 274: ok 196 # ring membership passed 274: ok 197 # correct SSSR count 274: ok 198 # ring membership passed 274: ok 199 # correct SSSR count 274: ok 200 # ring membership passed 274: ok 201 # correct SSSR count 274: ok 202 # ring membership passed 274: ok 203 # correct SSSR count 274: ok 204 # ring membership passed 274: ok 205 # correct SSSR count 274: ok 206 # ring membership passed 274: ok 207 # correct SSSR count 274: ok 208 # ring membership passed 274: ok 209 # correct SSSR count 274: ok 210 # ring membership passed 274: ok 211 # correct SSSR count 274: ok 212 # ring membership passed 274: ok 213 # correct ring bond data 274: ok 214 # correct ring bond data 274: ok 215 # correct ring bond data 274: ok 216 # correct ring bond data 274: ok 217 # correct ring bond data 274: ok 218 # correct ring bond data 274: ok 219 # correct ring bond data 274: ok 220 # correct ring bond data 274: ok 221 # correct ring bond data 274: ok 222 # correct ring bond data 274: ok 223 # correct ring bond data 274: ok 224 # correct ring bond data 274: ok 225 # correct ring bond data 274: ok 226 # correct ring bond data 274: ok 227 # correct ring bond data 274: ok 228 # SSSR size matches reference 274: ok 229 # correct SSSR count 274: ok 230 # ring membership passed 274: ok 231 # correct SSSR count 274: ok 232 # ring membership passed 274: ok 233 # correct SSSR count 274: ok 234 # ring membership passed 274: ok 235 # correct SSSR count 274: ok 236 # ring membership passed 274: ok 237 # correct SSSR count 274: ok 238 # ring membership passed 274: ok 239 # correct SSSR count 274: ok 240 # ring membership passed 274: ok 241 # correct SSSR count 274: ok 242 # ring membership passed 274: ok 243 # correct SSSR count 274: ok 244 # ring membership passed 274: ok 245 # correct SSSR count 274: ok 246 # ring membership passed 274: ok 247 # correct SSSR count 274: ok 248 # ring membership passed 274: ok 249 # correct SSSR count 274: ok 250 # ring membership passed 274: ok 251 # correct SSSR count 274: ok 252 # ring membership passed 274: ok 253 # correct SSSR count 274: ok 254 # ring membership passed 274: ok 255 # correct SSSR count 274: ok 256 # ring membership passed 274: ok 257 # correct ring bond data 274: ok 258 # correct ring bond data 274: ok 259 # correct ring bond data 274: ok 260 # correct ring bond data 274: ok 261 # correct ring bond data 274: ok 262 # correct ring bond data 274: ok 263 # correct ring bond data 274: ok 264 # correct ring bond data 274: ok 265 # correct ring bond data 274: ok 266 # correct ring bond data 274: ok 267 # SSSR size matches reference 274: ok 268 # correct SSSR count 274: ok 269 # ring membership passed 274: ok 270 # correct SSSR count 274: ok 271 # ring membership passed 274: ok 272 # correct SSSR count 274: ok 273 # ring membership passed 274: ok 274 # correct SSSR count 274: ok 275 # ring membership passed 274: ok 276 # correct SSSR count 274: ok 277 # ring membership passed 274: ok 278 # correct SSSR count 274: ok 279 # ring membership passed 274: ok 280 # correct SSSR count 274: ok 281 # ring membership passed 274: ok 282 # correct SSSR count 274: ok 283 # ring membership passed 274: ok 284 # correct SSSR count 274: ok 285 # ring membership passed 274: ok 286 # correct SSSR count 274: ok 287 # ring membership passed 274: ok 288 # correct ring bond data 274: ok 289 # correct ring bond data 274: ok 290 # correct ring bond data 274: ok 291 # correct ring bond data 274: ok 292 # correct ring bond data 274: ok 293 # correct ring bond data 274: ok 294 # correct ring bond data 274: ok 295 # correct ring bond data 274: ok 296 # correct ring bond data 274: ok 297 # correct ring bond data 274: ok 298 # correct ring bond data 274: ok 299 # correct ring bond data 274: ok 300 # correct ring bond data 274: ok 301 # correct ring bond data 274: ok 302 # correct ring bond data 274: ok 303 # correct ring bond data 274: ok 304 # correct ring bond data 274: ok 305 # correct ring bond data 274: ok 306 # correct ring bond data 274: ok 307 # correct ring bond data 274: ok 308 # correct ring bond data 274: ok 309 # correct ring bond data 274: ok 310 # correct ring bond data 274: ok 311 # correct ring bond data 274: ok 312 # SSSR size matches reference 274: ok 313 # correct SSSR count 274: ok 314 # ring membership passed 274: ok 315 # correct SSSR count 274: ok 316 # ring membership passed 274: ok 317 # correct SSSR count 274: ok 318 # ring membership passed 274: ok 319 # correct SSSR count 274: ok 320 # ring membership passed 274: ok 321 # correct SSSR count 274: ok 322 # ring membership passed 274: ok 323 # correct SSSR count 274: ok 324 # ring membership passed 274: ok 325 # correct SSSR count 274: ok 326 # ring membership passed 274: ok 327 # correct SSSR count 274: ok 328 # ring membership passed 274: ok 329 # correct SSSR count 274: ok 330 # ring membership passed 274: ok 331 # correct SSSR count 274: ok 332 # ring membership passed 274: ok 333 # correct SSSR count 274: ok 334 # ring membership passed 274: ok 335 # correct SSSR count 274: ok 336 # ring membership passed 274: ok 337 # correct SSSR count 274: ok 338 # ring membership passed 274: ok 339 # correct SSSR count 274: ok 340 # ring membership passed 274: ok 341 # correct SSSR count 274: ok 342 # ring membership passed 274: ok 343 # correct SSSR count 274: ok 344 # ring membership passed 274: ok 345 # correct SSSR count 274: ok 346 # ring membership passed 274: ok 347 # correct SSSR count 274: ok 348 # ring membership passed 274: ok 349 # correct SSSR count 274: ok 350 # ring membership passed 274: ok 351 # correct SSSR count 274: ok 352 # ring membership passed 274: ok 353 # correct SSSR count 274: ok 354 # ring membership passed 274: ok 355 # correct SSSR count 274: ok 356 # ring membership passed 274: ok 357 # correct ring bond data 274: ok 358 # correct ring bond data 274: ok 359 # correct ring bond data 274: ok 360 # correct ring bond data 274: ok 361 # correct ring bond data 274: ok 362 # correct ring bond data 274: ok 363 # correct ring bond data 274: ok 364 # correct ring bond data 274: ok 365 # correct ring bond data 274: ok 366 # correct ring bond data 274: ok 367 # correct ring bond data 274: ok 368 # correct ring bond data 274: ok 369 # correct ring bond data 274: ok 370 # correct ring bond data 274: ok 371 # correct ring bond data 274: ok 372 # correct ring bond data 274: ok 373 # correct ring bond data 274: ok 374 # correct ring bond data 274: ok 375 # correct ring bond data 274: ok 376 # correct ring bond data 274: ok 377 # correct ring bond data 274: ok 378 # correct ring bond data 274: ok 379 # correct ring bond data 274: ok 380 # correct ring bond data 274: ok 381 # SSSR size matches reference 274: ok 382 # correct SSSR count 274: ok 383 # ring membership passed 274: ok 384 # correct SSSR count 274: ok 385 # ring membership passed 274: ok 386 # correct SSSR count 274: ok 387 # ring membership passed 274: ok 388 # correct SSSR count 274: ok 389 # ring membership passed 274: ok 390 # correct SSSR count 274: ok 391 # ring membership passed 274: ok 392 # correct SSSR count 274: ok 393 # ring membership passed 274: ok 394 # correct SSSR count 274: ok 395 # ring membership passed 274: ok 396 # correct SSSR count 274: ok 397 # ring membership passed 274: ok 398 # correct SSSR count 274: ok 399 # ring membership passed 274: ok 400 # correct SSSR count 274: ok 401 # ring membership passed 274: ok 402 # correct SSSR count 274: ok 403 # ring membership passed 274: ok 404 # correct SSSR count 274: ok 405 # ring membership passed 274: ok 406 # correct SSSR count 274: ok 407 # ring membership passed 274: ok 408 # correct SSSR count 274: ok 409 # ring membership passed 274: ok 410 # correct SSSR count 274: ok 411 # ring membership passed 274: ok 412 # correct SSSR count 274: ok 413 # ring membership passed 274: ok 414 # correct SSSR count 274: ok 415 # ring membership passed 274: ok 416 # correct SSSR count 274: ok 417 # ring membership passed 274: ok 418 # correct SSSR count 274: ok 419 # ring membership passed 274: ok 420 # correct SSSR count 274: ok 421 # ring membership passed 274: ok 422 # correct SSSR count 274: ok 423 # ring membership passed 274: ok 424 # correct SSSR count 274: ok 425 # ring membership passed 274: ok 426 # correct ring bond data 274: ok 427 # correct ring bond data 274: ok 428 # correct ring bond data 274: ok 429 # correct ring bond data 274: ok 430 # correct ring bond data 274: ok 431 # correct ring bond data 274: ok 432 # correct ring bond data 274: ok 433 # correct ring bond data 274: ok 434 # correct ring bond data 274: ok 435 # correct ring bond data 274: ok 436 # correct ring bond data 274: ok 437 # correct ring bond data 274: ok 438 # correct ring bond data 274: ok 439 # correct ring bond data 274: ok 440 # correct ring bond data 274: ok 441 # correct ring bond data 274: ok 442 # correct ring bond data 274: ok 443 # correct ring bond data 274: ok 444 # correct ring bond data 274: ok 445 # correct ring bond data 274: ok 446 # correct ring bond data 274: ok 447 # correct ring bond data 274: ok 448 # correct ring bond data 274: ok 449 # correct ring bond data 274: ok 450 # correct ring bond data 274: ok 451 # SSSR size matches reference 274: ok 452 # correct SSSR count 274: ok 453 # ring membership passed 274: ok 454 # correct SSSR count 274: ok 455 # ring membership passed 274: ok 456 # correct SSSR count 274: ok 457 # ring membership passed 274: ok 458 # correct SSSR count 274: ok 459 # ring membership passed 274: ok 460 # correct SSSR count 274: ok 461 # ring membership passed 274: ok 462 # correct SSSR count 274: ok 463 # ring membership passed 274: ok 464 # correct SSSR count 274: ok 465 # ring membership passed 274: ok 466 # correct SSSR count 274: ok 467 # ring membership passed 274: ok 468 # correct SSSR count 274: ok 469 # ring membership passed 274: ok 470 # correct SSSR count 274: ok 471 # ring membership passed 274: ok 472 # correct SSSR count 274: ok 473 # ring membership passed 274: ok 474 # correct SSSR count 274: ok 475 # ring membership passed 274: ok 476 # correct SSSR count 274: ok 477 # ring membership passed 274: ok 478 # correct SSSR count 274: ok 479 # ring membership passed 274: ok 480 # correct SSSR count 274: ok 481 # ring membership passed 274: ok 482 # correct SSSR count 274: ok 483 # ring membership passed 274: ok 484 # correct SSSR count 274: ok 485 # ring membership passed 274: ok 486 # correct SSSR count 274: ok 487 # ring membership passed 274: ok 488 # correct SSSR count 274: ok 489 # ring membership passed 274: ok 490 # correct SSSR count 274: ok 491 # ring membership passed 274: ok 492 # correct SSSR count 274: ok 493 # ring membership passed 274: ok 494 # correct SSSR count 274: ok 495 # ring membership passed 274: ok 496 # correct SSSR count 274: ok 497 # ring membership passed 274: ok 498 # correct ring bond data 274: ok 499 # correct ring bond data 274: ok 500 # correct ring bond data 274: ok 501 # correct ring bond data 274: ok 502 # correct ring bond data 274: ok 503 # correct ring bond data 274: ok 504 # correct ring bond data 274: ok 505 # SSSR size matches reference 274: ok 506 # correct SSSR count 274: ok 507 # ring membership passed 274: ok 508 # correct SSSR count 274: ok 509 # ring membership passed 274: ok 510 # correct SSSR count 274: ok 511 # ring membership passed 274: ok 512 # correct SSSR count 274: ok 513 # ring membership passed 274: ok 514 # correct SSSR count 274: ok 515 # ring membership passed 274: ok 516 # correct SSSR count 274: ok 517 # ring membership passed 274: ok 518 # correct SSSR count 274: ok 519 # ring membership passed 274: ok 520 # correct SSSR count 274: ok 521 # ring membership passed 274: ok 522 # correct ring bond data 274: ok 523 # correct ring bond data 274: ok 524 # correct ring bond data 274: ok 525 # correct ring bond data 274: ok 526 # correct ring bond data 274: ok 527 # correct ring bond data 274: ok 528 # correct ring bond data 274: ok 529 # correct ring bond data 274: ok 530 # correct ring bond data 274: ok 531 # correct ring bond data 274: ok 532 # correct ring bond data 274: ok 533 # correct ring bond data 274: ok 534 # correct ring bond data 274: ok 535 # correct ring bond data 274: ok 536 # correct ring bond data 274: ok 537 # correct ring bond data 274: ok 538 # correct ring bond data 274: ok 539 # correct ring bond data 274: ok 540 # correct ring bond data 274: ok 541 # correct ring bond data 274: ok 542 # correct ring bond data 274: ok 543 # correct ring bond data 274: ok 544 # correct ring bond data 274: ok 545 # SSSR size matches reference 274: ok 546 # correct SSSR count 274: ok 547 # ring membership passed 274: ok 548 # correct SSSR count 274: ok 549 # ring membership passed 274: ok 550 # correct SSSR count 274: ok 551 # ring membership passed 274: ok 552 # correct SSSR count 274: ok 553 # ring membership passed 274: ok 554 # correct SSSR count 274: ok 555 # ring membership passed 274: ok 556 # correct SSSR count 274: ok 557 # ring membership passed 274: ok 558 # correct SSSR count 274: ok 559 # ring membership passed 274: ok 560 # correct SSSR count 274: ok 561 # ring membership passed 274: ok 562 # correct SSSR count 274: ok 563 # ring membership passed 274: ok 564 # correct SSSR count 274: ok 565 # ring membership passed 274: ok 566 # correct SSSR count 274: ok 567 # ring membership passed 274: ok 568 # correct SSSR count 274: ok 569 # ring membership passed 274: ok 570 # correct SSSR count 274: ok 571 # ring membership passed 274: ok 572 # correct SSSR count 274: ok 573 # ring membership passed 274: ok 574 # correct SSSR count 274: ok 575 # ring membership passed 274: ok 576 # correct SSSR count 274: ok 577 # ring membership passed 274: ok 578 # correct SSSR count 274: ok 579 # ring membership passed 274: ok 580 # correct SSSR count 274: ok 581 # ring membership passed 274: ok 582 # correct SSSR count 274: ok 583 # ring membership passed 274: ok 584 # correct SSSR count 274: ok 585 # ring membership passed 274: ok 586 # correct SSSR count 274: ok 587 # ring membership passed 274: ok 588 # correct ring bond data 274: ok 589 # correct ring bond data 274: ok 590 # correct ring bond data 274: ok 591 # correct ring bond data 274: ok 592 # correct ring bond data 274: ok 593 # correct ring bond data 274: ok 594 # correct ring bond data 274: ok 595 # correct ring bond data 274: ok 596 # correct ring bond data 274: ok 597 # correct ring bond data 274: ok 598 # SSSR size matches reference 274: ok 599 # correct SSSR count 274: ok 600 # ring membership passed 274: ok 601 # correct SSSR count 274: ok 602 # ring membership passed 274: ok 603 # correct SSSR count 274: ok 604 # ring membership passed 274: ok 605 # correct SSSR count 274: ok 606 # ring membership passed 274: ok 607 # correct SSSR count 274: ok 608 # ring membership passed 274: ok 609 # correct SSSR count 274: ok 610 # ring membership passed 274: ok 611 # correct SSSR count 274: ok 612 # ring membership passed 274: ok 613 # correct SSSR count 274: ok 614 # ring membership passed 274: ok 615 # correct SSSR count 274: ok 616 # ring membership passed 274: ok 617 # correct SSSR count 274: ok 618 # ring membership passed 274: ok 619 # correct ring bond data 274: ok 620 # correct ring bond data 274: ok 621 # correct ring bond data 274: ok 622 # correct ring bond data 274: ok 623 # correct ring bond data 274: ok 624 # correct ring bond data 274: ok 625 # correct ring bond data 274: ok 626 # correct ring bond data 274: ok 627 # correct ring bond data 274: ok 628 # correct ring bond data 274: ok 629 # correct ring bond data 274: ok 630 # correct ring bond data 274: ok 631 # correct ring bond data 274: ok 632 # correct ring bond data 274: ok 633 # SSSR size matches reference 274: ok 634 # correct SSSR count 274: ok 635 # ring membership passed 274: ok 636 # correct SSSR count 274: ok 637 # ring membership passed 274: ok 638 # correct SSSR count 274: ok 639 # ring membership passed 274: ok 640 # correct SSSR count 274: ok 641 # ring membership passed 274: ok 642 # correct SSSR count 274: ok 643 # ring membership passed 274: ok 644 # correct SSSR count 274: ok 645 # ring membership passed 274: ok 646 # correct SSSR count 274: ok 647 # ring membership passed 274: ok 648 # correct SSSR count 274: ok 649 # ring membership passed 274: ok 650 # correct SSSR count 274: ok 651 # ring membership passed 274: ok 652 # correct SSSR count 274: ok 653 # ring membership passed 274: ok 654 # correct SSSR count 274: ok 655 # ring membership passed 274: ok 656 # correct SSSR count 274: ok 657 # ring membership passed 274: ok 658 # correct SSSR count 274: ok 659 # ring membership passed 274: ok 660 # correct ring bond data 274: ok 661 # correct ring bond data 274: ok 662 # correct ring bond data 274: ok 663 # correct ring bond data 274: ok 664 # correct ring bond data 274: ok 665 # correct ring bond data 274: ok 666 # correct ring bond data 274: ok 667 # correct ring bond data 274: ok 668 # correct ring bond data 274: ok 669 # correct ring bond data 274: ok 670 # correct ring bond data 274: ok 671 # correct ring bond data 274: ok 672 # correct ring bond data 274: ok 673 # correct ring bond data 274: ok 674 # correct ring bond data 274: ok 675 # correct ring bond data 274: ok 676 # SSSR size matches reference 274: ok 677 # correct SSSR count 274: ok 678 # ring membership passed 274: ok 679 # correct SSSR count 274: ok 680 # ring membership passed 274: ok 681 # correct SSSR count 274: ok 682 # ring membership passed 274: ok 683 # correct SSSR count 274: ok 684 # ring membership passed 274: ok 685 # correct SSSR count 274: ok 686 # ring membership passed 274: ok 687 # correct SSSR count 274: ok 688 # ring membership passed 274: ok 689 # correct SSSR count 274: ok 690 # ring membership passed 274: ok 691 # correct SSSR count 274: ok 692 # ring membership passed 274: ok 693 # correct SSSR count 274: ok 694 # ring membership passed 274: ok 695 # correct SSSR count 274: ok 696 # ring membership passed 274: ok 697 # correct SSSR count 274: ok 698 # ring membership passed 274: ok 699 # correct SSSR count 274: ok 700 # ring membership passed 274: ok 701 # correct SSSR count 274: ok 702 # ring membership passed 274: ok 703 # correct SSSR count 274: ok 704 # ring membership passed 274: ok 705 # correct SSSR count 274: ok 706 # ring membership passed 274: ok 707 # correct ring bond data 274: ok 708 # correct ring bond data 274: ok 709 # correct ring bond data 274: ok 710 # correct ring bond data 274: ok 711 # correct ring bond data 274: ok 712 # correct ring bond data 274: ok 713 # correct ring bond data 274: ok 714 # correct ring bond data 274: ok 715 # correct ring bond data 274: ok 716 # correct ring bond data 274: ok 717 # correct ring bond data 274: ok 718 # correct ring bond data 274: ok 719 # correct ring bond data 274: ok 720 # correct ring bond data 274: ok 721 # correct ring bond data 274: ok 722 # SSSR size matches reference 274: ok 723 # correct SSSR count 274: ok 724 # ring membership passed 274: ok 725 # correct SSSR count 274: ok 726 # ring membership passed 274: ok 727 # correct SSSR count 274: ok 728 # ring membership passed 274: ok 729 # correct SSSR count 274: ok 730 # ring membership passed 274: ok 731 # correct SSSR count 274: ok 732 # ring membership passed 274: ok 733 # correct SSSR count 274: ok 734 # ring membership passed 274: ok 735 # correct SSSR count 274: ok 736 # ring membership passed 274: ok 737 # correct SSSR count 274: ok 738 # ring membership passed 274: ok 739 # correct SSSR count 274: ok 740 # ring membership passed 274: ok 741 # correct SSSR count 274: ok 742 # ring membership passed 274: ok 743 # correct SSSR count 274: ok 744 # ring membership passed 274: ok 745 # correct SSSR count 274: ok 746 # ring membership passed 274: ok 747 # correct SSSR count 274: ok 748 # ring membership passed 274: ok 749 # correct SSSR count 274: ok 750 # ring membership passed 274: ok 751 # correct ring bond data 274: ok 752 # correct ring bond data 274: ok 753 # correct ring bond data 274: ok 754 # correct ring bond data 274: ok 755 # correct ring bond data 274: ok 756 # correct ring bond data 274: ok 757 # correct ring bond data 274: ok 758 # correct ring bond data 274: ok 759 # correct ring bond data 274: ok 760 # correct ring bond data 274: ok 761 # correct ring bond data 274: ok 762 # correct ring bond data 274: ok 763 # correct ring bond data 274: ok 764 # correct ring bond data 274: ok 765 # correct ring bond data 274: ok 766 # correct ring bond data 274: ok 767 # SSSR size matches reference 274: ok 768 # correct SSSR count 274: ok 769 # ring membership passed 274: ok 770 # correct SSSR count 274: ok 771 # ring membership passed 274: ok 772 # correct SSSR count 274: ok 773 # ring membership passed 274: ok 774 # correct SSSR count 274: ok 775 # ring membership passed 274: ok 776 # correct SSSR count 274: ok 777 # ring membership passed 274: ok 778 # correct SSSR count 274: ok 779 # ring membership passed 274: ok 780 # correct SSSR count 274: ok 781 # ring membership passed 274: ok 782 # correct SSSR count 274: ok 783 # ring membership passed 274: ok 784 # correct SSSR count 274: ok 785 # ring membership passed 274: ok 786 # correct SSSR count 274: ok 787 # ring membership passed 274: ok 788 # correct SSSR count 274: ok 789 # ring membership passed 274: ok 790 # correct SSSR count 274: ok 791 # ring membership passed 274: ok 792 # correct SSSR count 274: ok 793 # ring membership passed 274: ok 794 # correct SSSR count 274: ok 795 # ring membership passed 274: ok 796 # correct SSSR count 274: ok 797 # ring membership passed 274: ok 798 # correct ring bond data 274: ok 799 # correct ring bond data 274: ok 800 # correct ring bond data 274: ok 801 # correct ring bond data 274: ok 802 # correct ring bond data 274: ok 803 # correct ring bond data 274: ok 804 # correct ring bond data 274: ok 805 # correct ring bond data 274: ok 806 # correct ring bond data 274: ok 807 # correct ring bond data 274: ok 808 # correct ring bond data 274: ok 809 # correct ring bond data 274: ok 810 # correct ring bond data 274: ok 811 # correct ring bond data 274: ok 812 # correct ring bond data 274: ok 813 # correct ring bond data 274: ok 814 # correct ring bond data 274: ok 815 # SSSR size matches reference 274: ok 816 # correct SSSR count 274: ok 817 # ring membership passed 274: ok 818 # correct SSSR count 274: ok 819 # ring membership passed 274: ok 820 # correct SSSR count 274: ok 821 # ring membership passed 274: ok 822 # correct SSSR count 274: ok 823 # ring membership passed 274: ok 824 # correct SSSR count 274: ok 825 # ring membership passed 274: ok 826 # correct SSSR count 274: ok 827 # ring membership passed 274: ok 828 # correct SSSR count 274: ok 829 # ring membership passed 274: ok 830 # correct SSSR count 274: ok 831 # ring membership passed 274: ok 832 # correct SSSR count 274: ok 833 # ring membership passed 274: ok 834 # correct SSSR count 274: ok 835 # ring membership passed 274: ok 836 # correct SSSR count 274: ok 837 # ring membership passed 274: ok 838 # correct SSSR count 274: ok 839 # ring membership passed 274: ok 840 # correct SSSR count 274: ok 841 # ring membership passed 274: ok 842 # correct SSSR count 274: ok 843 # ring membership passed 274: ok 844 # correct SSSR count 274: ok 845 # ring membership passed 274: ok 846 # correct SSSR count 274: ok 847 # ring membership passed 274: ok 848 # correct ring bond data 274: ok 849 # correct ring bond data 274: ok 850 # correct ring bond data 274: ok 851 # correct ring bond data 274: ok 852 # correct ring bond data 274: ok 853 # correct ring bond data 274: ok 854 # correct ring bond data 274: ok 855 # correct ring bond data 274: ok 856 # correct ring bond data 274: ok 857 # correct ring bond data 274: ok 858 # correct ring bond data 274: ok 859 # correct ring bond data 274: ok 860 # correct ring bond data 274: ok 861 # correct ring bond data 274: ok 862 # correct ring bond data 274: ok 863 # correct ring bond data 274: ok 864 # correct ring bond data 274: ok 865 # correct ring bond data 274: ok 866 # correct ring bond data 274: ok 867 # SSSR size matches reference 274: ok 868 # correct SSSR count 274: ok 869 # ring membership passed 274: ok 870 # correct SSSR count 274: ok 871 # ring membership passed 274: ok 872 # correct SSSR count 274: ok 873 # ring membership passed 274: ok 874 # correct SSSR count 274: ok 875 # ring membership passed 274: ok 876 # correct SSSR count 274: ok 877 # ring membership passed 274: ok 878 # correct SSSR count 274: ok 879 # ring membership passed 274: ok 880 # correct SSSR count 274: ok 881 # ring membership passed 274: ok 882 # correct SSSR count 274: ok 883 # ring membership passed 274: ok 884 # correct SSSR count 274: ok 885 # ring membership passed 274: ok 886 # correct SSSR count 274: ok 887 # ring membership passed 274: ok 888 # correct SSSR count 274: ok 889 # ring membership passed 274: ok 890 # correct SSSR count 274: ok 891 # ring membership passed 274: ok 892 # correct SSSR count 274: ok 893 # ring membership passed 274: ok 894 # correct SSSR count 274: ok 895 # ring membership passed 274: ok 896 # correct SSSR count 274: ok 897 # ring membership passed 274: ok 898 # correct SSSR count 274: ok 899 # ring membership passed 274: ok 900 # correct SSSR count 274: ok 901 # ring membership passed 274: ok 902 # correct SSSR count 274: ok 903 # ring membership passed 274: ok 904 # correct ring bond data 274: ok 905 # correct ring bond data 274: ok 906 # correct ring bond data 274: ok 907 # correct ring bond data 274: ok 908 # correct ring bond data 274: ok 909 # correct ring bond data 274: ok 910 # correct ring bond data 274: ok 911 # correct ring bond data 274: ok 912 # correct ring bond data 274: ok 913 # correct ring bond data 274: ok 914 # correct ring bond data 274: ok 915 # correct ring bond data 274: ok 916 # correct ring bond data 274: ok 917 # correct ring bond data 274: ok 918 # correct ring bond data 274: ok 919 # correct ring bond data 274: ok 920 # SSSR size matches reference 274: ok 921 # correct SSSR count 274: ok 922 # ring membership passed 274: ok 923 # correct SSSR count 274: ok 924 # ring membership passed 274: ok 925 # correct SSSR count 274: ok 926 # ring membership passed 274: ok 927 # correct SSSR count 274: ok 928 # ring membership passed 274: ok 929 # correct SSSR count 274: ok 930 # ring membership passed 274: ok 931 # correct SSSR count 274: ok 932 # ring membership passed 274: ok 933 # correct SSSR count 274: ok 934 # ring membership passed 274: ok 935 # correct SSSR count 274: ok 936 # ring membership passed 274: ok 937 # correct SSSR count 274: ok 938 # ring membership passed 274: ok 939 # correct SSSR count 274: ok 940 # ring membership passed 274: ok 941 # correct SSSR count 274: ok 942 # ring membership passed 274: ok 943 # correct SSSR count 274: ok 944 # ring membership passed 274: ok 945 # correct SSSR count 274: ok 946 # ring membership passed 274: ok 947 # correct SSSR count 274: ok 948 # ring membership passed 274: ok 949 # correct SSSR count 274: ok 950 # ring membership passed 274: ok 951 # correct ring bond data 274: ok 952 # correct ring bond data 274: ok 953 # correct ring bond data 274: ok 954 # correct ring bond data 274: ok 955 # correct ring bond data 274: ok 956 # correct ring bond data 274: ok 957 # correct ring bond data 274: ok 958 # correct ring bond data 274: ok 959 # correct ring bond data 274: ok 960 # correct ring bond data 274: ok 961 # correct ring bond data 274: ok 962 # correct ring bond data 274: ok 963 # correct ring bond data 274: ok 964 # correct ring bond data 274: ok 965 # correct ring bond data 274: ok 966 # correct ring bond data 274: ok 967 # correct ring bond data 274: ok 968 # SSSR size matches reference 274: ok 969 # correct SSSR count 274: ok 970 # ring membership passed 274: ok 971 # correct SSSR count 274: ok 972 # ring membership passed 274: ok 973 # correct SSSR count 274: ok 974 # ring membership passed 274: ok 975 # correct SSSR count 274: ok 976 # ring membership passed 274: ok 977 # correct SSSR count 274: ok 978 # ring membership passed 274: ok 979 # correct SSSR count 274: ok 980 # ring membership passed 274: ok 981 # correct SSSR count 274: ok 982 # ring membership passed 274: ok 983 # correct SSSR count 274: ok 984 # ring membership passed 274: ok 985 # correct SSSR count 274: ok 986 # ring membership passed 274: ok 987 # correct SSSR count 274: ok 988 # ring membership passed 274: ok 989 # correct SSSR count 274: ok 990 # ring membership passed 274: ok 991 # correct SSSR count 274: ok 992 # ring membership passed 274: ok 993 # correct SSSR count 274: ok 994 # ring membership passed 274: ok 995 # correct SSSR count 274: ok 996 # ring membership passed 274: ok 997 # correct SSSR count 274: ok 998 # ring membership passed 274: ok 999 # correct SSSR count 274: ok 1000 # ring membership passed 274: ok 1001 # correct ring bond data 274: ok 1002 # correct ring bond data 274: ok 1003 # correct ring bond data 274: ok 1004 # correct ring bond data 274: ok 1005 # correct ring bond data 274: ok 1006 # correct ring bond data 274: ok 1007 # correct ring bond data 274: ok 1008 # correct ring bond data 274: ok 1009 # correct ring bond data 274: ok 1010 # correct ring bond data 274: ok 1011 # correct ring bond data 274: ok 1012 # correct ring bond data 274: ok 1013 # correct ring bond data 274: ok 1014 # correct ring bond data 274: ok 1015 # correct ring bond data 274: ok 1016 # correct ring bond data 274: ok 1017 # correct ring bond data 274: ok 1018 # correct ring bond data 274: ok 1019 # correct ring bond data 274: ok 1020 # correct ring bond data 274: ok 1021 # correct ring bond data 274: ok 1022 # correct ring bond data 274: ok 1023 # SSSR size matches reference 274: ok 1024 # correct SSSR count 274: ok 1025 # ring membership passed 274: ok 1026 # correct SSSR count 274: ok 1027 # ring membership passed 274: ok 1028 # correct SSSR count 274: ok 1029 # ring membership passed 274: ok 1030 # correct SSSR count 274: ok 1031 # ring membership passed 274: ok 1032 # correct SSSR count 274: ok 1033 # ring membership passed 274: ok 1034 # correct SSSR count 274: ok 1035 # ring membership passed 274: ok 1036 # correct SSSR count 274: ok 1037 # ring membership passed 274: ok 1038 # correct SSSR count 274: ok 1039 # ring membership passed 274: ok 1040 # correct SSSR count 274: ok 1041 # ring membership passed 274: ok 1042 # correct SSSR count 274: ok 1043 # ring membership passed 274: ok 1044 # correct SSSR count 274: ok 1045 # ring membership passed 274: ok 1046 # correct SSSR count 274: ok 1047 # ring membership passed 274: ok 1048 # correct SSSR count 274: ok 1049 # ring membership passed 274: ok 1050 # correct SSSR count 274: ok 1051 # ring membership passed 274: ok 1052 # correct SSSR count 274: ok 1053 # ring membership passed 274: ok 1054 # correct SSSR count 274: ok 1055 # ring membership passed 274: ok 1056 # correct SSSR count 274: ok 1057 # ring membership passed 274: ok 1058 # correct SSSR count 274: ok 1059 # ring membership passed 274: ok 1060 # correct SSSR count 274: ok 1061 # ring membership passed 274: ok 1062 # correct SSSR count 274: ok 1063 # ring membership passed 274: ok 1064 # correct ring bond data 274: ok 1065 # correct ring bond data 274: ok 1066 # correct ring bond data 274: ok 1067 # correct ring bond data 274: ok 1068 # correct ring bond data 274: ok 1069 # correct ring bond data 274: ok 1070 # correct ring bond data 274: ok 1071 # correct ring bond data 274: ok 1072 # correct ring bond data 274: ok 1073 # correct ring bond data 274: ok 1074 # correct ring bond data 274: ok 1075 # correct ring bond data 274: ok 1076 # correct ring bond data 274: ok 1077 # correct ring bond data 274: ok 1078 # correct ring bond data 274: ok 1079 # correct ring bond data 274: ok 1080 # correct ring bond data 274: ok 1081 # correct ring bond data 274: ok 1082 # correct ring bond data 274: ok 1083 # correct ring bond data 274: ok 1084 # correct ring bond data 274: ok 1085 # correct ring bond data 274: ok 1086 # correct ring bond data 274: ok 1087 # SSSR size matches reference 274: ok 1088 # correct SSSR count 274: ok 1089 # ring membership passed 274: ok 1090 # correct SSSR count 274: ok 1091 # ring membership passed 274: ok 1092 # correct SSSR count 274: ok 1093 # ring membership passed 274: ok 1094 # correct SSSR count 274: ok 1095 # ring membership passed 274: ok 1096 # correct SSSR count 274: ok 1097 # ring membership passed 274: ok 1098 # correct SSSR count 274: ok 1099 # ring membership passed 274: ok 1100 # correct SSSR count 274: ok 1101 # ring membership passed 274: ok 1102 # correct SSSR count 274: ok 1103 # ring membership passed 274: ok 1104 # correct SSSR count 274: ok 1105 # ring membership passed 274: ok 1106 # correct SSSR count 274: ok 1107 # ring membership passed 274: ok 1108 # correct SSSR count 274: ok 1109 # ring membership passed 274: ok 1110 # correct SSSR count 274: ok 1111 # ring membership passed 274: ok 1112 # correct SSSR count 274: ok 1113 # ring membership passed 274: ok 1114 # correct SSSR count 274: ok 1115 # ring membership passed 274: ok 1116 # correct SSSR count 274: ok 1117 # ring membership passed 274: ok 1118 # correct SSSR count 274: ok 1119 # ring membership passed 274: ok 1120 # correct SSSR count 274: ok 1121 # ring membership passed 274: ok 1122 # correct SSSR count 274: ok 1123 # ring membership passed 274: ok 1124 # correct SSSR count 274: ok 1125 # ring membership passed 274: ok 1126 # correct SSSR count 274: ok 1127 # ring membership passed 274: ok 1128 # correct SSSR count 274: ok 1129 # ring membership passed 274: ok 1130 # correct ring bond data 274: ok 1131 # correct ring bond data 274: ok 1132 # correct ring bond data 274: ok 1133 # correct ring bond data 274: ok 1134 # correct ring bond data 274: ok 1135 # correct ring bond data 274: ok 1136 # correct ring bond data 274: ok 1137 # correct ring bond data 274: ok 1138 # correct ring bond data 274: ok 1139 # correct ring bond data 274: ok 1140 # correct ring bond data 274: ok 1141 # correct ring bond data 274: ok 1142 # correct ring bond data 274: ok 1143 # correct ring bond data 274: ok 1144 # correct ring bond data 274: ok 1145 # correct ring bond data 274: ok 1146 # correct ring bond data 274: ok 1147 # correct ring bond data 274: ok 1148 # correct ring bond data 274: ok 1149 # correct ring bond data 274: ok 1150 # correct ring bond data 274: ok 1151 # correct ring bond data 274: ok 1152 # correct ring bond data 274: ok 1153 # SSSR size matches reference 274: ok 1154 # correct SSSR count 274: ok 1155 # ring membership passed 274: ok 1156 # correct SSSR count 274: ok 1157 # ring membership passed 274: ok 1158 # correct SSSR count 274: ok 1159 # ring membership passed 274: ok 1160 # correct SSSR count 274: ok 1161 # ring membership passed 274: ok 1162 # correct SSSR count 274: ok 1163 # ring membership passed 274: ok 1164 # correct SSSR count 274: ok 1165 # ring membership passed 274: ok 1166 # correct SSSR count 274: ok 1167 # ring membership passed 274: ok 1168 # correct SSSR count 274: ok 1169 # ring membership passed 274: ok 1170 # correct SSSR count 274: ok 1171 # ring membership passed 274: ok 1172 # correct SSSR count 274: ok 1173 # ring membership passed 274: ok 1174 # correct SSSR count 274: ok 1175 # ring membership passed 274: ok 1176 # correct SSSR count 274: ok 1177 # ring membership passed 274: ok 1178 # correct SSSR count 274: ok 1179 # ring membership passed 274: ok 1180 # correct SSSR count 274: ok 1181 # ring membership passed 274: ok 1182 # correct SSSR count 274: ok 1183 # ring membership passed 274: ok 1184 # correct SSSR count 274: ok 1185 # ring membership passed 274: ok 1186 # correct SSSR count 274: ok 1187 # ring membership passed 274: ok 1188 # correct SSSR count 274: ok 1189 # ring membership passed 274: ok 1190 # correct SSSR count 274: ok 1191 # ring membership passed 274: ok 1192 # correct SSSR count 274: ok 1193 # ring membership passed 274: ok 1194 # correct SSSR count 274: ok 1195 # ring membership passed 274: ok 1196 # correct ring bond data 274: ok 1197 # correct ring bond data 274: ok 1198 # correct ring bond data 274: ok 1199 # correct ring bond data 274: ok 1200 # correct ring bond data 274: ok 1201 # correct ring bond data 274: ok 1202 # correct ring bond data 274: ok 1203 # correct ring bond data 274: ok 1204 # correct ring bond data 274: ok 1205 # correct ring bond data 274: ok 1206 # correct ring bond data 274: ok 1207 # correct ring bond data 274: ok 1208 # correct ring bond data 274: ok 1209 # correct ring bond data 274: ok 1210 # correct ring bond data 274: ok 1211 # correct ring bond data 274: ok 1212 # correct ring bond data 274: ok 1213 # correct ring bond data 274: ok 1214 # correct ring bond data 274: ok 1215 # correct ring bond data 274: ok 1216 # correct ring bond data 274: ok 1217 # correct ring bond data 274: ok 1218 # correct ring bond data 274: ok 1219 # SSSR size matches reference 274: ok 1220 # correct SSSR count 274: ok 1221 # ring membership passed 274: ok 1222 # correct SSSR count 274: ok 1223 # ring membership passed 274: ok 1224 # correct SSSR count 274: ok 1225 # ring membership passed 274: ok 1226 # correct SSSR count 274: ok 1227 # ring membership passed 274: ok 1228 # correct SSSR count 274: ok 1229 # ring membership passed 274: ok 1230 # correct SSSR count 274: ok 1231 # ring membership passed 274: ok 1232 # correct SSSR count 274: ok 1233 # ring membership passed 274: ok 1234 # correct SSSR count 274: ok 1235 # ring membership passed 274: ok 1236 # correct SSSR count 274: ok 1237 # ring membership passed 274: ok 1238 # correct SSSR count 274: ok 1239 # ring membership passed 274: ok 1240 # correct SSSR count 274: ok 1241 # ring membership passed 274: ok 1242 # correct SSSR count 274: ok 1243 # ring membership passed 274: ok 1244 # correct SSSR count 274: ok 1245 # ring membership passed 274: ok 1246 # correct SSSR count 274: ok 1247 # ring membership passed 274: ok 1248 # correct SSSR count 274: ok 1249 # ring membership passed 274: ok 1250 # correct SSSR count 274: ok 1251 # ring membership passed 274: ok 1252 # correct SSSR count 274: ok 1253 # ring membership passed 274: ok 1254 # correct SSSR count 274: ok 1255 # ring membership passed 274: ok 1256 # correct SSSR count 274: ok 1257 # ring membership passed 274: ok 1258 # correct SSSR count 274: ok 1259 # ring membership passed 274: ok 1260 # correct SSSR count 274: ok 1261 # ring membership passed 274: ok 1262 # correct ring bond data 274: ok 1263 # correct ring bond data 274: ok 1264 # correct ring bond data 274: ok 1265 # correct ring bond data 274: ok 1266 # correct ring bond data 274: ok 1267 # correct ring bond data 274: ok 1268 # correct ring bond data 274: ok 1269 # correct ring bond data 274: ok 1270 # correct ring bond data 274: ok 1271 # correct ring bond data 274: ok 1272 # correct ring bond data 274: ok 1273 # correct ring bond data 274: ok 1274 # correct ring bond data 274: ok 1275 # correct ring bond data 274: ok 1276 # correct ring bond data 274: ok 1277 # correct ring bond data 274: ok 1278 # correct ring bond data 274: ok 1279 # correct ring bond data 274: ok 1280 # SSSR size matches reference 274: ok 1281 # correct SSSR count 274: ok 1282 # ring membership passed 274: ok 1283 # correct SSSR count 274: ok 1284 # ring membership passed 274: ok 1285 # correct SSSR count 274: ok 1286 # ring membership passed 274: ok 1287 # correct SSSR count 274: ok 1288 # ring membership passed 274: ok 1289 # correct SSSR count 274: ok 1290 # ring membership passed 274: ok 1291 # correct SSSR count 274: ok 1292 # ring membership passed 274: ok 1293 # correct SSSR count 274: ok 1294 # ring membership passed 274: ok 1295 # correct SSSR count 274: ok 1296 # ring membership passed 274: ok 1297 # correct SSSR count 274: ok 1298 # ring membership passed 274: ok 1299 # correct SSSR count 274: ok 1300 # ring membership passed 274: ok 1301 # correct SSSR count 274: ok 1302 # ring membership passed 274: ok 1303 # correct SSSR count 274: ok 1304 # ring membership passed 274: ok 1305 # correct SSSR count 274: ok 1306 # ring membership passed 274: ok 1307 # correct SSSR count 274: ok 1308 # ring membership passed 274: ok 1309 # correct SSSR count 274: ok 1310 # ring membership passed 274: ok 1311 # correct SSSR count 274: ok 1312 # ring membership passed 274: ok 1313 # correct ring bond data 274: ok 1314 # correct ring bond data 274: ok 1315 # correct ring bond data 274: ok 1316 # correct ring bond data 274: ok 1317 # correct ring bond data 274: ok 1318 # correct ring bond data 274: ok 1319 # correct ring bond data 274: ok 1320 # correct ring bond data 274: ok 1321 # correct ring bond data 274: ok 1322 # correct ring bond data 274: ok 1323 # correct ring bond data 274: ok 1324 # correct ring bond data 274: ok 1325 # correct ring bond data 274: ok 1326 # correct ring bond data 274: ok 1327 # correct ring bond data 274: ok 1328 # correct ring bond data 274: ok 1329 # correct ring bond data 274: ok 1330 # correct ring bond data 274: ok 1331 # correct ring bond data 274: ok 1332 # correct ring bond data 274: ok 1333 # SSSR size matches reference 274: ok 1334 # correct SSSR count 274: ok 1335 # ring membership passed 274: ok 1336 # correct SSSR count 274: ok 1337 # ring membership passed 274: ok 1338 # correct SSSR count 274: ok 1339 # ring membership passed 274: ok 1340 # correct SSSR count 274: ok 1341 # ring membership passed 274: ok 1342 # correct SSSR count 274: ok 1343 # ring membership passed 274: ok 1344 # correct SSSR count 274: ok 1345 # ring membership passed 274: ok 1346 # correct SSSR count 274: ok 1347 # ring membership passed 274: ok 1348 # correct SSSR count 274: ok 1349 # ring membership passed 274: ok 1350 # correct SSSR count 274: ok 1351 # ring membership passed 274: ok 1352 # correct SSSR count 274: ok 1353 # ring membership passed 274: ok 1354 # correct SSSR count 274: ok 1355 # ring membership passed 274: ok 1356 # correct SSSR count 274: ok 1357 # ring membership passed 274: ok 1358 # correct SSSR count 274: ok 1359 # ring membership passed 274: ok 1360 # correct SSSR count 274: ok 1361 # ring membership passed 274: ok 1362 # correct SSSR count 274: ok 1363 # ring membership passed 274: ok 1364 # correct SSSR count 274: ok 1365 # ring membership passed 274: ok 1366 # correct SSSR count 274: ok 1367 # ring membership passed 274: ok 1368 # correct SSSR count 274: ok 1369 # ring membership passed 274: ok 1370 # correct ring bond data 274: ok 1371 # correct ring bond data 274: ok 1372 # correct ring bond data 274: ok 1373 # correct ring bond data 274: ok 1374 # correct ring bond data 274: ok 1375 # correct ring bond data 274: ok 1376 # correct ring bond data 274: ok 1377 # correct ring bond data 274: ok 1378 # correct ring bond data 274: ok 1379 # correct ring bond data 274: ok 1380 # SSSR size matches reference 274: ok 1381 # correct SSSR count 274: ok 1382 # ring membership passed 274: ok 1383 # correct SSSR count 274: ok 1384 # ring membership passed 274: ok 1385 # correct SSSR count 274: ok 1386 # ring membership passed 274: ok 1387 # correct SSSR count 274: ok 1388 # ring membership passed 274: ok 1389 # correct SSSR count 274: ok 1390 # ring membership passed 274: ok 1391 # correct SSSR count 274: ok 1392 # ring membership passed 274: ok 1393 # correct SSSR count 274: ok 1394 # ring membership passed 274: ok 1395 # correct SSSR count 274: ok 1396 # ring membership passed 274: ok 1397 # correct SSSR count 274: ok 1398 # ring membership passed 274: ok 1399 # correct SSSR count 274: ok 1400 # ring membership passed 274: ok 1401 # correct SSSR count 274: ok 1402 # ring membership passed 274: ok 1403 # correct ring bond data 274: ok 1404 # correct ring bond data 274: ok 1405 # correct ring bond data 274: ok 1406 # correct ring bond data 274: ok 1407 # correct ring bond data 274: ok 1408 # correct ring bond data 274: ok 1409 # correct ring bond data 274: ok 1410 # correct ring bond data 274: ok 1411 # correct ring bond data 274: ok 1412 # correct ring bond data 274: ok 1413 # correct ring bond data 274: ok 1414 # correct ring bond data 274: ok 1415 # correct ring bond data 274: ok 1416 # correct ring bond data 274: ok 1417 # correct ring bond data 274: ok 1418 # correct ring bond data 274: ok 1419 # correct ring bond data 274: ok 1420 # correct ring bond data 274: ok 1421 # correct ring bond data 274: ok 1422 # correct ring bond data 274: ok 1423 # correct ring bond data 274: ok 1424 # correct ring bond data 274: ok 1425 # SSSR size matches reference 274: ok 1426 # correct SSSR count 274: ok 1427 # ring membership passed 274: ok 1428 # correct SSSR count 274: ok 1429 # ring membership passed 274: ok 1430 # correct SSSR count 274: ok 1431 # ring membership passed 274: ok 1432 # correct SSSR count 274: ok 1433 # ring membership passed 274: ok 1434 # correct SSSR count 274: ok 1435 # ring membership passed 274: ok 1436 # correct SSSR count 274: ok 1437 # ring membership passed 274: ok 1438 # correct SSSR count 274: ok 1439 # ring membership passed 274: ok 1440 # correct SSSR count 274: ok 1441 # ring membership passed 274: ok 1442 # correct SSSR count 274: ok 1443 # ring membership passed 274: ok 1444 # correct SSSR count 274: ok 1445 # ring membership passed 274: ok 1446 # correct SSSR count 274: ok 1447 # ring membership passed 274: ok 1448 # correct SSSR count 274: ok 1449 # ring membership passed 274: ok 1450 # correct SSSR count 274: ok 1451 # ring membership passed 274: ok 1452 # correct SSSR count 274: ok 1453 # ring membership passed 274: ok 1454 # correct SSSR count 274: ok 1455 # ring membership passed 274: ok 1456 # correct SSSR count 274: ok 1457 # ring membership passed 274: ok 1458 # correct SSSR count 274: ok 1459 # ring membership passed 274: ok 1460 # correct SSSR count 274: ok 1461 # ring membership passed 274: ok 1462 # correct SSSR count 274: ok 1463 # ring membership passed 274: ok 1464 # correct SSSR count 274: ok 1465 # ring membership passed 274: ok 1466 # correct ring bond data 274: ok 1467 # correct ring bond data 274: ok 1468 # correct ring bond data 274: ok 1469 # correct ring bond data 274: ok 1470 # correct ring bond data 274: ok 1471 # correct ring bond data 274: ok 1472 # correct ring bond data 274: ok 1473 # correct ring bond data 274: ok 1474 # correct ring bond data 274: ok 1475 # correct ring bond data 274: ok 1476 # correct ring bond data 274: ok 1477 # correct ring bond data 274: ok 1478 # correct ring bond data 274: ok 1479 # correct ring bond data 274: ok 1480 # SSSR size matches reference 274: ok 1481 # correct SSSR count 274: ok 1482 # ring membership passed 274: ok 1483 # correct SSSR count 274: ok 1484 # ring membership passed 274: ok 1485 # correct SSSR count 274: ok 1486 # ring membership passed 274: ok 1487 # correct SSSR count 274: ok 1488 # ring membership passed 274: ok 1489 # correct SSSR count 274: ok 1490 # ring membership passed 274: ok 1491 # correct SSSR count 274: ok 1492 # ring membership passed 274: ok 1493 # correct SSSR count 274: ok 1494 # ring membership passed 274: ok 1495 # correct SSSR count 274: ok 1496 # ring membership passed 274: ok 1497 # correct SSSR count 274: ok 1498 # ring membership passed 274: ok 1499 # correct SSSR count 274: ok 1500 # ring membership passed 274: ok 1501 # correct SSSR count 274: ok 1502 # ring membership passed 274: ok 1503 # correct SSSR count 274: ok 1504 # ring membership passed 274: ok 1505 # correct SSSR count 274: ok 1506 # ring membership passed 274: ok 1507 # correct ring bond data 274: ok 1508 # correct ring bond data 274: ok 1509 # correct ring bond data 274: ok 1510 # correct ring bond data 274: ok 1511 # correct ring bond data 274: ok 1512 # correct ring bond data 274: ok 1513 # correct ring bond data 274: ok 1514 # correct ring bond data 274: ok 1515 # correct ring bond data 274: ok 1516 # correct ring bond data 274: ok 1517 # correct ring bond data 274: ok 1518 # correct ring bond data 274: ok 1519 # correct ring bond data 274: ok 1520 # correct ring bond data 274: ok 1521 # correct ring bond data 274: ok 1522 # correct ring bond data 274: ok 1523 # correct ring bond data 274: ok 1524 # correct ring bond data 274: ok 1525 # correct ring bond data 274: ok 1526 # correct ring bond data 274: ok 1527 # correct ring bond data 274: ok 1528 # correct ring bond data 274: ok 1529 # correct ring bond data 274: ok 1530 # correct ring bond data 274: ok 1531 # SSSR size matches reference 274: ok 1532 # correct SSSR count 274: ok 1533 # ring membership passed 274: ok 1534 # correct SSSR count 274: ok 1535 # ring membership passed 274: ok 1536 # correct SSSR count 274: ok 1537 # ring membership passed 274: ok 1538 # correct SSSR count 274: ok 1539 # ring membership passed 274: ok 1540 # correct SSSR count 274: ok 1541 # ring membership passed 274: ok 1542 # correct SSSR count 274: ok 1543 # ring membership passed 274: ok 1544 # correct SSSR count 274: ok 1545 # ring membership passed 274: ok 1546 # correct SSSR count 274: ok 1547 # ring membership passed 274: ok 1548 # correct SSSR count 274: ok 1549 # ring membership passed 274: ok 1550 # correct SSSR count 274: ok 1551 # ring membership passed 274: ok 1552 # correct SSSR count 274: ok 1553 # ring membership passed 274: ok 1554 # correct SSSR count 274: ok 1555 # ring membership passed 274: ok 1556 # correct SSSR count 274: ok 1557 # ring membership passed 274: ok 1558 # correct SSSR count 274: ok 1559 # ring membership passed 274: ok 1560 # correct SSSR count 274: ok 1561 # ring membership passed 274: ok 1562 # correct SSSR count 274: ok 1563 # ring membership passed 274: ok 1564 # correct SSSR count 274: ok 1565 # ring membership passed 274: ok 1566 # correct SSSR count 274: ok 1567 # ring membership passed 274: ok 1568 # correct SSSR count 274: ok 1569 # ring membership passed 274: ok 1570 # correct SSSR count 274: ok 1571 # ring membership passed 274: ok 1572 # correct SSSR count 274: ok 1573 # ring membership passed 274: ok 1574 # correct SSSR count 274: ok 1575 # ring membership passed 274: ok 1576 # correct ring bond data 274: ok 1577 # correct ring bond data 274: ok 1578 # correct ring bond data 274: ok 1579 # correct ring bond data 274: ok 1580 # correct ring bond data 274: ok 1581 # correct ring bond data 274: ok 1582 # correct ring bond data 274: ok 1583 # correct ring bond data 274: ok 1584 # correct ring bond data 274: ok 1585 # correct ring bond data 274: ok 1586 # correct ring bond data 274: ok 1587 # correct ring bond data 274: ok 1588 # correct ring bond data 274: ok 1589 # correct ring bond data 274: ok 1590 # correct ring bond data 274: ok 1591 # correct ring bond data 274: ok 1592 # correct ring bond data 274: ok 1593 # SSSR size matches reference 274: ok 1594 # correct SSSR count 274: ok 1595 # ring membership passed 274: ok 1596 # correct SSSR count 274: ok 1597 # ring membership passed 274: ok 1598 # correct SSSR count 274: ok 1599 # ring membership passed 274: ok 1600 # correct SSSR count 274: ok 1601 # ring membership passed 274: ok 1602 # correct SSSR count 274: ok 1603 # ring membership passed 274: ok 1604 # correct SSSR count 274: ok 1605 # ring membership passed 274: ok 1606 # correct SSSR count 274: ok 1607 # ring membership passed 274: ok 1608 # correct SSSR count 274: ok 1609 # ring membership passed 274: ok 1610 # correct SSSR count 274: ok 1611 # ring membership passed 274: ok 1612 # correct SSSR count 274: ok 1613 # ring membership passed 274: ok 1614 # correct SSSR count 274: ok 1615 # ring membership passed 274: ok 1616 # correct SSSR count 274: ok 1617 # ring membership passed 274: ok 1618 # correct SSSR count 274: ok 1619 # ring membership passed 274: ok 1620 # correct SSSR count 274: ok 1621 # ring membership passed 274: ok 1622 # correct SSSR count 274: ok 1623 # ring membership passed 274: ok 1624 # correct SSSR count 274: ok 1625 # ring membership passed 274: ok 1626 # correct SSSR count 274: ok 1627 # ring membership passed 274: ok 1628 # correct ring bond data 274: ok 1629 # correct ring bond data 274: ok 1630 # correct ring bond data 274: ok 1631 # correct ring bond data 274: ok 1632 # correct ring bond data 274: ok 1633 # correct ring bond data 274: ok 1634 # correct ring bond data 274: ok 1635 # correct ring bond data 274: ok 1636 # correct ring bond data 274: ok 1637 # correct ring bond data 274: ok 1638 # correct ring bond data 274: ok 1639 # correct ring bond data 274: ok 1640 # correct ring bond data 274: ok 1641 # correct ring bond data 274: ok 1642 # correct ring bond data 274: ok 1643 # correct ring bond data 274: ok 1644 # SSSR size matches reference 274: ok 1645 # correct SSSR count 274: ok 1646 # ring membership passed 274: ok 1647 # correct SSSR count 274: ok 1648 # ring membership passed 274: ok 1649 # correct SSSR count 274: ok 1650 # ring membership passed 274: ok 1651 # correct SSSR count 274: ok 1652 # ring membership passed 274: ok 1653 # correct SSSR count 274: ok 1654 # ring membership passed 274: ok 1655 # correct SSSR count 274: ok 1656 # ring membership passed 274: ok 1657 # correct SSSR count 274: ok 1658 # ring membership passed 274: ok 1659 # correct SSSR count 274: ok 1660 # ring membership passed 274: ok 1661 # correct SSSR count 274: ok 1662 # ring membership passed 274: ok 1663 # correct SSSR count 274: ok 1664 # ring membership passed 274: ok 1665 # correct SSSR count 274: ok 1666 # ring membership passed 274: ok 1667 # correct SSSR count 274: ok 1668 # ring membership passed 274: ok 1669 # correct SSSR count 274: ok 1670 # ring membership passed 274: ok 1671 # correct SSSR count 274: ok 1672 # ring membership passed 274: ok 1673 # correct SSSR count 274: ok 1674 # ring membership passed 274: ok 1675 # correct ring bond data 274: ok 1676 # correct ring bond data 274: ok 1677 # correct ring bond data 274: ok 1678 # correct ring bond data 274: ok 1679 # correct ring bond data 274: ok 1680 # correct ring bond data 274: ok 1681 # correct ring bond data 274: ok 1682 # correct ring bond data 274: ok 1683 # correct ring bond data 274: ok 1684 # correct ring bond data 274: ok 1685 # correct ring bond data 274: ok 1686 # correct ring bond data 274: ok 1687 # correct ring bond data 274: ok 1688 # correct ring bond data 274: ok 1689 # correct ring bond data 274: ok 1690 # correct ring bond data 274: ok 1691 # correct ring bond data 274: ok 1692 # correct ring bond data 274: ok 1693 # correct ring bond data 274: ok 1694 # SSSR size matches reference 274: ok 1695 # correct SSSR count 274: ok 1696 # ring membership passed 274: ok 1697 # correct SSSR count 274: ok 1698 # ring membership passed 274: ok 1699 # correct SSSR count 274: ok 1700 # ring membership passed 274: ok 1701 # correct SSSR count 274: ok 1702 # ring membership passed 274: ok 1703 # correct SSSR count 274: ok 1704 # ring membership passed 274: ok 1705 # correct SSSR count 274: ok 1706 # ring membership passed 274: ok 1707 # correct SSSR count 274: ok 1708 # ring membership passed 274: ok 1709 # correct SSSR count 274: ok 1710 # ring membership passed 274: ok 1711 # correct SSSR count 274: ok 1712 # ring membership passed 274: ok 1713 # correct SSSR count 274: ok 1714 # ring membership passed 274: ok 1715 # correct SSSR count 274: ok 1716 # ring membership passed 274: ok 1717 # correct SSSR count 274: ok 1718 # ring membership passed 274: ok 1719 # correct SSSR count 274: ok 1720 # ring membership passed 274: ok 1721 # correct SSSR count 274: ok 1722 # ring membership passed 274: ok 1723 # correct SSSR count 274: ok 1724 # ring membership passed 274: ok 1725 # correct SSSR count 274: ok 1726 # ring membership passed 274: ok 1727 # correct SSSR count 274: ok 1728 # ring membership passed 274: ok 1729 # correct SSSR count 274: ok 1730 # ring membership passed 274: ok 1731 # correct ring bond data 274: ok 1732 # correct ring bond data 274: ok 1733 # correct ring bond data 274: ok 1734 # correct ring bond data 274: ok 1735 # correct ring bond data 274: ok 1736 # correct ring bond data 274: ok 1737 # correct ring bond data 274: ok 1738 # correct ring bond data 274: ok 1739 # correct ring bond data 274: ok 1740 # correct ring bond data 274: ok 1741 # correct ring bond data 274: ok 1742 # SSSR size matches reference 274: ok 1743 # correct SSSR count 274: ok 1744 # ring membership passed 274: ok 1745 # correct SSSR count 274: ok 1746 # ring membership passed 274: ok 1747 # correct SSSR count 274: ok 1748 # ring membership passed 274: ok 1749 # correct SSSR count 274: ok 1750 # ring membership passed 274: ok 1751 # correct SSSR count 274: ok 1752 # ring membership passed 274: ok 1753 # correct SSSR count 274: ok 1754 # ring membership passed 274: ok 1755 # correct SSSR count 274: ok 1756 # ring membership passed 274: ok 1757 # correct SSSR count 274: ok 1758 # ring membership passed 274: ok 1759 # correct SSSR count 274: ok 1760 # ring membership passed 274: ok 1761 # correct SSSR count 274: ok 1762 # ring membership passed 274: ok 1763 # correct SSSR count 274: ok 1764 # ring membership passed 274: ok 1765 # correct SSSR count 274: ok 1766 # ring membership passed 274: ok 1767 # correct ring bond data 274: ok 1768 # correct ring bond data 274: ok 1769 # correct ring bond data 274: ok 1770 # correct ring bond data 274: ok 1771 # correct ring bond data 274: ok 1772 # correct ring bond data 274: ok 1773 # correct ring bond data 274: ok 1774 # correct ring bond data 274: ok 1775 # correct ring bond data 274: ok 1776 # correct ring bond data 274: ok 1777 # correct ring bond data 274: ok 1778 # correct ring bond data 274: ok 1779 # correct ring bond data 274: ok 1780 # correct ring bond data 274: ok 1781 # correct ring bond data 274: ok 1782 # correct ring bond data 274: ok 1783 # correct ring bond data 274: ok 1784 # correct ring bond data 274: ok 1785 # correct ring bond data 274: ok 1786 # SSSR size matches reference 274: ok 1787 # correct SSSR count 274: ok 1788 # ring membership passed 274: ok 1789 # correct SSSR count 274: ok 1790 # ring membership passed 274: ok 1791 # correct SSSR count 274: ok 1792 # ring membership passed 274: ok 1793 # correct SSSR count 274: ok 1794 # ring membership passed 274: ok 1795 # correct SSSR count 274: ok 1796 # ring membership passed 274: ok 1797 # correct SSSR count 274: ok 1798 # ring membership passed 274: ok 1799 # correct SSSR count 274: ok 1800 # ring membership passed 274: ok 1801 # correct SSSR count 274: ok 1802 # ring membership passed 274: ok 1803 # correct SSSR count 274: ok 1804 # ring membership passed 274: ok 1805 # correct SSSR count 274: ok 1806 # ring membership passed 274: ok 1807 # correct SSSR count 274: ok 1808 # ring membership passed 274: ok 1809 # correct SSSR count 274: ok 1810 # ring membership passed 274: ok 1811 # correct SSSR count 274: ok 1812 # ring membership passed 274: ok 1813 # correct SSSR count 274: ok 1814 # ring membership passed 274: ok 1815 # correct SSSR count 274: ok 1816 # ring membership passed 274: ok 1817 # correct SSSR count 274: ok 1818 # ring membership passed 274: ok 1819 # correct SSSR count 274: ok 1820 # ring membership passed 274: ok 1821 # correct SSSR count 274: ok 1822 # ring membership passed 274: ok 1823 # correct SSSR count 274: ok 1824 # ring membership passed 274: ok 1825 # correct ring bond data 274: ok 1826 # correct ring bond data 274: ok 1827 # correct ring bond data 274: ok 1828 # correct ring bond data 274: ok 1829 # correct ring bond data 274: ok 1830 # correct ring bond data 274: ok 1831 # correct ring bond data 274: ok 1832 # correct ring bond data 274: ok 1833 # correct ring bond data 274: ok 1834 # correct ring bond data 274: ok 1835 # correct ring bond data 274: ok 1836 # correct ring bond data 274: ok 1837 # correct ring bond data 274: ok 1838 # correct ring bond data 274: ok 1839 # correct ring bond data 274: ok 1840 # correct ring bond data 274: ok 1841 # correct ring bond data 274: ok 1842 # correct ring bond data 274: ok 1843 # correct ring bond data 274: ok 1844 # SSSR size matches reference 274: ok 1845 # correct SSSR count 274: ok 1846 # ring membership passed 274: ok 1847 # correct SSSR count 274: ok 1848 # ring membership passed 274: ok 1849 # correct SSSR count 274: ok 1850 # ring membership passed 274: ok 1851 # correct SSSR count 274: ok 1852 # ring membership passed 274: ok 1853 # correct SSSR count 274: ok 1854 # ring membership passed 274: ok 1855 # correct SSSR count 274: ok 1856 # ring membership passed 274: ok 1857 # correct SSSR count 274: ok 1858 # ring membership passed 274: ok 1859 # correct SSSR count 274: ok 1860 # ring membership passed 274: ok 1861 # correct SSSR count 274: ok 1862 # ring membership passed 274: ok 1863 # correct SSSR count 274: ok 1864 # ring membership passed 274: ok 1865 # correct SSSR count 274: ok 1866 # ring membership passed 274: ok 1867 # correct SSSR count 274: ok 1868 # ring membership passed 274: ok 1869 # correct SSSR count 274: ok 1870 # ring membership passed 274: ok 1871 # correct SSSR count 274: ok 1872 # ring membership passed 274: ok 1873 # correct SSSR count 274: ok 1874 # ring membership passed 274: ok 1875 # correct SSSR count 274: ok 1876 # ring membership passed 274: ok 1877 # correct SSSR count 274: ok 1878 # ring membership passed 274: ok 1879 # correct SSSR count 274: ok 1880 # ring membership passed 274: ok 1881 # correct SSSR count 274: ok 1882 # ring membership passed 274: ok 1883 # correct ring bond data 274: ok 1884 # correct ring bond data 274: ok 1885 # correct ring bond data 274: ok 1886 # correct ring bond data 274: ok 1887 # correct ring bond data 274: ok 1888 # correct ring bond data 274: ok 1889 # correct ring bond data 274: ok 1890 # correct ring bond data 274: ok 1891 # correct ring bond data 274: ok 1892 # correct ring bond data 274: ok 1893 # correct ring bond data 274: ok 1894 # correct ring bond data 274: ok 1895 # correct ring bond data 274: ok 1896 # correct ring bond data 274: ok 1897 # correct ring bond data 274: ok 1898 # correct ring bond data 274: ok 1899 # correct ring bond data 274: ok 1900 # correct ring bond data 274: ok 1901 # correct ring bond data 274: ok 1902 # correct ring bond data 274: ok 1903 # correct ring bond data 274: ok 1904 # correct ring bond data 274: ok 1905 # correct ring bond data 274: ok 1906 # SSSR size matches reference 274: ok 1907 # correct SSSR count 274: ok 1908 # ring membership passed 274: ok 1909 # correct SSSR count 274: ok 1910 # ring membership passed 274: ok 1911 # correct SSSR count 274: ok 1912 # ring membership passed 274: ok 1913 # correct SSSR count 274: ok 1914 # ring membership passed 274: ok 1915 # correct SSSR count 274: ok 1916 # ring membership passed 274: ok 1917 # correct SSSR count 274: ok 1918 # ring membership passed 274: ok 1919 # correct SSSR count 274: ok 1920 # ring membership passed 274: ok 1921 # correct SSSR count 274: ok 1922 # ring membership passed 274: ok 1923 # correct SSSR count 274: ok 1924 # ring membership passed 274: ok 1925 # correct SSSR count 274: ok 1926 # ring membership passed 274: ok 1927 # correct SSSR count 274: ok 1928 # ring membership passed 274: ok 1929 # correct SSSR count 274: ok 1930 # ring membership passed 274: ok 1931 # correct SSSR count 274: ok 1932 # ring membership passed 274: ok 1933 # correct SSSR count 274: ok 1934 # ring membership passed 274: ok 1935 # correct SSSR count 274: ok 1936 # ring membership passed 274: ok 1937 # correct SSSR count 274: ok 1938 # ring membership passed 274: ok 1939 # correct SSSR count 274: ok 1940 # ring membership passed 274: ok 1941 # correct SSSR count 274: ok 1942 # ring membership passed 274: ok 1943 # correct SSSR count 274: ok 1944 # ring membership passed 274: ok 1945 # correct SSSR count 274: ok 1946 # ring membership passed 274: ok 1947 # correct SSSR count 274: ok 1948 # ring membership passed 274: ok 1949 # correct ring bond data 274: ok 1950 # correct ring bond data 274: ok 1951 # correct ring bond data 274: ok 1952 # correct ring bond data 274: ok 1953 # correct ring bond data 274: ok 1954 # correct ring bond data 274: ok 1955 # correct ring bond data 274: ok 1956 # correct ring bond data 274: ok 1957 # correct ring bond data 274: ok 1958 # correct ring bond data 274: ok 1959 # correct ring bond data 274: ok 1960 # correct ring bond data 274: ok 1961 # correct ring bond data 274: ok 1962 # correct ring bond data 274: ok 1963 # correct ring bond data 274: ok 1964 # correct ring bond data 274: ok 1965 # SSSR size matches reference 274: ok 1966 # correct SSSR count 274: ok 1967 # ring membership passed 274: ok 1968 # correct SSSR count 274: ok 1969 # ring membership passed 274: ok 1970 # correct SSSR count 274: ok 1971 # ring membership passed 274: ok 1972 # correct SSSR count 274: ok 1973 # ring membership passed 274: ok 1974 # correct SSSR count 274: ok 1975 # ring membership passed 274: ok 1976 # correct SSSR count 274: ok 1977 # ring membership passed 274: ok 1978 # correct SSSR count 274: ok 1979 # ring membership passed 274: ok 1980 # correct SSSR count 274: ok 1981 # ring membership passed 274: ok 1982 # correct SSSR count 274: ok 1983 # ring membership passed 274: ok 1984 # correct SSSR count 274: ok 1985 # ring membership passed 274: ok 1986 # correct SSSR count 274: ok 1987 # ring membership passed 274: ok 1988 # correct SSSR count 274: ok 1989 # ring membership passed 274: ok 1990 # correct SSSR count 274: ok 1991 # ring membership passed 274: ok 1992 # correct SSSR count 274: ok 1993 # ring membership passed 274: ok 1994 # correct SSSR count 274: ok 1995 # ring membership passed 274: ok 1996 # correct SSSR count 274: ok 1997 # ring membership passed 274: ok 1998 # correct ring bond data 274: ok 1999 # correct ring bond data 274: ok 2000 # correct ring bond data 274: ok 2001 # correct ring bond data 274: ok 2002 # correct ring bond data 274: ok 2003 # correct ring bond data 274: ok 2004 # correct ring bond data 274: ok 2005 # correct ring bond data 274: ok 2006 # correct ring bond data 274: ok 2007 # correct ring bond data 274: ok 2008 # correct ring bond data 274: ok 2009 # correct ring bond data 274: ok 2010 # correct ring bond data 274: ok 2011 # correct ring bond data 274: ok 2012 # correct ring bond data 274: ok 2013 # correct ring bond data 274: ok 2014 # SSSR size matches reference 274: ok 2015 # correct SSSR count 274: ok 2016 # ring membership passed 274: ok 2017 # correct SSSR count 274: ok 2018 # ring membership passed 274: ok 2019 # correct SSSR count 274: ok 2020 # ring membership passed 274: ok 2021 # correct SSSR count 274: ok 2022 # ring membership passed 274: ok 2023 # correct SSSR count 274: ok 2024 # ring membership passed 274: ok 2025 # correct SSSR count 274: ok 2026 # ring membership passed 274: ok 2027 # correct SSSR count 274: ok 2028 # ring membership passed 274: ok 2029 # correct SSSR count 274: ok 2030 # ring membership passed 274: ok 2031 # correct SSSR count 274: ok 2032 # ring membership passed 274: ok 2033 # correct SSSR count 274: ok 2034 # ring membership passed 274: ok 2035 # correct SSSR count 274: ok 2036 # ring membership passed 274: ok 2037 # correct SSSR count 274: ok 2038 # ring membership passed 274: ok 2039 # correct SSSR count 274: ok 2040 # ring membership passed 274: ok 2041 # correct SSSR count 274: ok 2042 # ring membership passed 274: ok 2043 # correct SSSR count 274: ok 2044 # ring membership passed 274: ok 2045 # correct SSSR count 274: ok 2046 # ring membership passed 274: ok 2047 # correct ring bond data 274: ok 2048 # correct ring bond data 274: ok 2049 # correct ring bond data 274: ok 2050 # correct ring bond data 274: ok 2051 # correct ring bond data 274: ok 2052 # correct ring bond data 274: ok 2053 # correct ring bond data 274: ok 2054 # correct ring bond data 274: ok 2055 # correct ring bond data 274: ok 2056 # correct ring bond data 274: ok 2057 # correct ring bond data 274: ok 2058 # correct ring bond data 274: ok 2059 # correct ring bond data 274: ok 2060 # correct ring bond data 274: ok 2061 # correct ring bond data 274: ok 2062 # correct ring bond data 274: ok 2063 # SSSR size matches reference 274: ok 2064 # correct SSSR count 274: ok 2065 # ring membership passed 274: ok 2066 # correct SSSR count 274: ok 2067 # ring membership passed 274: ok 2068 # correct SSSR count 274: ok 2069 # ring membership passed 274: ok 2070 # correct SSSR count 274: ok 2071 # ring membership passed 274: ok 2072 # correct SSSR count 274: ok 2073 # ring membership passed 274: ok 2074 # correct SSSR count 274: ok 2075 # ring membership passed 274: ok 2076 # correct SSSR count 274: ok 2077 # ring membership passed 274: ok 2078 # correct SSSR count 274: ok 2079 # ring membership passed 274: ok 2080 # correct SSSR count 274: ok 2081 # ring membership passed 274: ok 2082 # correct SSSR count 274: ok 2083 # ring membership passed 274: ok 2084 # correct SSSR count 274: ok 2085 # ring membership passed 274: ok 2086 # correct SSSR count 274: ok 2087 # ring membership passed 274: ok 2088 # correct SSSR count 274: ok 2089 # ring membership passed 274: ok 2090 # correct SSSR count 274: ok 2091 # ring membership passed 274: ok 2092 # correct SSSR count 274: ok 2093 # ring membership passed 274: ok 2094 # correct SSSR count 274: ok 2095 # ring membership passed 274: ok 2096 # correct ring bond data 274: ok 2097 # correct ring bond data 274: ok 2098 # correct ring bond data 274: ok 2099 # correct ring bond data 274: ok 2100 # correct ring bond data 274: ok 2101 # correct ring bond data 274: ok 2102 # correct ring bond data 274: ok 2103 # correct ring bond data 274: ok 2104 # correct ring bond data 274: ok 2105 # correct ring bond data 274: ok 2106 # correct ring bond data 274: ok 2107 # correct ring bond data 274: ok 2108 # correct ring bond data 274: ok 2109 # correct ring bond data 274: ok 2110 # correct ring bond data 274: ok 2111 # correct ring bond data 274: ok 2112 # SSSR size matches reference 274: ok 2113 # correct SSSR count 274: ok 2114 # ring membership passed 274: ok 2115 # correct SSSR count 274: ok 2116 # ring membership passed 274: ok 2117 # correct SSSR count 274: ok 2118 # ring membership passed 274: ok 2119 # correct SSSR count 274: ok 2120 # ring membership passed 274: ok 2121 # correct SSSR count 274: ok 2122 # ring membership passed 274: ok 2123 # correct SSSR count 274: ok 2124 # ring membership passed 274: ok 2125 # correct SSSR count 274: ok 2126 # ring membership passed 274: ok 2127 # correct SSSR count 274: ok 2128 # ring membership passed 274: ok 2129 # correct SSSR count 274: ok 2130 # ring membership passed 274: ok 2131 # correct SSSR count 274: ok 2132 # ring membership passed 274: ok 2133 # correct SSSR count 274: ok 2134 # ring membership passed 274: ok 2135 # correct SSSR count 274: ok 2136 # ring membership passed 274: ok 2137 # correct SSSR count 274: ok 2138 # ring membership passed 274: ok 2139 # correct SSSR count 274: ok 2140 # ring membership passed 274: ok 2141 # correct SSSR count 274: ok 2142 # ring membership passed 274: ok 2143 # correct SSSR count 274: ok 2144 # ring membership passed 274: ok 2145 # correct ring bond data 274: ok 2146 # correct ring bond data 274: ok 2147 # correct ring bond data 274: ok 2148 # correct ring bond data 274: ok 2149 # correct ring bond data 274: ok 2150 # correct ring bond data 274: ok 2151 # correct ring bond data 274: ok 2152 # correct ring bond data 274: ok 2153 # correct ring bond data 274: ok 2154 # correct ring bond data 274: ok 2155 # correct ring bond data 274: ok 2156 # correct ring bond data 274: ok 2157 # correct ring bond data 274: ok 2158 # correct ring bond data 274: ok 2159 # correct ring bond data 274: ok 2160 # correct ring bond data 274: ok 2161 # correct ring bond data 274: ok 2162 # correct ring bond data 274: ok 2163 # correct ring bond data 274: ok 2164 # SSSR size matches reference 274: ok 2165 # correct SSSR count 274: ok 2166 # ring membership passed 274: ok 2167 # correct SSSR count 274: ok 2168 # ring membership passed 274: ok 2169 # correct SSSR count 274: ok 2170 # ring membership passed 274: ok 2171 # correct SSSR count 274: ok 2172 # ring membership passed 274: ok 2173 # correct SSSR count 274: ok 2174 # ring membership passed 274: ok 2175 # correct SSSR count 274: ok 2176 # ring membership passed 274: ok 2177 # correct SSSR count 274: ok 2178 # ring membership passed 274: ok 2179 # correct SSSR count 274: ok 2180 # ring membership passed 274: ok 2181 # correct SSSR count 274: ok 2182 # ring membership passed 274: ok 2183 # correct SSSR count 274: ok 2184 # ring membership passed 274: ok 2185 # correct SSSR count 274: ok 2186 # ring membership passed 274: ok 2187 # correct SSSR count 274: ok 2188 # ring membership passed 274: ok 2189 # correct SSSR count 274: ok 2190 # ring membership passed 274: ok 2191 # correct SSSR count 274: ok 2192 # ring membership passed 274: ok 2193 # correct SSSR count 274: ok 2194 # ring membership passed 274: ok 2195 # correct SSSR count 274: ok 2196 # ring membership passed 274: ok 2197 # correct SSSR count 274: ok 2198 # ring membership passed 274: ok 2199 # correct SSSR count 274: ok 2200 # ring membership passed 274: ok 2201 # correct ring bond data 274: ok 2202 # correct ring bond data 274: ok 2203 # correct ring bond data 274: ok 2204 # correct ring bond data 274: ok 2205 # correct ring bond data 274: ok 2206 # correct ring bond data 274: ok 2207 # correct ring bond data 274: ok 2208 # correct ring bond data 274: ok 2209 # correct ring bond data 274: ok 2210 # correct ring bond data 274: ok 2211 # correct ring bond data 274: ok 2212 # correct ring bond data 274: ok 2213 # correct ring bond data 274: ok 2214 # correct ring bond data 274: ok 2215 # correct ring bond data 274: ok 2216 # correct ring bond data 274: ok 2217 # correct ring bond data 274: ok 2218 # correct ring bond data 274: ok 2219 # correct ring bond data 274: ok 2220 # SSSR size matches reference 274: ok 2221 # correct SSSR count 274: ok 2222 # ring membership passed 274: ok 2223 # correct SSSR count 274: ok 2224 # ring membership passed 274: ok 2225 # correct SSSR count 274: ok 2226 # ring membership passed 274: ok 2227 # correct SSSR count 274: ok 2228 # ring membership passed 274: ok 2229 # correct SSSR count 274: ok 2230 # ring membership passed 274: ok 2231 # correct SSSR count 274: ok 2232 # ring membership passed 274: ok 2233 # correct SSSR count 274: ok 2234 # ring membership passed 274: ok 2235 # correct SSSR count 274: ok 2236 # ring membership passed 274: ok 2237 # correct SSSR count 274: ok 2238 # ring membership passed 274: ok 2239 # correct SSSR count 274: ok 2240 # ring membership passed 274: ok 2241 # correct SSSR count 274: ok 2242 # ring membership passed 274: ok 2243 # correct SSSR count 274: ok 2244 # ring membership passed 274: ok 2245 # correct SSSR count 274: ok 2246 # ring membership passed 274: ok 2247 # correct SSSR count 274: ok 2248 # ring membership passed 274: ok 2249 # correct SSSR count 274: ok 2250 # ring membership passed 274: ok 2251 # correct SSSR count 274: ok 2252 # ring membership passed 274: ok 2253 # correct SSSR count 274: ok 2254 # ring membership passed 274: ok 2255 # correct ring bond data 274: ok 2256 # correct ring bond data 274: ok 2257 # correct ring bond data 274: ok 2258 # correct ring bond data 274: ok 2259 # correct ring bond data 274: ok 2260 # correct ring bond data 274: ok 2261 # correct ring bond data 274: ok 2262 # correct ring bond data 274: ok 2263 # correct ring bond data 274: ok 2264 # correct ring bond data 274: ok 2265 # correct ring bond data 274: ok 2266 # correct ring bond data 274: ok 2267 # correct ring bond data 274: ok 2268 # correct ring bond data 274: ok 2269 # correct ring bond data 274: ok 2270 # correct ring bond data 274: ok 2271 # correct ring bond data 274: ok 2272 # correct ring bond data 274: ok 2273 # correct ring bond data 274: ok 2274 # correct ring bond data 274: ok 2275 # correct ring bond data 274: ok 2276 # correct ring bond data 274: ok 2277 # correct ring bond data 274: ok 2278 # correct ring bond data 274: ok 2279 # correct ring bond data 274: ok 2280 # correct ring bond data 274: ok 2281 # correct ring bond data 274: ok 2282 # SSSR size matches reference 274: ok 2283 # correct SSSR count 274: ok 2284 # ring membership passed 274: ok 2285 # correct SSSR count 274: ok 2286 # ring membership passed 274: ok 2287 # correct SSSR count 274: ok 2288 # ring membership passed 274: ok 2289 # correct SSSR count 274: ok 2290 # ring membership passed 274: ok 2291 # correct SSSR count 274: ok 2292 # ring membership passed 274: ok 2293 # correct SSSR count 274: ok 2294 # ring membership passed 274: ok 2295 # correct SSSR count 274: ok 2296 # ring membership passed 274: ok 2297 # correct SSSR count 274: ok 2298 # ring membership passed 274: ok 2299 # correct SSSR count 274: ok 2300 # ring membership passed 274: ok 2301 # correct SSSR count 274: ok 2302 # ring membership passed 274: ok 2303 # correct SSSR count 274: ok 2304 # ring membership passed 274: ok 2305 # correct SSSR count 274: ok 2306 # ring membership passed 274: ok 2307 # correct SSSR count 274: ok 2308 # ring membership passed 274: ok 2309 # correct SSSR count 274: ok 2310 # ring membership passed 274: ok 2311 # correct SSSR count 274: ok 2312 # ring membership passed 274: ok 2313 # correct SSSR count 274: ok 2314 # ring membership passed 274: ok 2315 # correct SSSR count 274: ok 2316 # ring membership passed 274: ok 2317 # correct SSSR count 274: ok 2318 # ring membership passed 274: ok 2319 # correct SSSR count 274: ok 2320 # ring membership passed 274: ok 2321 # correct SSSR count 274: ok 2322 # ring membership passed 274: ok 2323 # correct SSSR count 274: ok 2324 # ring membership passed 274: ok 2325 # correct SSSR count 274: ok 2326 # ring membership passed 274: ok 2327 # correct SSSR count 274: ok 2328 # ring membership passed 274: ok 2329 # correct SSSR count 274: ok 2330 # ring membership passed 274: ok 2331 # correct SSSR count 274: ok 2332 # ring membership passed 274: ok 2333 # correct SSSR count 274: ok 2334 # ring membership passed 274: ok 2335 # correct ring bond data 274: ok 2336 # correct ring bond data 274: ok 2337 # correct ring bond data 274: ok 2338 # correct ring bond data 274: ok 2339 # correct ring bond data 274: ok 2340 # correct ring bond data 274: ok 2341 # correct ring bond data 274: ok 2342 # correct ring bond data 274: ok 2343 # correct ring bond data 274: ok 2344 # correct ring bond data 274: ok 2345 # correct ring bond data 274: ok 2346 # correct ring bond data 274: ok 2347 # correct ring bond data 274: ok 2348 # correct ring bond data 274: ok 2349 # correct ring bond data 274: ok 2350 # correct ring bond data 274: ok 2351 # correct ring bond data 274: ok 2352 # correct ring bond data 274: ok 2353 # correct ring bond data 274: ok 2354 # correct ring bond data 274: ok 2355 # SSSR size matches reference 274: ok 2356 # correct SSSR count 274: ok 2357 # ring membership passed 274: ok 2358 # correct SSSR count 274: ok 2359 # ring membership passed 274: ok 2360 # correct SSSR count 274: ok 2361 # ring membership passed 274: ok 2362 # correct SSSR count 274: ok 2363 # ring membership passed 274: ok 2364 # correct SSSR count 274: ok 2365 # ring membership passed 274: ok 2366 # correct SSSR count 274: ok 2367 # ring membership passed 274: ok 2368 # correct SSSR count 274: ok 2369 # ring membership passed 274: ok 2370 # correct SSSR count 274: ok 2371 # ring membership passed 274: ok 2372 # correct SSSR count 274: ok 2373 # ring membership passed 274: ok 2374 # correct SSSR count 274: ok 2375 # ring membership passed 274: ok 2376 # correct SSSR count 274: ok 2377 # ring membership passed 274: ok 2378 # correct SSSR count 274: ok 2379 # ring membership passed 274: ok 2380 # correct SSSR count 274: ok 2381 # ring membership passed 274: ok 2382 # correct SSSR count 274: ok 2383 # ring membership passed 274: ok 2384 # correct SSSR count 274: ok 2385 # ring membership passed 274: ok 2386 # correct SSSR count 274: ok 2387 # ring membership passed 274: ok 2388 # correct SSSR count 274: ok 2389 # ring membership passed 274: ok 2390 # correct SSSR count 274: ok 2391 # ring membership passed 274: ok 2392 # correct SSSR count 274: ok 2393 # ring membership passed 274: ok 2394 # correct ring bond data 274: ok 2395 # correct ring bond data 274: ok 2396 # correct ring bond data 274: ok 2397 # correct ring bond data 274: ok 2398 # correct ring bond data 274: ok 2399 # correct ring bond data 274: ok 2400 # correct ring bond data 274: ok 2401 # correct ring bond data 274: ok 2402 # correct ring bond data 274: ok 2403 # correct ring bond data 274: ok 2404 # correct ring bond data 274: ok 2405 # correct ring bond data 274: ok 2406 # correct ring bond data 274: ok 2407 # correct ring bond data 274: ok 2408 # correct ring bond data 274: ok 2409 # correct ring bond data 274: ok 2410 # correct ring bond data 274: ok 2411 # correct ring bond data 274: ok 2412 # correct ring bond data 274: ok 2413 # correct ring bond data 274: ok 2414 # SSSR size matches reference 274: ok 2415 # correct SSSR count 274: ok 2416 # ring membership passed 274: ok 2417 # correct SSSR count 274: ok 2418 # ring membership passed 274: ok 2419 # correct SSSR count 274: ok 2420 # ring membership passed 274: ok 2421 # correct SSSR count 274: ok 2422 # ring membership passed 274: ok 2423 # correct SSSR count 274: ok 2424 # ring membership passed 274: ok 2425 # correct SSSR count 274: ok 2426 # ring membership passed 274: ok 2427 # correct SSSR count 274: ok 2428 # ring membership passed 274: ok 2429 # correct SSSR count 274: ok 2430 # ring membership passed 274: ok 2431 # correct SSSR count 274: ok 2432 # ring membership passed 274: ok 2433 # correct SSSR count 274: ok 2434 # ring membership passed 274: ok 2435 # correct SSSR count 274: ok 2436 # ring membership passed 274: ok 2437 # correct SSSR count 274: ok 2438 # ring membership passed 274: ok 2439 # correct SSSR count 274: ok 2440 # ring membership passed 274: ok 2441 # correct SSSR count 274: ok 2442 # ring membership passed 274: ok 2443 # correct SSSR count 274: ok 2444 # ring membership passed 274: ok 2445 # correct SSSR count 274: ok 2446 # ring membership passed 274: ok 2447 # correct SSSR count 274: ok 2448 # ring membership passed 274: ok 2449 # correct SSSR count 274: ok 2450 # ring membership passed 274: ok 2451 # correct SSSR count 274: ok 2452 # ring membership passed 274: ok 2453 # correct ring bond data 274: ok 2454 # correct ring bond data 274: ok 2455 # correct ring bond data 274: ok 2456 # correct ring bond data 274: ok 2457 # correct ring bond data 274: ok 2458 # correct ring bond data 274: ok 2459 # correct ring bond data 274: ok 2460 # correct ring bond data 274: ok 2461 # correct ring bond data 274: ok 2462 # correct ring bond data 274: ok 2463 # correct ring bond data 274: ok 2464 # correct ring bond data 274: ok 2465 # correct ring bond data 274: ok 2466 # correct ring bond data 274: ok 2467 # correct ring bond data 274: ok 2468 # correct ring bond data 274: ok 2469 # correct ring bond data 274: ok 2470 # correct ring bond data 274: ok 2471 # correct ring bond data 274: ok 2472 # SSSR size matches reference 274: ok 2473 # correct SSSR count 274: ok 2474 # ring membership passed 274: ok 2475 # correct SSSR count 274: ok 2476 # ring membership passed 274: ok 2477 # correct SSSR count 274: ok 2478 # ring membership passed 274: ok 2479 # correct SSSR count 274: ok 2480 # ring membership passed 274: ok 2481 # correct SSSR count 274: ok 2482 # ring membership passed 274: ok 2483 # correct SSSR count 274: ok 2484 # ring membership passed 274: ok 2485 # correct SSSR count 274: ok 2486 # ring membership passed 274: ok 2487 # correct SSSR count 274: ok 2488 # ring membership passed 274: ok 2489 # correct SSSR count 274: ok 2490 # ring membership passed 274: ok 2491 # correct SSSR count 274: ok 2492 # ring membership passed 274: ok 2493 # correct SSSR count 274: ok 2494 # ring membership passed 274: ok 2495 # correct SSSR count 274: ok 2496 # ring membership passed 274: ok 2497 # correct SSSR count 274: ok 2498 # ring membership passed 274: ok 2499 # correct SSSR count 274: ok 2500 # ring membership passed 274: ok 2501 # correct SSSR count 274: ok 2502 # ring membership passed 274: ok 2503 # correct SSSR count 274: ok 2504 # ring membership passed 274: ok 2505 # correct SSSR count 274: ok 2506 # ring membership passed 274: ok 2507 # correct SSSR count 274: ok 2508 # ring membership passed 274: ok 2509 # correct ring bond data 274: ok 2510 # correct ring bond data 274: ok 2511 # correct ring bond data 274: ok 2512 # correct ring bond data 274: ok 2513 # correct ring bond data 274: ok 2514 # correct ring bond data 274: ok 2515 # correct ring bond data 274: ok 2516 # correct ring bond data 274: ok 2517 # correct ring bond data 274: ok 2518 # correct ring bond data 274: ok 2519 # correct ring bond data 274: ok 2520 # correct ring bond data 274: ok 2521 # correct ring bond data 274: ok 2522 # correct ring bond data 274: ok 2523 # correct ring bond data 274: ok 2524 # correct ring bond data 274: ok 2525 # SSSR size matches reference 274: ok 2526 # correct SSSR count 274: ok 2527 # ring membership passed 274: ok 2528 # correct SSSR count 274: ok 2529 # ring membership passed 274: ok 2530 # correct SSSR count 274: ok 2531 # ring membership passed 274: ok 2532 # correct SSSR count 274: ok 2533 # ring membership passed 274: ok 2534 # correct SSSR count 274: ok 2535 # ring membership passed 274: ok 2536 # correct SSSR count 274: ok 2537 # ring membership passed 274: ok 2538 # correct SSSR count 274: ok 2539 # ring membership passed 274: ok 2540 # correct SSSR count 274: ok 2541 # ring membership passed 274: ok 2542 # correct SSSR count 274: ok 2543 # ring membership passed 274: ok 2544 # correct SSSR count 274: ok 2545 # ring membership passed 274: ok 2546 # correct SSSR count 274: ok 2547 # ring membership passed 274: ok 2548 # correct SSSR count 274: ok 2549 # ring membership passed 274: ok 2550 # correct SSSR count 274: ok 2551 # ring membership passed 274: ok 2552 # correct SSSR count 274: ok 2553 # ring membership passed 274: ok 2554 # correct SSSR count 274: ok 2555 # ring membership passed 274: ok 2556 # correct ring bond data 274: ok 2557 # correct ring bond data 274: ok 2558 # correct ring bond data 274: ok 2559 # correct ring bond data 274: ok 2560 # correct ring bond data 274: ok 2561 # correct ring bond data 274: ok 2562 # correct ring bond data 274: ok 2563 # correct ring bond data 274: ok 2564 # correct ring bond data 274: ok 2565 # correct ring bond data 274: ok 2566 # correct ring bond data 274: ok 2567 # correct ring bond data 274: ok 2568 # correct ring bond data 274: ok 2569 # correct ring bond data 274: ok 2570 # correct ring bond data 274: ok 2571 # correct ring bond data 274: ok 2572 # SSSR size matches reference 274: ok 2573 # correct SSSR count 274: ok 2574 # ring membership passed 274: ok 2575 # correct SSSR count 274: ok 2576 # ring membership passed 274: ok 2577 # correct SSSR count 274: ok 2578 # ring membership passed 274: ok 2579 # correct SSSR count 274: ok 2580 # ring membership passed 274: ok 2581 # correct SSSR count 274: ok 2582 # ring membership passed 274: ok 2583 # correct SSSR count 274: ok 2584 # ring membership passed 274: ok 2585 # correct SSSR count 274: ok 2586 # ring membership passed 274: ok 2587 # correct SSSR count 274: ok 2588 # ring membership passed 274: ok 2589 # correct SSSR count 274: ok 2590 # ring membership passed 274: ok 2591 # correct SSSR count 274: ok 2592 # ring membership passed 274: ok 2593 # correct SSSR count 274: ok 2594 # ring membership passed 274: ok 2595 # correct SSSR count 274: ok 2596 # ring membership passed 274: ok 2597 # correct SSSR count 274: ok 2598 # ring membership passed 274: ok 2599 # correct SSSR count 274: ok 2600 # ring membership passed 274: ok 2601 # correct SSSR count 274: ok 2602 # ring membership passed 274: ok 2603 # correct ring bond data 274: ok 2604 # correct ring bond data 274: ok 2605 # correct ring bond data 274: ok 2606 # correct ring bond data 274: ok 2607 # correct ring bond data 274: ok 2608 # correct ring bond data 274: ok 2609 # correct ring bond data 274: ok 2610 # correct ring bond data 274: ok 2611 # correct ring bond data 274: ok 2612 # correct ring bond data 274: ok 2613 # correct ring bond data 274: ok 2614 # correct ring bond data 274: ok 2615 # correct ring bond data 274: ok 2616 # correct ring bond data 274: ok 2617 # correct ring bond data 274: ok 2618 # correct ring bond data 274: ok 2619 # correct ring bond data 274: ok 2620 # correct ring bond data 274: ok 2621 # correct ring bond data 274: ok 2622 # SSSR size matches reference 274: ok 2623 # correct SSSR count 274: ok 2624 # ring membership passed 274: ok 2625 # correct SSSR count 274: ok 2626 # ring membership passed 274: ok 2627 # correct SSSR count 274: ok 2628 # ring membership passed 274: ok 2629 # correct SSSR count 274: ok 2630 # ring membership passed 274: ok 2631 # correct SSSR count 274: ok 2632 # ring membership passed 274: ok 2633 # correct SSSR count 274: ok 2634 # ring membership passed 274: ok 2635 # correct SSSR count 274: ok 2636 # ring membership passed 274: ok 2637 # correct SSSR count 274: ok 2638 # ring membership passed 274: ok 2639 # correct SSSR count 274: ok 2640 # ring membership passed 274: ok 2641 # correct SSSR count 274: ok 2642 # ring membership passed 274: ok 2643 # correct SSSR count 274: ok 2644 # ring membership passed 274: ok 2645 # correct SSSR count 274: ok 2646 # ring membership passed 274: ok 2647 # correct SSSR count 274: ok 2648 # ring membership passed 274: ok 2649 # correct SSSR count 274: ok 2650 # ring membership passed 274: ok 2651 # correct SSSR count 274: ok 2652 # ring membership passed 274: ok 2653 # correct SSSR count 274: ok 2654 # ring membership passed 274: ok 2655 # correct SSSR count 274: ok 2656 # ring membership passed 274: ok 2657 # correct SSSR count 274: ok 2658 # ring membership passed 274: ok 2659 # correct ring bond data 274: ok 2660 # correct ring bond data 274: ok 2661 # correct ring bond data 274: ok 2662 # correct ring bond data 274: ok 2663 # correct ring bond data 274: ok 2664 # correct ring bond data 274: ok 2665 # correct ring bond data 274: ok 2666 # correct ring bond data 274: ok 2667 # correct ring bond data 274: ok 2668 # correct ring bond data 274: ok 2669 # correct ring bond data 274: ok 2670 # correct ring bond data 274: ok 2671 # correct ring bond data 274: ok 2672 # correct ring bond data 274: ok 2673 # correct ring bond data 274: ok 2674 # correct ring bond data 274: ok 2675 # correct ring bond data 274: ok 2676 # correct ring bond data 274: ok 2677 # correct ring bond data 274: ok 2678 # correct ring bond data 274: ok 2679 # SSSR size matches reference 274: ok 2680 # correct SSSR count 274: ok 2681 # ring membership passed 274: ok 2682 # correct SSSR count 274: ok 2683 # ring membership passed 274: ok 2684 # correct SSSR count 274: ok 2685 # ring membership passed 274: ok 2686 # correct SSSR count 274: ok 2687 # ring membership passed 274: ok 2688 # correct SSSR count 274: ok 2689 # ring membership passed 274: ok 2690 # correct SSSR count 274: ok 2691 # ring membership passed 274: ok 2692 # correct SSSR count 274: ok 2693 # ring membership passed 274: ok 2694 # correct SSSR count 274: ok 2695 # ring membership passed 274: ok 2696 # correct SSSR count 274: ok 2697 # ring membership passed 274: ok 2698 # correct SSSR count 274: ok 2699 # ring membership passed 274: ok 2700 # correct SSSR count 274: ok 2701 # ring membership passed 274: ok 2702 # correct SSSR count 274: ok 2703 # ring membership passed 274: ok 2704 # correct SSSR count 274: ok 2705 # ring membership passed 274: ok 2706 # correct SSSR count 274: ok 2707 # ring membership passed 274: ok 2708 # correct SSSR count 274: ok 2709 # ring membership passed 274: ok 2710 # correct SSSR count 274: ok 2711 # ring membership passed 274: ok 2712 # correct SSSR count 274: ok 2713 # ring membership passed 274: ok 2714 # correct SSSR count 274: ok 2715 # ring membership passed 274: ok 2716 # correct SSSR count 274: ok 2717 # ring membership passed 274: ok 2718 # correct SSSR count 274: ok 2719 # ring membership passed 274: ok 2720 # correct ring bond data 274: ok 2721 # correct ring bond data 274: ok 2722 # correct ring bond data 274: ok 2723 # correct ring bond data 274: ok 2724 # correct ring bond data 274: ok 2725 # correct ring bond data 274: ok 2726 # correct ring bond data 274: ok 2727 # correct ring bond data 274: ok 2728 # correct ring bond data 274: ok 2729 # correct ring bond data 274: ok 2730 # correct ring bond data 274: ok 2731 # correct ring bond data 274: ok 2732 # correct ring bond data 274: ok 2733 # correct ring bond data 274: ok 2734 # correct ring bond data 274: ok 2735 # SSSR size matches reference 274: ok 2736 # correct SSSR count 274: ok 2737 # ring membership passed 274: ok 2738 # correct SSSR count 274: ok 2739 # ring membership passed 274: ok 2740 # correct SSSR count 274: ok 2741 # ring membership passed 274: ok 2742 # correct SSSR count 274: ok 2743 # ring membership passed 274: ok 2744 # correct SSSR count 274: ok 2745 # ring membership passed 274: ok 2746 # correct SSSR count 274: ok 2747 # ring membership passed 274: ok 2748 # correct SSSR count 274: ok 2749 # ring membership passed 274: ok 2750 # correct SSSR count 274: ok 2751 # ring membership passed 274: ok 2752 # correct SSSR count 274: ok 2753 # ring membership passed 274: ok 2754 # correct SSSR count 274: ok 2755 # ring membership passed 274: ok 2756 # correct SSSR count 274: ok 2757 # ring membership passed 274: ok 2758 # correct SSSR count 274: ok 2759 # ring membership passed 274: ok 2760 # correct SSSR count 274: ok 2761 # ring membership passed 274: ok 2762 # correct SSSR count 274: ok 2763 # ring membership passed 274: ok 2764 # correct ring bond data 274: ok 2765 # correct ring bond data 274: ok 2766 # correct ring bond data 274: ok 2767 # correct ring bond data 274: ok 2768 # correct ring bond data 274: ok 2769 # correct ring bond data 274: ok 2770 # correct ring bond data 274: ok 2771 # correct ring bond data 274: ok 2772 # correct ring bond data 274: ok 2773 # correct ring bond data 274: ok 2774 # correct ring bond data 274: ok 2775 # correct ring bond data 274: ok 2776 # correct ring bond data 274: ok 2777 # correct ring bond data 274: ok 2778 # correct ring bond data 274: ok 2779 # correct ring bond data 274: ok 2780 # correct ring bond data 274: ok 2781 # correct ring bond data 274: ok 2782 # correct ring bond data 274: ok 2783 # correct ring bond data 274: ok 2784 # correct ring bond data 274: ok 2785 # correct ring bond data 274: ok 2786 # SSSR size matches reference 274: ok 2787 # correct SSSR count 274: ok 2788 # ring membership passed 274: ok 2789 # correct SSSR count 274: ok 2790 # ring membership passed 274: ok 2791 # correct SSSR count 274: ok 2792 # ring membership passed 274: ok 2793 # correct SSSR count 274: ok 2794 # ring membership passed 274: ok 2795 # correct SSSR count 274: ok 2796 # ring membership passed 274: ok 2797 # correct SSSR count 274: ok 2798 # ring membership passed 274: ok 2799 # correct SSSR count 274: ok 2800 # ring membership passed 274: ok 2801 # correct SSSR count 274: ok 2802 # ring membership passed 274: ok 2803 # correct SSSR count 274: ok 2804 # ring membership passed 274: ok 2805 # correct SSSR count 274: ok 2806 # ring membership passed 274: ok 2807 # correct SSSR count 274: ok 2808 # ring membership passed 274: ok 2809 # correct SSSR count 274: ok 2810 # ring membership passed 274: ok 2811 # correct SSSR count 274: ok 2812 # ring membership passed 274: ok 2813 # correct SSSR count 274: ok 2814 # ring membership passed 274: ok 2815 # correct SSSR count 274: ok 2816 # ring membership passed 274: ok 2817 # correct SSSR count 274: ok 2818 # ring membership passed 274: ok 2819 # correct SSSR count 274: ok 2820 # ring membership passed 274: ok 2821 # correct SSSR count 274: ok 2822 # ring membership passed 274: ok 2823 # correct SSSR count 274: ok 2824 # ring membership passed 274: ok 2825 # correct SSSR count 274: ok 2826 # ring membership passed 274: ok 2827 # correct ring bond data 274: ok 2828 # correct ring bond data 274: ok 2829 # correct ring bond data 274: ok 2830 # correct ring bond data 274: ok 2831 # correct ring bond data 274: ok 2832 # correct ring bond data 274: ok 2833 # correct ring bond data 274: ok 2834 # correct ring bond data 274: ok 2835 # correct ring bond data 274: ok 2836 # correct ring bond data 274: ok 2837 # correct ring bond data 274: ok 2838 # correct ring bond data 274: ok 2839 # correct ring bond data 274: ok 2840 # correct ring bond data 274: ok 2841 # correct ring bond data 274: ok 2842 # correct ring bond data 274: ok 2843 # correct ring bond data 274: ok 2844 # correct ring bond data 274: ok 2845 # correct ring bond data 274: ok 2846 # correct ring bond data 274: ok 2847 # correct ring bond data 274: ok 2848 # correct ring bond data 274: ok 2849 # SSSR size matches reference 274: ok 2850 # correct SSSR count 274: ok 2851 # ring membership passed 274: ok 2852 # correct SSSR count 274: ok 2853 # ring membership passed 274: ok 2854 # correct SSSR count 274: ok 2855 # ring membership passed 274: ok 2856 # correct SSSR count 274: ok 2857 # ring membership passed 274: ok 2858 # correct SSSR count 274: ok 2859 # ring membership passed 274: ok 2860 # correct SSSR count 274: ok 2861 # ring membership passed 274: ok 2862 # correct SSSR count 274: ok 2863 # ring membership passed 274: ok 2864 # correct SSSR count 274: ok 2865 # ring membership passed 274: ok 2866 # correct SSSR count 274: ok 2867 # ring membership passed 274: ok 2868 # correct SSSR count 274: ok 2869 # ring membership passed 274: ok 2870 # correct SSSR count 274: ok 2871 # ring membership passed 274: ok 2872 # correct SSSR count 274: ok 2873 # ring membership passed 274: ok 2874 # correct SSSR count 274: ok 2875 # ring membership passed 274: ok 2876 # correct SSSR count 274: ok 2877 # ring membership passed 274: ok 2878 # correct SSSR count 274: ok 2879 # ring membership passed 274: ok 2880 # correct SSSR count 274: ok 2881 # ring membership passed 274: ok 2882 # correct SSSR count 274: ok 2883 # ring membership passed 274: ok 2884 # correct SSSR count 274: ok 2885 # ring membership passed 274: ok 2886 # correct SSSR count 274: ok 2887 # ring membership passed 274: ok 2888 # correct SSSR count 274: ok 2889 # ring membership passed 274: ok 2890 # correct ring bond data 274: ok 2891 # correct ring bond data 274: ok 2892 # correct ring bond data 274: ok 2893 # correct ring bond data 274: ok 2894 # correct ring bond data 274: ok 2895 # correct ring bond data 274: ok 2896 # correct ring bond data 274: ok 2897 # correct ring bond data 274: ok 2898 # correct ring bond data 274: ok 2899 # correct ring bond data 274: ok 2900 # correct ring bond data 274: ok 2901 # correct ring bond data 274: ok 2902 # correct ring bond data 274: ok 2903 # correct ring bond data 274: ok 2904 # correct ring bond data 274: ok 2905 # correct ring bond data 274: ok 2906 # SSSR size matches reference 274: ok 2907 # correct SSSR count 274: ok 2908 # ring membership passed 274: ok 2909 # correct SSSR count 274: ok 2910 # ring membership passed 274: ok 2911 # correct SSSR count 274: ok 2912 # ring membership passed 274: ok 2913 # correct SSSR count 274: ok 2914 # ring membership passed 274: ok 2915 # correct SSSR count 274: ok 2916 # ring membership passed 274: ok 2917 # correct SSSR count 274: ok 2918 # ring membership passed 274: ok 2919 # correct SSSR count 274: ok 2920 # ring membership passed 274: ok 2921 # correct SSSR count 274: ok 2922 # ring membership passed 274: ok 2923 # correct SSSR count 274: ok 2924 # ring membership passed 274: ok 2925 # correct SSSR count 274: ok 2926 # ring membership passed 274: ok 2927 # correct SSSR count 274: ok 2928 # ring membership passed 274: ok 2929 # correct SSSR count 274: ok 2930 # ring membership passed 274: ok 2931 # correct SSSR count 274: ok 2932 # ring membership passed 274: ok 2933 # correct SSSR count 274: ok 2934 # ring membership passed 274: ok 2935 # correct SSSR count 274: ok 2936 # ring membership passed 274: ok 2937 # correct ring bond data 274: ok 2938 # correct ring bond data 274: ok 2939 # correct ring bond data 274: ok 2940 # correct ring bond data 274: ok 2941 # correct ring bond data 274: ok 2942 # correct ring bond data 274: ok 2943 # correct ring bond data 274: ok 2944 # correct ring bond data 274: ok 2945 # correct ring bond data 274: ok 2946 # correct ring bond data 274: ok 2947 # correct ring bond data 274: ok 2948 # correct ring bond data 274: ok 2949 # correct ring bond data 274: ok 2950 # correct ring bond data 274: ok 2951 # correct ring bond data 274: ok 2952 # correct ring bond data 274: ok 2953 # correct ring bond data 274: ok 2954 # correct ring bond data 274: ok 2955 # correct ring bond data 274: ok 2956 # correct ring bond data 274: ok 2957 # SSSR size matches reference 274: ok 2958 # correct SSSR count 274: ok 2959 # ring membership passed 274: ok 2960 # correct SSSR count 274: ok 2961 # ring membership passed 274: ok 2962 # correct SSSR count 274: ok 2963 # ring membership passed 274: ok 2964 # correct SSSR count 274: ok 2965 # ring membership passed 274: ok 2966 # correct SSSR count 274: ok 2967 # ring membership passed 274: ok 2968 # correct SSSR count 274: ok 2969 # ring membership passed 274: ok 2970 # correct SSSR count 274: ok 2971 # ring membership passed 274: ok 2972 # correct SSSR count 274: ok 2973 # ring membership passed 274: ok 2974 # correct SSSR count 274: ok 2975 # ring membership passed 274: ok 2976 # correct SSSR count 274: ok 2977 # ring membership passed 274: ok 2978 # correct SSSR count 274: ok 2979 # ring membership passed 274: ok 2980 # correct SSSR count 274: ok 2981 # ring membership passed 274: ok 2982 # correct SSSR count 274: ok 2983 # ring membership passed 274: ok 2984 # correct SSSR count 274: ok 2985 # ring membership passed 274: ok 2986 # correct SSSR count 274: ok 2987 # ring membership passed 274: ok 2988 # correct SSSR count 274: ok 2989 # ring membership passed 274: ok 2990 # correct SSSR count 274: ok 2991 # ring membership passed 274: ok 2992 # correct SSSR count 274: ok 2993 # ring membership passed 274: ok 2994 # correct SSSR count 274: ok 2995 # ring membership passed 274: ok 2996 # correct SSSR count 274: ok 2997 # ring membership passed 274: ok 2998 # correct ring bond data 274: ok 2999 # correct ring bond data 274: ok 3000 # correct ring bond data 274: ok 3001 # correct ring bond data 274: ok 3002 # correct ring bond data 274: ok 3003 # correct ring bond data 274: ok 3004 # correct ring bond data 274: ok 3005 # correct ring bond data 274: ok 3006 # correct ring bond data 274: ok 3007 # correct ring bond data 274: ok 3008 # correct ring bond data 274: ok 3009 # correct ring bond data 274: ok 3010 # correct ring bond data 274: ok 3011 # correct ring bond data 274: ok 3012 # correct ring bond data 274: ok 3013 # correct ring bond data 274: ok 3014 # correct ring bond data 274: ok 3015 # correct ring bond data 274: ok 3016 # correct ring bond data 274: ok 3017 # correct ring bond data 274: ok 3018 # correct ring bond data 274: ok 3019 # correct ring bond data 274: ok 3020 # correct ring bond data 274: ok 3021 # correct ring bond data 274: ok 3022 # SSSR size matches reference 274: ok 3023 # correct SSSR count 274: ok 3024 # ring membership passed 274: ok 3025 # correct SSSR count 274: ok 3026 # ring membership passed 274: ok 3027 # correct SSSR count 274: ok 3028 # ring membership passed 274: ok 3029 # correct SSSR count 274: ok 3030 # ring membership passed 274: ok 3031 # correct SSSR count 274: ok 3032 # ring membership passed 274: ok 3033 # correct SSSR count 274: ok 3034 # ring membership passed 274: ok 3035 # correct SSSR count 274: ok 3036 # ring membership passed 274: ok 3037 # correct SSSR count 274: ok 3038 # ring membership passed 274: ok 3039 # correct SSSR count 274: ok 3040 # ring membership passed 274: ok 3041 # correct SSSR count 274: ok 3042 # ring membership passed 274: ok 3043 # correct SSSR count 274: ok 3044 # ring membership passed 274: ok 3045 # correct SSSR count 274: ok 3046 # ring membership passed 274: ok 3047 # correct SSSR count 274: ok 3048 # ring membership passed 274: ok 3049 # correct SSSR count 274: ok 3050 # ring membership passed 274: ok 3051 # correct SSSR count 274: ok 3052 # ring membership passed 274: ok 3053 # correct SSSR count 274: ok 3054 # ring membership passed 274: ok 3055 # correct SSSR count 274: ok 3056 # ring membership passed 274: ok 3057 # correct SSSR count 274: ok 3058 # ring membership passed 274: ok 3059 # correct SSSR count 274: ok 3060 # ring membership passed 274: ok 3061 # correct SSSR count 274: ok 3062 # ring membership passed 274: ok 3063 # correct SSSR count 274: ok 3064 # ring membership passed 274: ok 3065 # correct ring bond data 274: ok 3066 # correct ring bond data 274: ok 3067 # correct ring bond data 274: ok 3068 # correct ring bond data 274: ok 3069 # correct ring bond data 274: ok 3070 # correct ring bond data 274: ok 3071 # correct ring bond data 274: ok 3072 # correct ring bond data 274: ok 3073 # correct ring bond data 274: ok 3074 # correct ring bond data 274: ok 3075 # correct ring bond data 274: ok 3076 # correct ring bond data 274: ok 3077 # correct ring bond data 274: ok 3078 # correct ring bond data 274: ok 3079 # correct ring bond data 274: ok 3080 # correct ring bond data 274: ok 3081 # correct ring bond data 274: ok 3082 # correct ring bond data 274: ok 3083 # correct ring bond data 274: ok 3084 # correct ring bond data 274: ok 3085 # correct ring bond data 274: ok 3086 # correct ring bond data 274: ok 3087 # correct ring bond data 274: ok 3088 # correct ring bond data 274: ok 3089 # correct ring bond data 274: ok 3090 # correct ring bond data 274: ok 3091 # correct ring bond data 274: ok 3092 # correct ring bond data 274: ok 3093 # correct ring bond data 274: ok 3094 # correct ring bond data 274: ok 3095 # correct ring bond data 274: ok 3096 # SSSR size matches reference 274: ok 3097 # correct SSSR count 274: ok 3098 # ring membership passed 274: ok 3099 # correct SSSR count 274: ok 3100 # ring membership passed 274: ok 3101 # correct SSSR count 274: ok 3102 # ring membership passed 274: ok 3103 # correct SSSR count 274: ok 3104 # ring membership passed 274: ok 3105 # correct SSSR count 274: ok 3106 # ring membership passed 274: ok 3107 # correct SSSR count 274: ok 3108 # ring membership passed 274: ok 3109 # correct SSSR count 274: ok 3110 # ring membership passed 274: ok 3111 # correct SSSR count 274: ok 3112 # ring membership passed 274: ok 3113 # correct SSSR count 274: ok 3114 # ring membership passed 274: ok 3115 # correct SSSR count 274: ok 3116 # ring membership passed 274: ok 3117 # correct SSSR count 274: ok 3118 # ring membership passed 274: ok 3119 # correct SSSR count 274: ok 3120 # ring membership passed 274: ok 3121 # correct SSSR count 274: ok 3122 # ring membership passed 274: ok 3123 # correct SSSR count 274: ok 3124 # ring membership passed 274: ok 3125 # correct SSSR count 274: ok 3126 # ring membership passed 274: ok 3127 # correct SSSR count 274: ok 3128 # ring membership passed 274: ok 3129 # correct SSSR count 274: ok 3130 # ring membership passed 274: ok 3131 # correct SSSR count 274: ok 3132 # ring membership passed 274: ok 3133 # correct SSSR count 274: ok 3134 # ring membership passed 274: ok 3135 # correct SSSR count 274: ok 3136 # ring membership passed 274: ok 3137 # correct SSSR count 274: ok 3138 # ring membership passed 274: ok 3139 # correct SSSR count 274: ok 3140 # ring membership passed 274: ok 3141 # correct SSSR count 274: ok 3142 # ring membership passed 274: ok 3143 # correct SSSR count 274: ok 3144 # ring membership passed 274: ok 3145 # correct SSSR count 274: ok 3146 # ring membership passed 274: ok 3147 # correct SSSR count 274: ok 3148 # ring membership passed 274: ok 3149 # correct SSSR count 274: ok 3150 # ring membership passed 274: ok 3151 # correct ring bond data 274: ok 3152 # correct ring bond data 274: ok 3153 # correct ring bond data 274: ok 3154 # correct ring bond data 274: ok 3155 # correct ring bond data 274: ok 3156 # correct ring bond data 274: ok 3157 # correct ring bond data 274: ok 3158 # correct ring bond data 274: ok 3159 # correct ring bond data 274: ok 3160 # correct ring bond data 274: ok 3161 # correct ring bond data 274: ok 3162 # correct ring bond data 274: ok 3163 # correct ring bond data 274: ok 3164 # correct ring bond data 274: ok 3165 # correct ring bond data 274: ok 3166 # SSSR size matches reference 274: ok 3167 # correct SSSR count 274: ok 3168 # ring membership passed 274: ok 3169 # correct SSSR count 274: ok 3170 # ring membership passed 274: ok 3171 # correct SSSR count 274: ok 3172 # ring membership passed 274: ok 3173 # correct SSSR count 274: ok 3174 # ring membership passed 274: ok 3175 # correct SSSR count 274: ok 3176 # ring membership passed 274: ok 3177 # correct SSSR count 274: ok 3178 # ring membership passed 274: ok 3179 # correct SSSR count 274: ok 3180 # ring membership passed 274: ok 3181 # correct SSSR count 274: ok 3182 # ring membership passed 274: ok 3183 # correct SSSR count 274: ok 3184 # ring membership passed 274: ok 3185 # correct SSSR count 274: ok 3186 # ring membership passed 274: ok 3187 # correct SSSR count 274: ok 3188 # ring membership passed 274: ok 3189 # correct SSSR count 274: ok 3190 # ring membership passed 274: ok 3191 # correct SSSR count 274: ok 3192 # ring membership passed 274: ok 3193 # correct SSSR count 274: ok 3194 # ring membership passed 274: ok 3195 # correct ring bond data 274: ok 3196 # correct ring bond data 274: ok 3197 # correct ring bond data 274: ok 3198 # correct ring bond data 274: ok 3199 # correct ring bond data 274: ok 3200 # correct ring bond data 274: ok 3201 # correct ring bond data 274: ok 3202 # correct ring bond data 274: ok 3203 # correct ring bond data 274: ok 3204 # correct ring bond data 274: ok 3205 # correct ring bond data 274: ok 3206 # correct ring bond data 274: ok 3207 # correct ring bond data 274: ok 3208 # correct ring bond data 274: ok 3209 # correct ring bond data 274: ok 3210 # correct ring bond data 274: ok 3211 # correct ring bond data 274: ok 3212 # correct ring bond data 274: ok 3213 # correct ring bond data 274: ok 3214 # correct ring bond data 274: ok 3215 # SSSR size matches reference 274: ok 3216 # correct SSSR count 274: ok 3217 # ring membership passed 274: ok 3218 # correct SSSR count 274: ok 3219 # ring membership passed 274: ok 3220 # correct SSSR count 274: ok 3221 # ring membership passed 274: ok 3222 # correct SSSR count 274: ok 3223 # ring membership passed 274: ok 3224 # correct SSSR count 274: ok 3225 # ring membership passed 274: ok 3226 # correct SSSR count 274: ok 3227 # ring membership passed 274: ok 3228 # correct SSSR count 274: ok 3229 # ring membership passed 274: ok 3230 # correct SSSR count 274: ok 3231 # ring membership passed 274: ok 3232 # correct SSSR count 274: ok 3233 # ring membership passed 274: ok 3234 # correct SSSR count 274: ok 3235 # ring membership passed 274: ok 3236 # correct SSSR count 274: ok 3237 # ring membership passed 274: ok 3238 # correct SSSR count 274: ok 3239 # ring membership passed 274: ok 3240 # correct SSSR count 274: ok 3241 # ring membership passed 274: ok 3242 # correct SSSR count 274: ok 3243 # ring membership passed 274: ok 3244 # correct SSSR count 274: ok 3245 # ring membership passed 274: ok 3246 # correct SSSR count 274: ok 3247 # ring membership passed 274: ok 3248 # correct SSSR count 274: ok 3249 # ring membership passed 274: ok 3250 # correct SSSR count 274: ok 3251 # ring membership passed 274: ok 3252 # correct SSSR count 274: ok 3253 # ring membership passed 274: ok 3254 # correct ring bond data 274: ok 3255 # correct ring bond data 274: ok 3256 # correct ring bond data 274: ok 3257 # correct ring bond data 274: ok 3258 # correct ring bond data 274: ok 3259 # correct ring bond data 274: ok 3260 # correct ring bond data 274: ok 3261 # correct ring bond data 274: ok 3262 # correct ring bond data 274: ok 3263 # correct ring bond data 274: ok 3264 # correct ring bond data 274: ok 3265 # correct ring bond data 274: ok 3266 # correct ring bond data 274: ok 3267 # correct ring bond data 274: ok 3268 # correct ring bond data 274: ok 3269 # correct ring bond data 274: ok 3270 # correct ring bond data 274: ok 3271 # correct ring bond data 274: ok 3272 # correct ring bond data 274: ok 3273 # correct ring bond data 274: ok 3274 # correct ring bond data 274: ok 3275 # SSSR size matches reference 274: ok 3276 # correct SSSR count 274: ok 3277 # ring membership passed 274: ok 3278 # correct SSSR count 274: ok 3279 # ring membership passed 274: ok 3280 # correct SSSR count 274: ok 3281 # ring membership passed 274: ok 3282 # correct SSSR count 274: ok 3283 # ring membership passed 274: ok 3284 # correct SSSR count 274: ok 3285 # ring membership passed 274: ok 3286 # correct SSSR count 274: ok 3287 # ring membership passed 274: ok 3288 # correct SSSR count 274: ok 3289 # ring membership passed 274: ok 3290 # correct SSSR count 274: ok 3291 # ring membership passed 274: ok 3292 # correct SSSR count 274: ok 3293 # ring membership passed 274: ok 3294 # correct SSSR count 274: ok 3295 # ring membership passed 274: ok 3296 # correct SSSR count 274: ok 3297 # ring membership passed 274: ok 3298 # correct SSSR count 274: ok 3299 # ring membership passed 274: ok 3300 # correct SSSR count 274: ok 3301 # ring membership passed 274: ok 3302 # correct SSSR count 274: ok 3303 # ring membership passed 274: ok 3304 # correct SSSR count 274: ok 3305 # ring membership passed 274: ok 3306 # correct SSSR count 274: ok 3307 # ring membership passed 274: ok 3308 # correct SSSR count 274: ok 3309 # ring membership passed 274: ok 3310 # correct SSSR count 274: ok 3311 # ring membership passed 274: ok 3312 # correct SSSR count 274: ok 3313 # ring membership passed 274: ok 3314 # correct SSSR count 274: ok 3315 # ring membership passed 274: ok 3316 # correct ring bond data 274: ok 3317 # correct ring bond data 274: ok 3318 # correct ring bond data 274: ok 3319 # correct ring bond data 274: ok 3320 # correct ring bond data 274: ok 3321 # correct ring bond data 274: ok 3322 # correct ring bond data 274: ok 3323 # correct ring bond data 274: ok 3324 # correct ring bond data 274: ok 3325 # correct ring bond data 274: ok 3326 # correct ring bond data 274: ok 3327 # correct ring bond data 274: ok 3328 # correct ring bond data 274: ok 3329 # correct ring bond data 274: ok 3330 # correct ring bond data 274: ok 3331 # correct ring bond data 274: ok 3332 # correct ring bond data 274: ok 3333 # correct ring bond data 274: ok 3334 # correct ring bond data 274: ok 3335 # correct ring bond data 274: ok 3336 # correct ring bond data 274: ok 3337 # correct ring bond data 274: ok 3338 # SSSR size matches reference 274: ok 3339 # correct SSSR count 274: ok 3340 # ring membership passed 274: ok 3341 # correct SSSR count 274: ok 3342 # ring membership passed 274: ok 3343 # correct SSSR count 274: ok 3344 # ring membership passed 274: ok 3345 # correct SSSR count 274: ok 3346 # ring membership passed 274: ok 3347 # correct SSSR count 274: ok 3348 # ring membership passed 274: ok 3349 # correct SSSR count 274: ok 3350 # ring membership passed 274: ok 3351 # correct SSSR count 274: ok 3352 # ring membership passed 274: ok 3353 # correct SSSR count 274: ok 3354 # ring membership passed 274: ok 3355 # correct SSSR count 274: ok 3356 # ring membership passed 274: ok 3357 # correct SSSR count 274: ok 3358 # ring membership passed 274: ok 3359 # correct SSSR count 274: ok 3360 # ring membership passed 274: ok 3361 # correct SSSR count 274: ok 3362 # ring membership passed 274: ok 3363 # correct SSSR count 274: ok 3364 # ring membership passed 274: ok 3365 # correct SSSR count 274: ok 3366 # ring membership passed 274: ok 3367 # correct SSSR count 274: ok 3368 # ring membership passed 274: ok 3369 # correct SSSR count 274: ok 3370 # ring membership passed 274: ok 3371 # correct SSSR count 274: ok 3372 # ring membership passed 274: ok 3373 # correct SSSR count 274: ok 3374 # ring membership passed 274: ok 3375 # correct SSSR count 274: ok 3376 # ring membership passed 274: ok 3377 # correct SSSR count 274: ok 3378 # ring membership passed 274: ok 3379 # correct SSSR count 274: ok 3380 # ring membership passed 274: ok 3381 # correct SSSR count 274: ok 3382 # ring membership passed 274: ok 3383 # correct ring bond data 274: ok 3384 # correct ring bond data 274: ok 3385 # correct ring bond data 274: ok 3386 # correct ring bond data 274: ok 3387 # correct ring bond data 274: ok 3388 # correct ring bond data 274: ok 3389 # correct ring bond data 274: ok 3390 # correct ring bond data 274: ok 3391 # correct ring bond data 274: ok 3392 # correct ring bond data 274: ok 3393 # correct ring bond data 274: ok 3394 # correct ring bond data 274: ok 3395 # correct ring bond data 274: ok 3396 # correct ring bond data 274: ok 3397 # correct ring bond data 274: ok 3398 # correct ring bond data 274: ok 3399 # correct ring bond data 274: ok 3400 # correct ring bond data 274: ok 3401 # correct ring bond data 274: ok 3402 # correct ring bond data 274: ok 3403 # SSSR size matches reference 274: ok 3404 # correct SSSR count 274: ok 3405 # ring membership passed 274: ok 3406 # correct SSSR count 274: ok 3407 # ring membership passed 274: ok 3408 # correct SSSR count 274: ok 3409 # ring membership passed 274: ok 3410 # correct SSSR count 274: ok 3411 # ring membership passed 274: ok 3412 # correct SSSR count 274: ok 3413 # ring membership passed 274: ok 3414 # correct SSSR count 274: ok 3415 # ring membership passed 274: ok 3416 # correct SSSR count 274: ok 3417 # ring membership passed 274: ok 3418 # correct SSSR count 274: ok 3419 # ring membership passed 274: ok 3420 # correct SSSR count 274: ok 3421 # ring membership passed 274: ok 3422 # correct SSSR count 274: ok 3423 # ring membership passed 274: ok 3424 # correct SSSR count 274: ok 3425 # ring membership passed 274: ok 3426 # correct SSSR count 274: ok 3427 # ring membership passed 274: ok 3428 # correct SSSR count 274: ok 3429 # ring membership passed 274: ok 3430 # correct SSSR count 274: ok 3431 # ring membership passed 274: ok 3432 # correct SSSR count 274: ok 3433 # ring membership passed 274: ok 3434 # correct SSSR count 274: ok 3435 # ring membership passed 274: ok 3436 # correct SSSR count 274: ok 3437 # ring membership passed 274: ok 3438 # correct SSSR count 274: ok 3439 # ring membership passed 274: ok 3440 # correct SSSR count 274: ok 3441 # ring membership passed 274: ok 3442 # correct ring bond data 274: ok 3443 # correct ring bond data 274: ok 3444 # correct ring bond data 274: ok 3445 # correct ring bond data 274: ok 3446 # correct ring bond data 274: ok 3447 # correct ring bond data 274: ok 3448 # correct ring bond data 274: ok 3449 # correct ring bond data 274: ok 3450 # correct ring bond data 274: ok 3451 # correct ring bond data 274: ok 3452 # correct ring bond data 274: ok 3453 # correct ring bond data 274: ok 3454 # correct ring bond data 274: ok 3455 # correct ring bond data 274: ok 3456 # correct ring bond data 274: ok 3457 # correct ring bond data 274: ok 3458 # correct ring bond data 274: ok 3459 # correct ring bond data 274: ok 3460 # correct ring bond data 274: ok 3461 # correct ring bond data 274: ok 3462 # correct ring bond data 274: ok 3463 # correct ring bond data 274: ok 3464 # SSSR size matches reference 274: ok 3465 # correct SSSR count 274: ok 3466 # ring membership passed 274: ok 3467 # correct SSSR count 274: ok 3468 # ring membership passed 274: ok 3469 # correct SSSR count 274: ok 3470 # ring membership passed 274: ok 3471 # correct SSSR count 274: ok 3472 # ring membership passed 274: ok 3473 # correct SSSR count 274: ok 3474 # ring membership passed 274: ok 3475 # correct SSSR count 274: ok 3476 # ring membership passed 274: ok 3477 # correct SSSR count 274: ok 3478 # ring membership passed 274: ok 3479 # correct SSSR count 274: ok 3480 # ring membership passed 274: ok 3481 # correct SSSR count 274: ok 3482 # ring membership passed 274: ok 3483 # correct SSSR count 274: ok 3484 # ring membership passed 274: ok 3485 # correct SSSR count 274: ok 3486 # ring membership passed 274: ok 3487 # correct SSSR count 274: ok 3488 # ring membership passed 274: ok 3489 # correct SSSR count 274: ok 3490 # ring membership passed 274: ok 3491 # correct SSSR count 274: ok 3492 # ring membership passed 274: ok 3493 # correct SSSR count 274: ok 3494 # ring membership passed 274: ok 3495 # correct SSSR count 274: ok 3496 # ring membership passed 274: ok 3497 # correct SSSR count 274: ok 3498 # ring membership passed 274: ok 3499 # correct SSSR count 274: ok 3500 # ring membership passed 274: ok 3501 # correct SSSR count 274: ok 3502 # ring membership passed 274: ok 3503 # correct SSSR count 274: ok 3504 # ring membership passed 274: ok 3505 # correct SSSR count 274: ok 3506 # ring membership passed 274: ok 3507 # correct ring bond data 274: ok 3508 # correct ring bond data 274: ok 3509 # correct ring bond data 274: ok 3510 # correct ring bond data 274: ok 3511 # correct ring bond data 274: ok 3512 # correct ring bond data 274: ok 3513 # correct ring bond data 274: ok 3514 # correct ring bond data 274: ok 3515 # correct ring bond data 274: ok 3516 # correct ring bond data 274: ok 3517 # correct ring bond data 274: ok 3518 # correct ring bond data 274: ok 3519 # correct ring bond data 274: ok 3520 # correct ring bond data 274: ok 3521 # correct ring bond data 274: ok 3522 # correct ring bond data 274: ok 3523 # correct ring bond data 274: ok 3524 # correct ring bond data 274: ok 3525 # correct ring bond data 274: ok 3526 # correct ring bond data 274: ok 3527 # correct ring bond data 274: ok 3528 # SSSR size matches reference 274: ok 3529 # correct SSSR count 274: ok 3530 # ring membership passed 274: ok 3531 # correct SSSR count 274: ok 3532 # ring membership passed 274: ok 3533 # correct SSSR count 274: ok 3534 # ring membership passed 274: ok 3535 # correct SSSR count 274: ok 3536 # ring membership passed 274: ok 3537 # correct SSSR count 274: ok 3538 # ring membership passed 274: ok 3539 # correct SSSR count 274: ok 3540 # ring membership passed 274: ok 3541 # correct SSSR count 274: ok 3542 # ring membership passed 274: ok 3543 # correct SSSR count 274: ok 3544 # ring membership passed 274: ok 3545 # correct SSSR count 274: ok 3546 # ring membership passed 274: ok 3547 # correct SSSR count 274: ok 3548 # ring membership passed 274: ok 3549 # correct SSSR count 274: ok 3550 # ring membership passed 274: ok 3551 # correct SSSR count 274: ok 3552 # ring membership passed 274: ok 3553 # correct SSSR count 274: ok 3554 # ring membership passed 274: ok 3555 # correct SSSR count 274: ok 3556 # ring membership passed 274: ok 3557 # correct SSSR count 274: ok 3558 # ring membership passed 274: ok 3559 # correct SSSR count 274: ok 3560 # ring membership passed 274: ok 3561 # correct SSSR count 274: ok 3562 # ring membership passed 274: ok 3563 # correct SSSR count 274: ok 3564 # ring membership passed 274: ok 3565 # correct SSSR count 274: ok 3566 # ring membership passed 274: ok 3567 # correct SSSR count 274: ok 3568 # ring membership passed 274: ok 3569 # correct ring bond data 274: ok 3570 # correct ring bond data 274: ok 3571 # correct ring bond data 274: ok 3572 # correct ring bond data 274: ok 3573 # correct ring bond data 274: ok 3574 # correct ring bond data 274: ok 3575 # correct ring bond data 274: ok 3576 # correct ring bond data 274: ok 3577 # correct ring bond data 274: ok 3578 # correct ring bond data 274: ok 3579 # correct ring bond data 274: ok 3580 # correct ring bond data 274: ok 3581 # correct ring bond data 274: ok 3582 # correct ring bond data 274: ok 3583 # correct ring bond data 274: ok 3584 # correct ring bond data 274: ok 3585 # correct ring bond data 274: ok 3586 # correct ring bond data 274: ok 3587 # correct ring bond data 274: ok 3588 # correct ring bond data 274: ok 3589 # SSSR size matches reference 274: ok 3590 # correct SSSR count 274: ok 3591 # ring membership passed 274: ok 3592 # correct SSSR count 274: ok 3593 # ring membership passed 274: ok 3594 # correct SSSR count 274: ok 3595 # ring membership passed 274: ok 3596 # correct SSSR count 274: ok 3597 # ring membership passed 274: ok 3598 # correct SSSR count 274: ok 3599 # ring membership passed 274: ok 3600 # correct SSSR count 274: ok 3601 # ring membership passed 274: ok 3602 # correct SSSR count 274: ok 3603 # ring membership passed 274: ok 3604 # correct SSSR count 274: ok 3605 # ring membership passed 274: ok 3606 # correct SSSR count 274: ok 3607 # ring membership passed 274: ok 3608 # correct SSSR count 274: ok 3609 # ring membership passed 274: ok 3610 # correct SSSR count 274: ok 3611 # ring membership passed 274: ok 3612 # correct SSSR count 274: ok 3613 # ring membership passed 274: ok 3614 # correct SSSR count 274: ok 3615 # ring membership passed 274: ok 3616 # correct SSSR count 274: ok 3617 # ring membership passed 274: ok 3618 # correct SSSR count 274: ok 3619 # ring membership passed 274: ok 3620 # correct SSSR count 274: ok 3621 # ring membership passed 274: ok 3622 # correct SSSR count 274: ok 3623 # ring membership passed 274: ok 3624 # correct SSSR count 274: ok 3625 # ring membership passed 274: ok 3626 # correct SSSR count 274: ok 3627 # ring membership passed 274: ok 3628 # correct SSSR count 274: ok 3629 # ring membership passed 274: ok 3630 # correct ring bond data 274: ok 3631 # correct ring bond data 274: ok 3632 # correct ring bond data 274: ok 3633 # correct ring bond data 274: ok 3634 # correct ring bond data 274: ok 3635 # correct ring bond data 274: ok 3636 # correct ring bond data 274: ok 3637 # correct ring bond data 274: ok 3638 # correct ring bond data 274: ok 3639 # correct ring bond data 274: ok 3640 # correct ring bond data 274: ok 3641 # correct ring bond data 274: ok 3642 # correct ring bond data 274: ok 3643 # correct ring bond data 274: ok 3644 # correct ring bond data 274: ok 3645 # correct ring bond data 274: ok 3646 # correct ring bond data 274: ok 3647 # correct ring bond data 274: ok 3648 # correct ring bond data 274: ok 3649 # correct ring bond data 274: ok 3650 # correct ring bond data 274: ok 3651 # correct ring bond data 274: ok 3652 # SSSR size matches reference 274: ok 3653 # correct SSSR count 274: ok 3654 # ring membership passed 274: ok 3655 # correct SSSR count 274: ok 3656 # ring membership passed 274: ok 3657 # correct SSSR count 274: ok 3658 # ring membership passed 274: ok 3659 # correct SSSR count 274: ok 3660 # ring membership passed 274: ok 3661 # correct SSSR count 274: ok 3662 # ring membership passed 274: ok 3663 # correct SSSR count 274: ok 3664 # ring membership passed 274: ok 3665 # correct SSSR count 274: ok 3666 # ring membership passed 274: ok 3667 # correct SSSR count 274: ok 3668 # ring membership passed 274: ok 3669 # correct SSSR count 274: ok 3670 # ring membership passed 274: ok 3671 # correct SSSR count 274: ok 3672 # ring membership passed 274: ok 3673 # correct SSSR count 274: ok 3674 # ring membership passed 274: ok 3675 # correct SSSR count 274: ok 3676 # ring membership passed 274: ok 3677 # correct SSSR count 274: ok 3678 # ring membership passed 274: ok 3679 # correct SSSR count 274: ok 3680 # ring membership passed 274: ok 3681 # correct SSSR count 274: ok 3682 # ring membership passed 274: ok 3683 # correct SSSR count 274: ok 3684 # ring membership passed 274: ok 3685 # correct SSSR count 274: ok 3686 # ring membership passed 274: ok 3687 # correct SSSR count 274: ok 3688 # ring membership passed 274: ok 3689 # correct SSSR count 274: ok 3690 # ring membership passed 274: ok 3691 # correct SSSR count 274: ok 3692 # ring membership passed 274: ok 3693 # correct SSSR count 274: ok 3694 # ring membership passed 274: ok 3695 # correct ring bond data 274: ok 3696 # correct ring bond data 274: ok 3697 # correct ring bond data 274: ok 3698 # correct ring bond data 274: ok 3699 # correct ring bond data 274: ok 3700 # correct ring bond data 274: ok 3701 # correct ring bond data 274: ok 3702 # correct ring bond data 274: ok 3703 # correct ring bond data 274: ok 3704 # correct ring bond data 274: ok 3705 # correct ring bond data 274: ok 3706 # correct ring bond data 274: ok 3707 # correct ring bond data 274: ok 3708 # correct ring bond data 274: ok 3709 # correct ring bond data 274: ok 3710 # correct ring bond data 274: ok 3711 # correct ring bond data 274: ok 3712 # correct ring bond data 274: ok 3713 # correct ring bond data 274: ok 3714 # correct ring bond data 274: ok 3715 # correct ring bond data 274: ok 3716 # correct ring bond data 274: ok 3717 # correct ring bond data 274: ok 3718 # correct ring bond data 274: ok 3719 # correct ring bond data 274: ok 3720 # correct ring bond data 274: ok 3721 # correct ring bond data 274: ok 3722 # SSSR size matches reference 274: ok 3723 # correct SSSR count 274: ok 3724 # ring membership passed 274: ok 3725 # correct SSSR count 274: ok 3726 # ring membership passed 274: ok 3727 # correct SSSR count 274: ok 3728 # ring membership passed 274: ok 3729 # correct SSSR count 274: ok 3730 # ring membership passed 274: ok 3731 # correct SSSR count 274: ok 3732 # ring membership passed 274: ok 3733 # correct SSSR count 274: ok 3734 # ring membership passed 274: ok 3735 # correct SSSR count 274: ok 3736 # ring membership passed 274: ok 3737 # correct SSSR count 274: ok 3738 # ring membership passed 274: ok 3739 # correct SSSR count 274: ok 3740 # ring membership passed 274: ok 3741 # correct SSSR count 274: ok 3742 # ring membership passed 274: ok 3743 # correct SSSR count 274: ok 3744 # ring membership passed 274: ok 3745 # correct SSSR count 274: ok 3746 # ring membership passed 274: ok 3747 # correct SSSR count 274: ok 3748 # ring membership passed 274: ok 3749 # correct SSSR count 274: ok 3750 # ring membership passed 274: ok 3751 # correct SSSR count 274: ok 3752 # ring membership passed 274: ok 3753 # correct SSSR count 274: ok 3754 # ring membership passed 274: ok 3755 # correct SSSR count 274: ok 3756 # ring membership passed 274: ok 3757 # correct SSSR count 274: ok 3758 # ring membership passed 274: ok 3759 # correct SSSR count 274: ok 3760 # ring membership passed 274: ok 3761 # correct SSSR count 274: ok 3762 # ring membership passed 274: ok 3763 # correct SSSR count 274: ok 3764 # ring membership passed 274: ok 3765 # correct SSSR count 274: ok 3766 # ring membership passed 274: ok 3767 # correct SSSR count 274: ok 3768 # ring membership passed 274: ok 3769 # correct SSSR count 274: ok 3770 # ring membership passed 274: ok 3771 # correct SSSR count 274: ok 3772 # ring membership passed 274: ok 3773 # correct ring bond data 274: ok 3774 # correct ring bond data 274: ok 3775 # correct ring bond data 274: ok 3776 # correct ring bond data 274: ok 3777 # correct ring bond data 274: ok 3778 # correct ring bond data 274: ok 3779 # correct ring bond data 274: ok 3780 # correct ring bond data 274: ok 3781 # correct ring bond data 274: ok 3782 # correct ring bond data 274: ok 3783 # correct ring bond data 274: ok 3784 # correct ring bond data 274: ok 3785 # correct ring bond data 274: ok 3786 # correct ring bond data 274: ok 3787 # SSSR size matches reference 274: ok 3788 # correct SSSR count 274: ok 3789 # ring membership passed 274: ok 3790 # correct SSSR count 274: ok 3791 # ring membership passed 274: ok 3792 # correct SSSR count 274: ok 3793 # ring membership passed 274: ok 3794 # correct SSSR count 274: ok 3795 # ring membership passed 274: ok 3796 # correct SSSR count 274: ok 3797 # ring membership passed 274: ok 3798 # correct SSSR count 274: ok 3799 # ring membership passed 274: ok 3800 # correct SSSR count 274: ok 3801 # ring membership passed 274: ok 3802 # correct SSSR count 274: ok 3803 # ring membership passed 274: ok 3804 # correct SSSR count 274: ok 3805 # ring membership passed 274: ok 3806 # correct SSSR count 274: ok 3807 # ring membership passed 274: ok 3808 # correct SSSR count 274: ok 3809 # ring membership passed 274: ok 3810 # correct SSSR count 274: ok 3811 # ring membership passed 274: ok 3812 # correct SSSR count 274: ok 3813 # ring membership passed 274: ok 3814 # correct SSSR count 274: ok 3815 # ring membership passed 274: ok 3816 # correct ring bond data 274: ok 3817 # correct ring bond data 274: ok 3818 # correct ring bond data 274: ok 3819 # correct ring bond data 274: ok 3820 # correct ring bond data 274: ok 3821 # correct ring bond data 274: ok 3822 # correct ring bond data 274: ok 3823 # correct ring bond data 274: ok 3824 # correct ring bond data 274: ok 3825 # correct ring bond data 274: ok 3826 # correct ring bond data 274: ok 3827 # correct ring bond data 274: ok 3828 # correct ring bond data 274: ok 3829 # correct ring bond data 274: ok 3830 # correct ring bond data 274: ok 3831 # correct ring bond data 274: ok 3832 # correct ring bond data 274: ok 3833 # correct ring bond data 274: ok 3834 # correct ring bond data 274: ok 3835 # correct ring bond data 274: ok 3836 # correct ring bond data 274: ok 3837 # correct ring bond data 274: ok 3838 # SSSR size matches reference 274: ok 3839 # correct SSSR count 274: ok 3840 # ring membership passed 274: ok 3841 # correct SSSR count 274: ok 3842 # ring membership passed 274: ok 3843 # correct SSSR count 274: ok 3844 # ring membership passed 274: ok 3845 # correct SSSR count 274: ok 3846 # ring membership passed 274: ok 3847 # correct SSSR count 274: ok 3848 # ring membership passed 274: ok 3849 # correct SSSR count 274: ok 3850 # ring membership passed 274: ok 3851 # correct SSSR count 274: ok 3852 # ring membership passed 274: ok 3853 # correct SSSR count 274: ok 3854 # ring membership passed 274: ok 3855 # correct SSSR count 274: ok 3856 # ring membership passed 274: ok 3857 # correct SSSR count 274: ok 3858 # ring membership passed 274: ok 3859 # correct SSSR count 274: ok 3860 # ring membership passed 274: ok 3861 # correct SSSR count 274: ok 3862 # ring membership passed 274: ok 3863 # correct SSSR count 274: ok 3864 # ring membership passed 274: ok 3865 # correct SSSR count 274: ok 3866 # ring membership passed 274: ok 3867 # correct SSSR count 274: ok 3868 # ring membership passed 274: ok 3869 # correct SSSR count 274: ok 3870 # ring membership passed 274: ok 3871 # correct SSSR count 274: ok 3872 # ring membership passed 274: ok 3873 # correct SSSR count 274: ok 3874 # ring membership passed 274: ok 3875 # correct SSSR count 274: ok 3876 # ring membership passed 274: ok 3877 # correct SSSR count 274: ok 3878 # ring membership passed 274: ok 3879 # correct SSSR count 274: ok 3880 # ring membership passed 274: ok 3881 # correct SSSR count 274: ok 3882 # ring membership passed 274: ok 3883 # correct ring bond data 274: ok 3884 # correct ring bond data 274: ok 3885 # correct ring bond data 274: ok 3886 # correct ring bond data 274: ok 3887 # correct ring bond data 274: ok 3888 # correct ring bond data 274: ok 3889 # correct ring bond data 274: ok 3890 # correct ring bond data 274: ok 3891 # correct ring bond data 274: ok 3892 # correct ring bond data 274: ok 3893 # correct ring bond data 274: ok 3894 # correct ring bond data 274: ok 3895 # correct ring bond data 274: ok 3896 # SSSR size matches reference 274: ok 3897 # correct SSSR count 274: ok 3898 # ring membership passed 274: ok 3899 # correct SSSR count 274: ok 3900 # ring membership passed 274: ok 3901 # correct SSSR count 274: ok 3902 # ring membership passed 274: ok 3903 # correct SSSR count 274: ok 3904 # ring membership passed 274: ok 3905 # correct SSSR count 274: ok 3906 # ring membership passed 274: ok 3907 # correct SSSR count 274: ok 3908 # ring membership passed 274: ok 3909 # correct SSSR count 274: ok 3910 # ring membership passed 274: ok 3911 # correct SSSR count 274: ok 3912 # ring membership passed 274: ok 3913 # correct SSSR count 274: ok 3914 # ring membership passed 274: ok 3915 # correct SSSR count 274: ok 3916 # ring membership passed 274: ok 3917 # correct SSSR count 274: ok 3918 # ring membership passed 274: ok 3919 # correct SSSR count 274: ok 3920 # ring membership passed 274: ok 3921 # correct SSSR count 274: ok 3922 # ring membership passed 274: ok 3923 # correct SSSR count 274: ok 3924 # ring membership passed 274: ok 3925 # correct ring bond data 274: ok 3926 # correct ring bond data 274: ok 3927 # correct ring bond data 274: ok 3928 # correct ring bond data 274: ok 3929 # correct ring bond data 274: ok 3930 # correct ring bond data 274: ok 3931 # correct ring bond data 274: ok 3932 # correct ring bond data 274: ok 3933 # correct ring bond data 274: ok 3934 # correct ring bond data 274: ok 3935 # correct ring bond data 274: ok 3936 # correct ring bond data 274: ok 3937 # correct ring bond data 274: ok 3938 # correct ring bond data 274: ok 3939 # correct ring bond data 274: ok 3940 # correct ring bond data 274: ok 3941 # correct ring bond data 274: ok 3942 # correct ring bond data 274: ok 3943 # correct ring bond data 274: ok 3944 # correct ring bond data 274: ok 3945 # correct ring bond data 274: ok 3946 # correct ring bond data 274: ok 3947 # correct ring bond data 274: ok 3948 # correct ring bond data 274: ok 3949 # correct ring bond data 274: ok 3950 # correct ring bond data 274: ok 3951 # correct ring bond data 274: ok 3952 # correct ring bond data 274: ok 3953 # correct ring bond data 274: ok 3954 # correct ring bond data 274: ok 3955 # correct ring bond data 274: ok 3956 # SSSR size matches reference 274: ok 3957 # correct SSSR count 274: ok 3958 # ring membership passed 274: ok 3959 # correct SSSR count 274: ok 3960 # ring membership passed 274: ok 3961 # correct SSSR count 274: ok 3962 # ring membership passed 274: ok 3963 # correct SSSR count 274: ok 3964 # ring membership passed 274: ok 3965 # correct SSSR count 274: ok 3966 # ring membership passed 274: ok 3967 # correct SSSR count 274: ok 3968 # ring membership passed 274: ok 3969 # correct SSSR count 274: ok 3970 # ring membership passed 274: ok 3971 # correct SSSR count 274: ok 3972 # ring membership passed 274: ok 3973 # correct SSSR count 274: ok 3974 # ring membership passed 274: ok 3975 # correct SSSR count 274: ok 3976 # ring membership passed 274: ok 3977 # correct SSSR count 274: ok 3978 # ring membership passed 274: ok 3979 # correct SSSR count 274: ok 3980 # ring membership passed 274: ok 3981 # correct SSSR count 274: ok 3982 # ring membership passed 274: ok 3983 # correct SSSR count 274: ok 3984 # ring membership passed 274: ok 3985 # correct SSSR count 274: ok 3986 # ring membership passed 274: ok 3987 # correct SSSR count 274: ok 3988 # ring membership passed 274: ok 3989 # correct SSSR count 274: ok 3990 # ring membership passed 274: ok 3991 # correct SSSR count 274: ok 3992 # ring membership passed 274: ok 3993 # correct SSSR count 274: ok 3994 # ring membership passed 274: ok 3995 # correct SSSR count 274: ok 3996 # ring membership passed 274: ok 3997 # correct SSSR count 274: ok 3998 # ring membership passed 274: ok 3999 # correct SSSR count 274: ok 4000 # ring membership passed 274: ok 4001 # correct SSSR count 274: ok 4002 # ring membership passed 274: ok 4003 # correct SSSR count 274: ok 4004 # ring membership passed 274: ok 4005 # correct SSSR count 274: ok 4006 # ring membership passed 274: ok 4007 # correct SSSR count 274: ok 4008 # ring membership passed 274: ok 4009 # correct SSSR count 274: ok 4010 # ring membership passed 274: ok 4011 # correct SSSR count 274: ok 4012 # ring membership passed 274: ok 4013 # correct ring bond data 274: ok 4014 # correct ring bond data 274: ok 4015 # correct ring bond data 274: ok 4016 # correct ring bond data 274: ok 4017 # correct ring bond data 274: ok 4018 # correct ring bond data 274: ok 4019 # correct ring bond data 274: ok 4020 # correct ring bond data 274: ok 4021 # correct ring bond data 274: ok 4022 # correct ring bond data 274: ok 4023 # correct ring bond data 274: ok 4024 # correct ring bond data 274: ok 4025 # correct ring bond data 274: ok 4026 # correct ring bond data 274: ok 4027 # correct ring bond data 274: ok 4028 # correct ring bond data 274: ok 4029 # correct ring bond data 274: ok 4030 # correct ring bond data 274: ok 4031 # correct ring bond data 274: ok 4032 # correct ring bond data 274: ok 4033 # correct ring bond data 274: ok 4034 # correct ring bond data 274: ok 4035 # correct ring bond data 274: ok 4036 # correct ring bond data 274: ok 4037 # SSSR size matches reference 274: ok 4038 # correct SSSR count 274: ok 4039 # ring membership passed 274: ok 4040 # correct SSSR count 274: ok 4041 # ring membership passed 274: ok 4042 # correct SSSR count 274: ok 4043 # ring membership passed 274: ok 4044 # correct SSSR count 274: ok 4045 # ring membership passed 274: ok 4046 # correct SSSR count 274: ok 4047 # ring membership passed 274: ok 4048 # correct SSSR count 274: ok 4049 # ring membership passed 274: ok 4050 # correct SSSR count 274: ok 4051 # ring membership passed 274: ok 4052 # correct SSSR count 274: ok 4053 # ring membership passed 274: ok 4054 # correct SSSR count 274: ok 4055 # ring membership passed 274: ok 4056 # correct SSSR count 274: ok 4057 # ring membership passed 274: ok 4058 # correct SSSR count 274: ok 4059 # ring membership passed 274: ok 4060 # correct SSSR count 274: ok 4061 # ring membership passed 274: ok 4062 # correct SSSR count 274: ok 4063 # ring membership passed 274: ok 4064 # correct SSSR count 274: ok 4065 # ring membership passed 274: ok 4066 # correct SSSR count 274: ok 4067 # ring membership passed 274: ok 4068 # correct SSSR count 274: ok 4069 # ring membership passed 274: ok 4070 # correct SSSR count 274: ok 4071 # ring membership passed 274: ok 4072 # correct SSSR count 274: ok 4073 # ring membership passed 274: ok 4074 # correct SSSR count 274: ok 4075 # ring membership passed 274: ok 4076 # correct SSSR count 274: ok 4077 # ring membership passed 274: ok 4078 # correct SSSR count 274: ok 4079 # ring membership passed 274: ok 4080 # correct SSSR count 274: ok 4081 # ring membership passed 274: ok 4082 # correct ring bond data 274: ok 4083 # correct ring bond data 274: ok 4084 # correct ring bond data 274: ok 4085 # correct ring bond data 274: ok 4086 # correct ring bond data 274: ok 4087 # correct ring bond data 274: ok 4088 # correct ring bond data 274: ok 4089 # correct ring bond data 274: ok 4090 # correct ring bond data 274: ok 4091 # correct ring bond data 274: ok 4092 # correct ring bond data 274: ok 4093 # correct ring bond data 274: ok 4094 # correct ring bond data 274: ok 4095 # correct ring bond data 274: ok 4096 # correct ring bond data 274: ok 4097 # correct ring bond data 274: ok 4098 # correct ring bond data 274: ok 4099 # correct ring bond data 274: ok 4100 # correct ring bond data 274: ok 4101 # correct ring bond data 274: ok 4102 # correct ring bond data 274: ok 4103 # correct ring bond data 274: ok 4104 # correct ring bond data 274: ok 4105 # SSSR size matches reference 274: ok 4106 # correct SSSR count 274: ok 4107 # ring membership passed 274: ok 4108 # correct SSSR count 274: ok 4109 # ring membership passed 274: ok 4110 # correct SSSR count 274: ok 4111 # ring membership passed 274: ok 4112 # correct SSSR count 274: ok 4113 # ring membership passed 274: ok 4114 # correct SSSR count 274: ok 4115 # ring membership passed 274: ok 4116 # correct SSSR count 274: ok 4117 # ring membership passed 274: ok 4118 # correct SSSR count 274: ok 4119 # ring membership passed 274: ok 4120 # correct SSSR count 274: ok 4121 # ring membership passed 274: ok 4122 # correct SSSR count 274: ok 4123 # ring membership passed 274: ok 4124 # correct SSSR count 274: ok 4125 # ring membership passed 274: ok 4126 # correct SSSR count 274: ok 4127 # ring membership passed 274: ok 4128 # correct SSSR count 274: ok 4129 # ring membership passed 274: ok 4130 # correct SSSR count 274: ok 4131 # ring membership passed 274: ok 4132 # correct SSSR count 274: ok 4133 # ring membership passed 274: ok 4134 # correct SSSR count 274: ok 4135 # ring membership passed 274: ok 4136 # correct SSSR count 274: ok 4137 # ring membership passed 274: ok 4138 # correct SSSR count 274: ok 4139 # ring membership passed 274: ok 4140 # correct SSSR count 274: ok 4141 # ring membership passed 274: ok 4142 # correct SSSR count 274: ok 4143 # ring membership passed 274: ok 4144 # correct SSSR count 274: ok 4145 # ring membership passed 274: ok 4146 # correct SSSR count 274: ok 4147 # ring membership passed 274: ok 4148 # correct ring bond data 274: ok 4149 # correct ring bond data 274: ok 4150 # correct ring bond data 274: ok 4151 # correct ring bond data 274: ok 4152 # correct ring bond data 274: ok 4153 # correct ring bond data 274: ok 4154 # correct ring bond data 274: ok 4155 # correct ring bond data 274: ok 4156 # correct ring bond data 274: ok 4157 # correct ring bond data 274: ok 4158 # correct ring bond data 274: ok 4159 # correct ring bond data 274: ok 4160 # correct ring bond data 274: ok 4161 # SSSR size matches reference 274: ok 4162 # correct SSSR count 274: ok 4163 # ring membership passed 274: ok 4164 # correct SSSR count 274: ok 4165 # ring membership passed 274: ok 4166 # correct SSSR count 274: ok 4167 # ring membership passed 274: ok 4168 # correct SSSR count 274: ok 4169 # ring membership passed 274: ok 4170 # correct SSSR count 274: ok 4171 # ring membership passed 274: ok 4172 # correct SSSR count 274: ok 4173 # ring membership passed 274: ok 4174 # correct SSSR count 274: ok 4175 # ring membership passed 274: ok 4176 # correct SSSR count 274: ok 4177 # ring membership passed 274: ok 4178 # correct SSSR count 274: ok 4179 # ring membership passed 274: ok 4180 # correct SSSR count 274: ok 4181 # ring membership passed 274: ok 4182 # correct SSSR count 274: ok 4183 # ring membership passed 274: ok 4184 # correct SSSR count 274: ok 4185 # ring membership passed 274: ok 4186 # correct SSSR count 274: ok 4187 # ring membership passed 274: ok 4188 # correct ring bond data 274: ok 4189 # correct ring bond data 274: ok 4190 # correct ring bond data 274: ok 4191 # correct ring bond data 274: ok 4192 # correct ring bond data 274: ok 4193 # correct ring bond data 274: ok 4194 # correct ring bond data 274: ok 4195 # correct ring bond data 274: ok 4196 # correct ring bond data 274: ok 4197 # correct ring bond data 274: ok 4198 # correct ring bond data 274: ok 4199 # correct ring bond data 274: ok 4200 # correct ring bond data 274: ok 4201 # correct ring bond data 274: ok 4202 # correct ring bond data 274: ok 4203 # correct ring bond data 274: ok 4204 # correct ring bond data 274: ok 4205 # correct ring bond data 274: ok 4206 # correct ring bond data 274: ok 4207 # correct ring bond data 274: ok 4208 # correct ring bond data 274: ok 4209 # correct ring bond data 274: ok 4210 # correct ring bond data 274: ok 4211 # SSSR size matches reference 274: ok 4212 # correct SSSR count 274: ok 4213 # ring membership passed 274: ok 4214 # correct SSSR count 274: ok 4215 # ring membership passed 274: ok 4216 # correct SSSR count 274: ok 4217 # ring membership passed 274: ok 4218 # correct SSSR count 274: ok 4219 # ring membership passed 274: ok 4220 # correct SSSR count 274: ok 4221 # ring membership passed 274: ok 4222 # correct SSSR count 274: ok 4223 # ring membership passed 274: ok 4224 # correct SSSR count 274: ok 4225 # ring membership passed 274: ok 4226 # correct SSSR count 274: ok 4227 # ring membership passed 274: ok 4228 # correct SSSR count 274: ok 4229 # ring membership passed 274: ok 4230 # correct SSSR count 274: ok 4231 # ring membership passed 274: ok 4232 # correct SSSR count 274: ok 4233 # ring membership passed 274: ok 4234 # correct SSSR count 274: ok 4235 # ring membership passed 274: ok 4236 # correct SSSR count 274: ok 4237 # ring membership passed 274: ok 4238 # correct SSSR count 274: ok 4239 # ring membership passed 274: ok 4240 # correct SSSR count 274: ok 4241 # ring membership passed 274: ok 4242 # correct SSSR count 274: ok 4243 # ring membership passed 274: ok 4244 # correct SSSR count 274: ok 4245 # ring membership passed 274: ok 4246 # correct SSSR count 274: ok 4247 # ring membership passed 274: ok 4248 # correct SSSR count 274: ok 4249 # ring membership passed 274: ok 4250 # correct SSSR count 274: ok 4251 # ring membership passed 274: ok 4252 # correct SSSR count 274: ok 4253 # ring membership passed 274: ok 4254 # correct ring bond data 274: ok 4255 # correct ring bond data 274: ok 4256 # correct ring bond data 274: ok 4257 # correct ring bond data 274: ok 4258 # correct ring bond data 274: ok 4259 # correct ring bond data 274: ok 4260 # correct ring bond data 274: ok 4261 # correct ring bond data 274: ok 4262 # correct ring bond data 274: ok 4263 # correct ring bond data 274: ok 4264 # correct ring bond data 274: ok 4265 # correct ring bond data 274: ok 4266 # correct ring bond data 274: ok 4267 # correct ring bond data 274: ok 4268 # correct ring bond data 274: ok 4269 # correct ring bond data 274: ok 4270 # correct ring bond data 274: ok 4271 # SSSR size matches reference 274: ok 4272 # correct SSSR count 274: ok 4273 # ring membership passed 274: ok 4274 # correct SSSR count 274: ok 4275 # ring membership passed 274: ok 4276 # correct SSSR count 274: ok 4277 # ring membership passed 274: ok 4278 # correct SSSR count 274: ok 4279 # ring membership passed 274: ok 4280 # correct SSSR count 274: ok 4281 # ring membership passed 274: ok 4282 # correct SSSR count 274: ok 4283 # ring membership passed 274: ok 4284 # correct SSSR count 274: ok 4285 # ring membership passed 274: ok 4286 # correct SSSR count 274: ok 4287 # ring membership passed 274: ok 4288 # correct SSSR count 274: ok 4289 # ring membership passed 274: ok 4290 # correct SSSR count 274: ok 4291 # ring membership passed 274: ok 4292 # correct SSSR count 274: ok 4293 # ring membership passed 274: ok 4294 # correct SSSR count 274: ok 4295 # ring membership passed 274: ok 4296 # correct SSSR count 274: ok 4297 # ring membership passed 274: ok 4298 # correct SSSR count 274: ok 4299 # ring membership passed 274: ok 4300 # correct SSSR count 274: ok 4301 # ring membership passed 274: ok 4302 # correct SSSR count 274: ok 4303 # ring membership passed 274: ok 4304 # correct ring bond data 274: ok 4305 # correct ring bond data 274: ok 4306 # correct ring bond data 274: ok 4307 # correct ring bond data 274: ok 4308 # correct ring bond data 274: ok 4309 # correct ring bond data 274: ok 4310 # correct ring bond data 274: ok 4311 # correct ring bond data 274: ok 4312 # correct ring bond data 274: ok 4313 # correct ring bond data 274: ok 4314 # correct ring bond data 274: ok 4315 # correct ring bond data 274: ok 4316 # correct ring bond data 274: ok 4317 # correct ring bond data 274: ok 4318 # correct ring bond data 274: ok 4319 # correct ring bond data 274: ok 4320 # correct ring bond data 274: ok 4321 # correct ring bond data 274: ok 4322 # correct ring bond data 274: ok 4323 # correct ring bond data 274: ok 4324 # correct ring bond data 274: ok 4325 # correct ring bond data 274: ok 4326 # correct ring bond data 274: ok 4327 # correct ring bond data 274: ok 4328 # SSSR size matches reference 274: ok 4329 # correct SSSR count 274: ok 4330 # ring membership passed 274: ok 4331 # correct SSSR count 274: ok 4332 # ring membership passed 274: ok 4333 # correct SSSR count 274: ok 4334 # ring membership passed 274: ok 4335 # correct SSSR count 274: ok 4336 # ring membership passed 274: ok 4337 # correct SSSR count 274: ok 4338 # ring membership passed 274: ok 4339 # correct SSSR count 274: ok 4340 # ring membership passed 274: ok 4341 # correct SSSR count 274: ok 4342 # ring membership passed 274: ok 4343 # correct SSSR count 274: ok 4344 # ring membership passed 274: ok 4345 # correct SSSR count 274: ok 4346 # ring membership passed 274: ok 4347 # correct SSSR count 274: ok 4348 # ring membership passed 274: ok 4349 # correct SSSR count 274: ok 4350 # ring membership passed 274: ok 4351 # correct SSSR count 274: ok 4352 # ring membership passed 274: ok 4353 # correct SSSR count 274: ok 4354 # ring membership passed 274: ok 4355 # correct SSSR count 274: ok 4356 # ring membership passed 274: ok 4357 # correct SSSR count 274: ok 4358 # ring membership passed 274: ok 4359 # correct SSSR count 274: ok 4360 # ring membership passed 274: ok 4361 # correct SSSR count 274: ok 4362 # ring membership passed 274: ok 4363 # correct SSSR count 274: ok 4364 # ring membership passed 274: ok 4365 # correct SSSR count 274: ok 4366 # ring membership passed 274: ok 4367 # correct SSSR count 274: ok 4368 # ring membership passed 274: ok 4369 # correct SSSR count 274: ok 4370 # ring membership passed 274: ok 4371 # correct SSSR count 274: ok 4372 # ring membership passed 274: ok 4373 # correct ring bond data 274: ok 4374 # correct ring bond data 274: ok 4375 # correct ring bond data 274: ok 4376 # correct ring bond data 274: ok 4377 # correct ring bond data 274: ok 4378 # correct ring bond data 274: ok 4379 # correct ring bond data 274: ok 4380 # correct ring bond data 274: ok 4381 # correct ring bond data 274: ok 4382 # correct ring bond data 274: ok 4383 # correct ring bond data 274: ok 4384 # correct ring bond data 274: ok 4385 # correct ring bond data 274: ok 4386 # correct ring bond data 274: ok 4387 # correct ring bond data 274: ok 4388 # correct ring bond data 274: ok 4389 # correct ring bond data 274: ok 4390 # SSSR size matches reference 274: ok 4391 # correct SSSR count 274: ok 4392 # ring membership passed 274: ok 4393 # correct SSSR count 274: ok 4394 # ring membership passed 274: ok 4395 # correct SSSR count 274: ok 4396 # ring membership passed 274: ok 4397 # correct SSSR count 274: ok 4398 # ring membership passed 274: ok 4399 # correct SSSR count 274: ok 4400 # ring membership passed 274: ok 4401 # correct SSSR count 274: ok 4402 # ring membership passed 274: ok 4403 # correct SSSR count 274: ok 4404 # ring membership passed 274: ok 4405 # correct SSSR count 274: ok 4406 # ring membership passed 274: ok 4407 # correct SSSR count 274: ok 4408 # ring membership passed 274: ok 4409 # correct SSSR count 274: ok 4410 # ring membership passed 274: ok 4411 # correct SSSR count 274: ok 4412 # ring membership passed 274: ok 4413 # correct SSSR count 274: ok 4414 # ring membership passed 274: ok 4415 # correct SSSR count 274: ok 4416 # ring membership passed 274: ok 4417 # correct SSSR count 274: ok 4418 # ring membership passed 274: ok 4419 # correct SSSR count 274: ok 4420 # ring membership passed 274: ok 4421 # correct SSSR count 274: ok 4422 # ring membership passed 274: ok 4423 # correct ring bond data 274: ok 4424 # correct ring bond data 274: ok 4425 # correct ring bond data 274: ok 4426 # correct ring bond data 274: ok 4427 # correct ring bond data 274: ok 4428 # correct ring bond data 274: ok 4429 # correct ring bond data 274: ok 4430 # correct ring bond data 274: ok 4431 # correct ring bond data 274: ok 4432 # correct ring bond data 274: ok 4433 # correct ring bond data 274: ok 4434 # correct ring bond data 274: ok 4435 # correct ring bond data 274: ok 4436 # correct ring bond data 274: ok 4437 # correct ring bond data 274: ok 4438 # correct ring bond data 274: ok 4439 # correct ring bond data 274: ok 4440 # correct ring bond data 274: ok 4441 # SSSR size matches reference 274: ok 4442 # correct SSSR count 274: ok 4443 # ring membership passed 274: ok 4444 # correct SSSR count 274: ok 4445 # ring membership passed 274: ok 4446 # correct SSSR count 274: ok 4447 # ring membership passed 274: ok 4448 # correct SSSR count 274: ok 4449 # ring membership passed 274: ok 4450 # correct SSSR count 274: ok 4451 # ring membership passed 274: ok 4452 # correct SSSR count 274: ok 4453 # ring membership passed 274: ok 4454 # correct SSSR count 274: ok 4455 # ring membership passed 274: ok 4456 # correct SSSR count 274: ok 4457 # ring membership passed 274: ok 4458 # correct SSSR count 274: ok 4459 # ring membership passed 274: ok 4460 # correct SSSR count 274: ok 4461 # ring membership passed 274: ok 4462 # correct SSSR count 274: ok 4463 # ring membership passed 274: ok 4464 # correct SSSR count 274: ok 4465 # ring membership passed 274: ok 4466 # correct SSSR count 274: ok 4467 # ring membership passed 274: ok 4468 # correct SSSR count 274: ok 4469 # ring membership passed 274: ok 4470 # correct SSSR count 274: ok 4471 # ring membership passed 274: ok 4472 # correct SSSR count 274: ok 4473 # ring membership passed 274: ok 4474 # correct SSSR count 274: ok 4475 # ring membership passed 274: ok 4476 # correct ring bond data 274: ok 4477 # correct ring bond data 274: ok 4478 # correct ring bond data 274: ok 4479 # correct ring bond data 274: ok 4480 # correct ring bond data 274: ok 4481 # correct ring bond data 274: ok 4482 # correct ring bond data 274: ok 4483 # correct ring bond data 274: ok 4484 # correct ring bond data 274: ok 4485 # correct ring bond data 274: ok 4486 # correct ring bond data 274: ok 4487 # correct ring bond data 274: ok 4488 # correct ring bond data 274: ok 4489 # correct ring bond data 274: ok 4490 # correct ring bond data 274: ok 4491 # correct ring bond data 274: ok 4492 # correct ring bond data 274: ok 4493 # correct ring bond data 274: ok 4494 # correct ring bond data 274: ok 4495 # SSSR size matches reference 274: ok 4496 # correct SSSR count 274: ok 4497 # ring membership passed 274: ok 4498 # correct SSSR count 274: ok 4499 # ring membership passed 274: ok 4500 # correct SSSR count 274: ok 4501 # ring membership passed 274: ok 4502 # correct SSSR count 274: ok 4503 # ring membership passed 274: ok 4504 # correct SSSR count 274: ok 4505 # ring membership passed 274: ok 4506 # correct SSSR count 274: ok 4507 # ring membership passed 274: ok 4508 # correct SSSR count 274: ok 4509 # ring membership passed 274: ok 4510 # correct SSSR count 274: ok 4511 # ring membership passed 274: ok 4512 # correct SSSR count 274: ok 4513 # ring membership passed 274: ok 4514 # correct SSSR count 274: ok 4515 # ring membership passed 274: ok 4516 # correct SSSR count 274: ok 4517 # ring membership passed 274: ok 4518 # correct SSSR count 274: ok 4519 # ring membership passed 274: ok 4520 # correct SSSR count 274: ok 4521 # ring membership passed 274: ok 4522 # correct SSSR count 274: ok 4523 # ring membership passed 274: ok 4524 # correct SSSR count 274: ok 4525 # ring membership passed 274: ok 4526 # correct SSSR count 274: ok 4527 # ring membership passed 274: ok 4528 # correct SSSR count 274: ok 4529 # ring membership passed 274: ok 4530 # correct SSSR count 274: ok 4531 # ring membership passed 274: ok 4532 # correct ring bond data 274: ok 4533 # correct ring bond data 274: ok 4534 # correct ring bond data 274: ok 4535 # correct ring bond data 274: ok 4536 # correct ring bond data 274: ok 4537 # correct ring bond data 274: ok 4538 # correct ring bond data 274: ok 4539 # correct ring bond data 274: ok 4540 # correct ring bond data 274: ok 4541 # correct ring bond data 274: ok 4542 # correct ring bond data 274: ok 4543 # correct ring bond data 274: ok 4544 # correct ring bond data 274: ok 4545 # correct ring bond data 274: ok 4546 # correct ring bond data 274: ok 4547 # correct ring bond data 274: ok 4548 # correct ring bond data 274: ok 4549 # correct ring bond data 274: ok 4550 # correct ring bond data 274: ok 4551 # correct ring bond data 274: ok 4552 # SSSR size matches reference 274: ok 4553 # correct SSSR count 274: ok 4554 # ring membership passed 274: ok 4555 # correct SSSR count 274: ok 4556 # ring membership passed 274: ok 4557 # correct SSSR count 274: ok 4558 # ring membership passed 274: ok 4559 # correct SSSR count 274: ok 4560 # ring membership passed 274: ok 4561 # correct SSSR count 274: ok 4562 # ring membership passed 274: ok 4563 # correct SSSR count 274: ok 4564 # ring membership passed 274: ok 4565 # correct SSSR count 274: ok 4566 # ring membership passed 274: ok 4567 # correct SSSR count 274: ok 4568 # ring membership passed 274: ok 4569 # correct SSSR count 274: ok 4570 # ring membership passed 274: ok 4571 # correct SSSR count 274: ok 4572 # ring membership passed 274: ok 4573 # correct SSSR count 274: ok 4574 # ring membership passed 274: ok 4575 # correct SSSR count 274: ok 4576 # ring membership passed 274: ok 4577 # correct SSSR count 274: ok 4578 # ring membership passed 274: ok 4579 # correct SSSR count 274: ok 4580 # ring membership passed 274: ok 4581 # correct SSSR count 274: ok 4582 # ring membership passed 274: ok 4583 # correct SSSR count 274: ok 4584 # ring membership passed 274: ok 4585 # correct SSSR count 274: ok 4586 # ring membership passed 274: ok 4587 # correct SSSR count 274: ok 4588 # ring membership passed 274: ok 4589 # correct SSSR count 274: ok 4590 # ring membership passed 274: ok 4591 # correct ring bond data 274: ok 4592 # correct ring bond data 274: ok 4593 # correct ring bond data 274: ok 4594 # correct ring bond data 274: ok 4595 # correct ring bond data 274: ok 4596 # correct ring bond data 274: ok 4597 # correct ring bond data 274: ok 4598 # correct ring bond data 274: ok 4599 # correct ring bond data 274: ok 4600 # correct ring bond data 274: ok 4601 # correct ring bond data 274: ok 4602 # correct ring bond data 274: ok 4603 # correct ring bond data 274: ok 4604 # correct ring bond data 274: ok 4605 # correct ring bond data 274: ok 4606 # correct ring bond data 274: ok 4607 # correct ring bond data 274: ok 4608 # correct ring bond data 274: ok 4609 # correct ring bond data 274: ok 4610 # correct ring bond data 274: ok 4611 # SSSR size matches reference 274: ok 4612 # correct SSSR count 274: ok 4613 # ring membership passed 274: ok 4614 # correct SSSR count 274: ok 4615 # ring membership passed 274: ok 4616 # correct SSSR count 274: ok 4617 # ring membership passed 274: ok 4618 # correct SSSR count 274: ok 4619 # ring membership passed 274: ok 4620 # correct SSSR count 274: ok 4621 # ring membership passed 274: ok 4622 # correct SSSR count 274: ok 4623 # ring membership passed 274: ok 4624 # correct SSSR count 274: ok 4625 # ring membership passed 274: ok 4626 # correct SSSR count 274: ok 4627 # ring membership passed 274: ok 4628 # correct SSSR count 274: ok 4629 # ring membership passed 274: ok 4630 # correct SSSR count 274: ok 4631 # ring membership passed 274: ok 4632 # correct SSSR count 274: ok 4633 # ring membership passed 274: ok 4634 # correct SSSR count 274: ok 4635 # ring membership passed 274: ok 4636 # correct SSSR count 274: ok 4637 # ring membership passed 274: ok 4638 # correct SSSR count 274: ok 4639 # ring membership passed 274: ok 4640 # correct SSSR count 274: ok 4641 # ring membership passed 274: ok 4642 # correct SSSR count 274: ok 4643 # ring membership passed 274: ok 4644 # correct SSSR count 274: ok 4645 # ring membership passed 274: ok 4646 # correct SSSR count 274: ok 4647 # ring membership passed 274: ok 4648 # correct SSSR count 274: ok 4649 # ring membership passed 274: ok 4650 # correct ring bond data 274: ok 4651 # correct ring bond data 274: ok 4652 # correct ring bond data 274: ok 4653 # correct ring bond data 274: ok 4654 # correct ring bond data 274: ok 4655 # correct ring bond data 274: ok 4656 # correct ring bond data 274: ok 4657 # correct ring bond data 274: ok 4658 # correct ring bond data 274: ok 4659 # correct ring bond data 274: ok 4660 # correct ring bond data 274: ok 4661 # correct ring bond data 274: ok 4662 # correct ring bond data 274: ok 4663 # correct ring bond data 274: ok 4664 # correct ring bond data 274: ok 4665 # correct ring bond data 274: ok 4666 # correct ring bond data 274: ok 4667 # correct ring bond data 274: ok 4668 # correct ring bond data 274: ok 4669 # correct ring bond data 274: ok 4670 # correct ring bond data 274: ok 4671 # SSSR size matches reference 274: ok 4672 # correct SSSR count 274: ok 4673 # ring membership passed 274: ok 4674 # correct SSSR count 274: ok 4675 # ring membership passed 274: ok 4676 # correct SSSR count 274: ok 4677 # ring membership passed 274: ok 4678 # correct SSSR count 274: ok 4679 # ring membership passed 274: ok 4680 # correct SSSR count 274: ok 4681 # ring membership passed 274: ok 4682 # correct SSSR count 274: ok 4683 # ring membership passed 274: ok 4684 # correct SSSR count 274: ok 4685 # ring membership passed 274: ok 4686 # correct SSSR count 274: ok 4687 # ring membership passed 274: ok 4688 # correct SSSR count 274: ok 4689 # ring membership passed 274: ok 4690 # correct SSSR count 274: ok 4691 # ring membership passed 274: ok 4692 # correct SSSR count 274: ok 4693 # ring membership passed 274: ok 4694 # correct SSSR count 274: ok 4695 # ring membership passed 274: ok 4696 # correct SSSR count 274: ok 4697 # ring membership passed 274: ok 4698 # correct SSSR count 274: ok 4699 # ring membership passed 274: ok 4700 # correct SSSR count 274: ok 4701 # ring membership passed 274: ok 4702 # correct SSSR count 274: ok 4703 # ring membership passed 274: ok 4704 # correct SSSR count 274: ok 4705 # ring membership passed 274: ok 4706 # correct SSSR count 274: ok 4707 # ring membership passed 274: ok 4708 # correct SSSR count 274: ok 4709 # ring membership passed 274: ok 4710 # correct SSSR count 274: ok 4711 # ring membership passed 274: ok 4712 # correct ring bond data 274: ok 4713 # correct ring bond data 274: ok 4714 # correct ring bond data 274: ok 4715 # correct ring bond data 274: ok 4716 # correct ring bond data 274: ok 4717 # correct ring bond data 274: ok 4718 # correct ring bond data 274: ok 4719 # correct ring bond data 274: ok 4720 # correct ring bond data 274: ok 4721 # correct ring bond data 274: ok 4722 # correct ring bond data 274: ok 4723 # correct ring bond data 274: ok 4724 # correct ring bond data 274: ok 4725 # correct ring bond data 274: ok 4726 # correct ring bond data 274: ok 4727 # correct ring bond data 274: ok 4728 # correct ring bond data 274: ok 4729 # correct ring bond data 274: ok 4730 # correct ring bond data 274: ok 4731 # correct ring bond data 274: ok 4732 # correct ring bond data 274: ok 4733 # SSSR size matches reference 274: ok 4734 # correct SSSR count 274: ok 4735 # ring membership passed 274: ok 4736 # correct SSSR count 274: ok 4737 # ring membership passed 274: ok 4738 # correct SSSR count 274: ok 4739 # ring membership passed 274: ok 4740 # correct SSSR count 274: ok 4741 # ring membership passed 274: ok 4742 # correct SSSR count 274: ok 4743 # ring membership passed 274: ok 4744 # correct SSSR count 274: ok 4745 # ring membership passed 274: ok 4746 # correct SSSR count 274: ok 4747 # ring membership passed 274: ok 4748 # correct SSSR count 274: ok 4749 # ring membership passed 274: ok 4750 # correct SSSR count 274: ok 4751 # ring membership passed 274: ok 4752 # correct SSSR count 274: ok 4753 # ring membership passed 274: ok 4754 # correct SSSR count 274: ok 4755 # ring membership passed 274: ok 4756 # correct SSSR count 274: ok 4757 # ring membership passed 274: ok 4758 # correct SSSR count 274: ok 4759 # ring membership passed 274: ok 4760 # correct SSSR count 274: ok 4761 # ring membership passed 274: ok 4762 # correct SSSR count 274: ok 4763 # ring membership passed 274: ok 4764 # correct SSSR count 274: ok 4765 # ring membership passed 274: ok 4766 # correct SSSR count 274: ok 4767 # ring membership passed 274: ok 4768 # correct SSSR count 274: ok 4769 # ring membership passed 274: ok 4770 # correct SSSR count 274: ok 4771 # ring membership passed 274: ok 4772 # correct SSSR count 274: ok 4773 # ring membership passed 274: ok 4774 # correct ring bond data 274: ok 4775 # correct ring bond data 274: ok 4776 # correct ring bond data 274: ok 4777 # correct ring bond data 274: ok 4778 # correct ring bond data 274: ok 4779 # correct ring bond data 274: ok 4780 # correct ring bond data 274: ok 4781 # correct ring bond data 274: ok 4782 # correct ring bond data 274: ok 4783 # correct ring bond data 274: ok 4784 # correct ring bond data 274: ok 4785 # correct ring bond data 274: ok 4786 # correct ring bond data 274: ok 4787 # correct ring bond data 274: ok 4788 # correct ring bond data 274: ok 4789 # correct ring bond data 274: ok 4790 # correct ring bond data 274: ok 4791 # correct ring bond data 274: ok 4792 # correct ring bond data 274: ok 4793 # correct ring bond data 274: ok 4794 # correct ring bond data 274: ok 4795 # SSSR size matches reference 274: ok 4796 # correct SSSR count 274: ok 4797 # ring membership passed 274: ok 4798 # correct SSSR count 274: ok 4799 # ring membership passed 274: ok 4800 # correct SSSR count 274: ok 4801 # ring membership passed 274: ok 4802 # correct SSSR count 274: ok 4803 # ring membership passed 274: ok 4804 # correct SSSR count 274: ok 4805 # ring membership passed 274: ok 4806 # correct SSSR count 274: ok 4807 # ring membership passed 274: ok 4808 # correct SSSR count 274: ok 4809 # ring membership passed 274: ok 4810 # correct SSSR count 274: ok 4811 # ring membership passed 274: ok 4812 # correct SSSR count 274: ok 4813 # ring membership passed 274: ok 4814 # correct SSSR count 274: ok 4815 # ring membership passed 274: ok 4816 # correct SSSR count 274: ok 4817 # ring membership passed 274: ok 4818 # correct SSSR count 274: ok 4819 # ring membership passed 274: ok 4820 # correct SSSR count 274: ok 4821 # ring membership passed 274: ok 4822 # correct SSSR count 274: ok 4823 # ring membership passed 274: ok 4824 # correct SSSR count 274: ok 4825 # ring membership passed 274: ok 4826 # correct SSSR count 274: ok 4827 # ring membership passed 274: ok 4828 # correct SSSR count 274: ok 4829 # ring membership passed 274: ok 4830 # correct SSSR count 274: ok 4831 # ring membership passed 274: ok 4832 # correct SSSR count 274: ok 4833 # ring membership passed 274: ok 4834 # correct SSSR count 274: ok 4835 # ring membership passed 274: ok 4836 # correct ring bond data 274: ok 4837 # correct ring bond data 274: ok 4838 # correct ring bond data 274: ok 4839 # correct ring bond data 274: ok 4840 # correct ring bond data 274: ok 4841 # correct ring bond data 274: ok 4842 # correct ring bond data 274: ok 4843 # correct ring bond data 274: ok 4844 # correct ring bond data 274: ok 4845 # correct ring bond data 274: ok 4846 # correct ring bond data 274: ok 4847 # correct ring bond data 274: ok 4848 # correct ring bond data 274: ok 4849 # correct ring bond data 274: ok 4850 # correct ring bond data 274: ok 4851 # SSSR size matches reference 274: ok 4852 # correct SSSR count 274: ok 4853 # ring membership passed 274: ok 4854 # correct SSSR count 274: ok 4855 # ring membership passed 274: ok 4856 # correct SSSR count 274: ok 4857 # ring membership passed 274: ok 4858 # correct SSSR count 274: ok 4859 # ring membership passed 274: ok 4860 # correct SSSR count 274: ok 4861 # ring membership passed 274: ok 4862 # correct SSSR count 274: ok 4863 # ring membership passed 274: ok 4864 # correct SSSR count 274: ok 4865 # ring membership passed 274: ok 4866 # correct SSSR count 274: ok 4867 # ring membership passed 274: ok 4868 # correct SSSR count 274: ok 4869 # ring membership passed 274: ok 4870 # correct SSSR count 274: ok 4871 # ring membership passed 274: ok 4872 # correct SSSR count 274: ok 4873 # ring membership passed 274: ok 4874 # correct SSSR count 274: ok 4875 # ring membership passed 274: ok 4876 # correct SSSR count 274: ok 4877 # ring membership passed 274: ok 4878 # correct SSSR count 274: ok 4879 # ring membership passed 274: ok 4880 # correct ring bond data 274: ok 4881 # correct ring bond data 274: ok 4882 # correct ring bond data 274: ok 4883 # correct ring bond data 274: ok 4884 # correct ring bond data 274: ok 4885 # correct ring bond data 274: ok 4886 # correct ring bond data 274: ok 4887 # correct ring bond data 274: ok 4888 # correct ring bond data 274: ok 4889 # correct ring bond data 274: ok 4890 # correct ring bond data 274: ok 4891 # correct ring bond data 274: ok 4892 # correct ring bond data 274: ok 4893 # correct ring bond data 274: ok 4894 # correct ring bond data 274: ok 4895 # correct ring bond data 274: ok 4896 # correct ring bond data 274: ok 4897 # correct ring bond data 274: ok 4898 # SSSR size matches reference 274: ok 4899 # correct SSSR count 274: ok 4900 # ring membership passed 274: ok 4901 # correct SSSR count 274: ok 4902 # ring membership passed 274: ok 4903 # correct SSSR count 274: ok 4904 # ring membership passed 274: ok 4905 # correct SSSR count 274: ok 4906 # ring membership passed 274: ok 4907 # correct SSSR count 274: ok 4908 # ring membership passed 274: ok 4909 # correct SSSR count 274: ok 4910 # ring membership passed 274: ok 4911 # correct SSSR count 274: ok 4912 # ring membership passed 274: ok 4913 # correct SSSR count 274: ok 4914 # ring membership passed 274: ok 4915 # correct SSSR count 274: ok 4916 # ring membership passed 274: ok 4917 # correct SSSR count 274: ok 4918 # ring membership passed 274: ok 4919 # correct SSSR count 274: ok 4920 # ring membership passed 274: ok 4921 # correct SSSR count 274: ok 4922 # ring membership passed 274: ok 4923 # correct SSSR count 274: ok 4924 # ring membership passed 274: ok 4925 # correct SSSR count 274: ok 4926 # ring membership passed 274: ok 4927 # correct SSSR count 274: ok 4928 # ring membership passed 274: ok 4929 # correct SSSR count 274: ok 4930 # ring membership passed 274: ok 4931 # correct SSSR count 274: ok 4932 # ring membership passed 274: ok 4933 # correct ring bond data 274: ok 4934 # correct ring bond data 274: ok 4935 # correct ring bond data 274: ok 4936 # correct ring bond data 274: ok 4937 # correct ring bond data 274: ok 4938 # correct ring bond data 274: ok 4939 # correct ring bond data 274: ok 4940 # correct ring bond data 274: ok 4941 # correct ring bond data 274: ok 4942 # correct ring bond data 274: ok 4943 # correct ring bond data 274: ok 4944 # correct ring bond data 274: ok 4945 # correct ring bond data 274: ok 4946 # correct ring bond data 274: ok 4947 # correct ring bond data 274: ok 4948 # correct ring bond data 274: ok 4949 # correct ring bond data 274: ok 4950 # correct ring bond data 274: ok 4951 # SSSR size matches reference 274: ok 4952 # correct SSSR count 274: ok 4953 # ring membership passed 274: ok 4954 # correct SSSR count 274: ok 4955 # ring membership passed 274: ok 4956 # correct SSSR count 274: ok 4957 # ring membership passed 274: ok 4958 # correct SSSR count 274: ok 4959 # ring membership passed 274: ok 4960 # correct SSSR count 274: ok 4961 # ring membership passed 274: ok 4962 # correct SSSR count 274: ok 4963 # ring membership passed 274: ok 4964 # correct SSSR count 274: ok 4965 # ring membership passed 274: ok 4966 # correct SSSR count 274: ok 4967 # ring membership passed 274: ok 4968 # correct SSSR count 274: ok 4969 # ring membership passed 274: ok 4970 # correct SSSR count 274: ok 4971 # ring membership passed 274: ok 4972 # correct SSSR count 274: ok 4973 # ring membership passed 274: ok 4974 # correct SSSR count 274: ok 4975 # ring membership passed 274: ok 4976 # correct SSSR count 274: ok 4977 # ring membership passed 274: ok 4978 # correct SSSR count 274: ok 4979 # ring membership passed 274: ok 4980 # correct SSSR count 274: ok 4981 # ring membership passed 274: ok 4982 # correct SSSR count 274: ok 4983 # ring membership passed 274: ok 4984 # correct SSSR count 274: ok 4985 # ring membership passed 274: ok 4986 # correct ring bond data 274: ok 4987 # correct ring bond data 274: ok 4988 # correct ring bond data 274: ok 4989 # correct ring bond data 274: ok 4990 # correct ring bond data 274: ok 4991 # correct ring bond data 274: ok 4992 # correct ring bond data 274: ok 4993 # correct ring bond data 274: ok 4994 # correct ring bond data 274: ok 4995 # correct ring bond data 274: ok 4996 # correct ring bond data 274: ok 4997 # correct ring bond data 274: ok 4998 # correct ring bond data 274: ok 4999 # correct ring bond data 274: ok 5000 # correct ring bond data 274: ok 5001 # correct ring bond data 274: ok 5002 # correct ring bond data 274: ok 5003 # correct ring bond data 274: ok 5004 # correct ring bond data 274: ok 5005 # correct ring bond data 274: ok 5006 # SSSR size matches reference 274: ok 5007 # correct SSSR count 274: ok 5008 # ring membership passed 274: ok 5009 # correct SSSR count 274: ok 5010 # ring membership passed 274: ok 5011 # correct SSSR count 274: ok 5012 # ring membership passed 274: ok 5013 # correct SSSR count 274: ok 5014 # ring membership passed 274: ok 5015 # correct SSSR count 274: ok 5016 # ring membership passed 274: ok 5017 # correct SSSR count 274: ok 5018 # ring membership passed 274: ok 5019 # correct SSSR count 274: ok 5020 # ring membership passed 274: ok 5021 # correct SSSR count 274: ok 5022 # ring membership passed 274: ok 5023 # correct SSSR count 274: ok 5024 # ring membership passed 274: ok 5025 # correct SSSR count 274: ok 5026 # ring membership passed 274: ok 5027 # correct SSSR count 274: ok 5028 # ring membership passed 274: ok 5029 # correct SSSR count 274: ok 5030 # ring membership passed 274: ok 5031 # correct SSSR count 274: ok 5032 # ring membership passed 274: ok 5033 # correct SSSR count 274: ok 5034 # ring membership passed 274: ok 5035 # correct SSSR count 274: ok 5036 # ring membership passed 274: ok 5037 # correct SSSR count 274: ok 5038 # ring membership passed 274: ok 5039 # correct SSSR count 274: ok 5040 # ring membership passed 274: ok 5041 # correct SSSR count 274: ok 5042 # ring membership passed 274: ok 5043 # correct SSSR count 274: ok 5044 # ring membership passed 274: ok 5045 # correct ring bond data 274: ok 5046 # correct ring bond data 274: ok 5047 # correct ring bond data 274: ok 5048 # correct ring bond data 274: ok 5049 # correct ring bond data 274: ok 5050 # correct ring bond data 274: ok 5051 # correct ring bond data 274: ok 5052 # correct ring bond data 274: ok 5053 # correct ring bond data 274: ok 5054 # correct ring bond data 274: ok 5055 # correct ring bond data 274: ok 5056 # correct ring bond data 274: ok 5057 # correct ring bond data 274: ok 5058 # correct ring bond data 274: ok 5059 # correct ring bond data 274: ok 5060 # correct ring bond data 274: ok 5061 # correct ring bond data 274: ok 5062 # correct ring bond data 274: ok 5063 # correct ring bond data 274: ok 5064 # correct ring bond data 274: ok 5065 # correct ring bond data 274: ok 5066 # SSSR size matches reference 274: ok 5067 # correct SSSR count 274: ok 5068 # ring membership passed 274: ok 5069 # correct SSSR count 274: ok 5070 # ring membership passed 274: ok 5071 # correct SSSR count 274: ok 5072 # ring membership passed 274: ok 5073 # correct SSSR count 274: ok 5074 # ring membership passed 274: ok 5075 # correct SSSR count 274: ok 5076 # ring membership passed 274: ok 5077 # correct SSSR count 274: ok 5078 # ring membership passed 274: ok 5079 # correct SSSR count 274: ok 5080 # ring membership passed 274: ok 5081 # correct SSSR count 274: ok 5082 # ring membership passed 274: ok 5083 # correct SSSR count 274: ok 5084 # ring membership passed 274: ok 5085 # correct SSSR count 274: ok 5086 # ring membership passed 274: ok 5087 # correct SSSR count 274: ok 5088 # ring membership passed 274: ok 5089 # correct SSSR count 274: ok 5090 # ring membership passed 274: ok 5091 # correct SSSR count 274: ok 5092 # ring membership passed 274: ok 5093 # correct SSSR count 274: ok 5094 # ring membership passed 274: ok 5095 # correct SSSR count 274: ok 5096 # ring membership passed 274: ok 5097 # correct SSSR count 274: ok 5098 # ring membership passed 274: ok 5099 # correct SSSR count 274: ok 5100 # ring membership passed 274: ok 5101 # correct SSSR count 274: ok 5102 # ring membership passed 274: ok 5103 # correct SSSR count 274: ok 5104 # ring membership passed 274: ok 5105 # correct SSSR count 274: ok 5106 # ring membership passed 274: ok 5107 # correct ring bond data 274: ok 5108 # correct ring bond data 274: ok 5109 # correct ring bond data 274: ok 5110 # correct ring bond data 274: ok 5111 # correct ring bond data 274: ok 5112 # correct ring bond data 274: ok 5113 # correct ring bond data 274: ok 5114 # correct ring bond data 274: ok 5115 # correct ring bond data 274: ok 5116 # correct ring bond data 274: ok 5117 # correct ring bond data 274: ok 5118 # correct ring bond data 274: ok 5119 # correct ring bond data 274: ok 5120 # correct ring bond data 274: ok 5121 # correct ring bond data 274: ok 5122 # correct ring bond data 274: ok 5123 # correct ring bond data 274: ok 5124 # correct ring bond data 274: ok 5125 # correct ring bond data 274: ok 5126 # SSSR size matches reference 274: ok 5127 # correct SSSR count 274: ok 5128 # ring membership passed 274: ok 5129 # correct SSSR count 274: ok 5130 # ring membership passed 274: ok 5131 # correct SSSR count 274: ok 5132 # ring membership passed 274: ok 5133 # correct SSSR count 274: ok 5134 # ring membership passed 274: ok 5135 # correct SSSR count 274: ok 5136 # ring membership passed 274: ok 5137 # correct SSSR count 274: ok 5138 # ring membership passed 274: ok 5139 # correct SSSR count 274: ok 5140 # ring membership passed 274: ok 5141 # correct SSSR count 274: ok 5142 # ring membership passed 274: ok 5143 # correct SSSR count 274: ok 5144 # ring membership passed 274: ok 5145 # correct SSSR count 274: ok 5146 # ring membership passed 274: ok 5147 # correct SSSR count 274: ok 5148 # ring membership passed 274: ok 5149 # correct SSSR count 274: ok 5150 # ring membership passed 274: ok 5151 # correct SSSR count 274: ok 5152 # ring membership passed 274: ok 5153 # correct SSSR count 274: ok 5154 # ring membership passed 274: ok 5155 # correct SSSR count 274: ok 5156 # ring membership passed 274: ok 5157 # correct SSSR count 274: ok 5158 # ring membership passed 274: ok 5159 # correct SSSR count 274: ok 5160 # ring membership passed 274: ok 5161 # correct SSSR count 274: ok 5162 # ring membership passed 274: ok 5163 # correct ring bond data 274: ok 5164 # correct ring bond data 274: ok 5165 # correct ring bond data 274: ok 5166 # correct ring bond data 274: ok 5167 # correct ring bond data 274: ok 5168 # correct ring bond data 274: ok 5169 # correct ring bond data 274: ok 5170 # correct ring bond data 274: ok 5171 # correct ring bond data 274: ok 5172 # correct ring bond data 274: ok 5173 # correct ring bond data 274: ok 5174 # correct ring bond data 274: ok 5175 # correct ring bond data 274: ok 5176 # correct ring bond data 274: ok 5177 # correct ring bond data 274: ok 5178 # correct ring bond data 274: ok 5179 # correct ring bond data 274: ok 5180 # correct ring bond data 274: ok 5181 # correct ring bond data 274: ok 5182 # SSSR size matches reference 274: ok 5183 # correct SSSR count 274: ok 5184 # ring membership passed 274: ok 5185 # correct SSSR count 274: ok 5186 # ring membership passed 274: ok 5187 # correct SSSR count 274: ok 5188 # ring membership passed 274: ok 5189 # correct SSSR count 274: ok 5190 # ring membership passed 274: ok 5191 # correct SSSR count 274: ok 5192 # ring membership passed 274: ok 5193 # correct SSSR count 274: ok 5194 # ring membership passed 274: ok 5195 # correct SSSR count 274: ok 5196 # ring membership passed 274: ok 5197 # correct SSSR count 274: ok 5198 # ring membership passed 274: ok 5199 # correct SSSR count 274: ok 5200 # ring membership passed 274: ok 5201 # correct SSSR count 274: ok 5202 # ring membership passed 274: ok 5203 # correct SSSR count 274: ok 5204 # ring membership passed 274: ok 5205 # correct SSSR count 274: ok 5206 # ring membership passed 274: ok 5207 # correct SSSR count 274: ok 5208 # ring membership passed 274: ok 5209 # correct SSSR count 274: ok 5210 # ring membership passed 274: ok 5211 # correct SSSR count 274: ok 5212 # ring membership passed 274: ok 5213 # correct SSSR count 274: ok 5214 # ring membership passed 274: ok 5215 # correct SSSR count 274: ok 5216 # ring membership passed 274: ok 5217 # correct SSSR count 274: ok 5218 # ring membership passed 274: ok 5219 # correct ring bond data 274: ok 5220 # correct ring bond data 274: ok 5221 # correct ring bond data 274: ok 5222 # correct ring bond data 274: ok 5223 # correct ring bond data 274: ok 5224 # correct ring bond data 274: ok 5225 # correct ring bond data 274: ok 5226 # correct ring bond data 274: ok 5227 # correct ring bond data 274: ok 5228 # correct ring bond data 274: ok 5229 # correct ring bond data 274: ok 5230 # correct ring bond data 274: ok 5231 # correct ring bond data 274: ok 5232 # correct ring bond data 274: ok 5233 # correct ring bond data 274: ok 5234 # correct ring bond data 274: ok 5235 # correct ring bond data 274: ok 5236 # correct ring bond data 274: ok 5237 # correct ring bond data 274: ok 5238 # correct ring bond data 274: ok 5239 # SSSR size matches reference 274: ok 5240 # correct SSSR count 274: ok 5241 # ring membership passed 274: ok 5242 # correct SSSR count 274: ok 5243 # ring membership passed 274: ok 5244 # correct SSSR count 274: ok 5245 # ring membership passed 274: ok 5246 # correct SSSR count 274: ok 5247 # ring membership passed 274: ok 5248 # correct SSSR count 274: ok 5249 # ring membership passed 274: ok 5250 # correct SSSR count 274: ok 5251 # ring membership passed 274: ok 5252 # correct SSSR count 274: ok 5253 # ring membership passed 274: ok 5254 # correct SSSR count 274: ok 5255 # ring membership passed 274: ok 5256 # correct SSSR count 274: ok 5257 # ring membership passed 274: ok 5258 # correct SSSR count 274: ok 5259 # ring membership passed 274: ok 5260 # correct SSSR count 274: ok 5261 # ring membership passed 274: ok 5262 # correct SSSR count 274: ok 5263 # ring membership passed 274: ok 5264 # correct SSSR count 274: ok 5265 # ring membership passed 274: ok 5266 # correct SSSR count 274: ok 5267 # ring membership passed 274: ok 5268 # correct SSSR count 274: ok 5269 # ring membership passed 274: ok 5270 # correct SSSR count 274: ok 5271 # ring membership passed 274: ok 5272 # correct SSSR count 274: ok 5273 # ring membership passed 274: ok 5274 # correct SSSR count 274: ok 5275 # ring membership passed 274: ok 5276 # correct SSSR count 274: ok 5277 # ring membership passed 274: ok 5278 # correct ring bond data 274: ok 5279 # correct ring bond data 274: ok 5280 # correct ring bond data 274: ok 5281 # correct ring bond data 274: ok 5282 # correct ring bond data 274: ok 5283 # correct ring bond data 274: ok 5284 # correct ring bond data 274: ok 5285 # correct ring bond data 274: ok 5286 # correct ring bond data 274: ok 5287 # correct ring bond data 274: ok 5288 # correct ring bond data 274: ok 5289 # correct ring bond data 274: ok 5290 # correct ring bond data 274: ok 5291 # correct ring bond data 274: ok 5292 # correct ring bond data 274: ok 5293 # correct ring bond data 274: ok 5294 # correct ring bond data 274: ok 5295 # correct ring bond data 274: ok 5296 # correct ring bond data 274: ok 5297 # SSSR size matches reference 274: ok 5298 # correct SSSR count 274: ok 5299 # ring membership passed 274: ok 5300 # correct SSSR count 274: ok 5301 # ring membership passed 274: ok 5302 # correct SSSR count 274: ok 5303 # ring membership passed 274: ok 5304 # correct SSSR count 274: ok 5305 # ring membership passed 274: ok 5306 # correct SSSR count 274: ok 5307 # ring membership passed 274: ok 5308 # correct SSSR count 274: ok 5309 # ring membership passed 274: ok 5310 # correct SSSR count 274: ok 5311 # ring membership passed 274: ok 5312 # correct SSSR count 274: ok 5313 # ring membership passed 274: ok 5314 # correct SSSR count 274: ok 5315 # ring membership passed 274: ok 5316 # correct SSSR count 274: ok 5317 # ring membership passed 274: ok 5318 # correct SSSR count 274: ok 5319 # ring membership passed 274: ok 5320 # correct SSSR count 274: ok 5321 # ring membership passed 274: ok 5322 # correct SSSR count 274: ok 5323 # ring membership passed 274: ok 5324 # correct SSSR count 274: ok 5325 # ring membership passed 274: ok 5326 # correct SSSR count 274: ok 5327 # ring membership passed 274: ok 5328 # correct SSSR count 274: ok 5329 # ring membership passed 274: ok 5330 # correct SSSR count 274: ok 5331 # ring membership passed 274: ok 5332 # correct SSSR count 274: ok 5333 # ring membership passed 274: ok 5334 # correct ring bond data 274: ok 5335 # correct ring bond data 274: ok 5336 # correct ring bond data 274: ok 5337 # correct ring bond data 274: ok 5338 # correct ring bond data 274: ok 5339 # correct ring bond data 274: ok 5340 # correct ring bond data 274: ok 5341 # correct ring bond data 274: ok 5342 # correct ring bond data 274: ok 5343 # correct ring bond data 274: ok 5344 # correct ring bond data 274: ok 5345 # correct ring bond data 274: ok 5346 # correct ring bond data 274: ok 5347 # correct ring bond data 274: ok 5348 # correct ring bond data 274: ok 5349 # correct ring bond data 274: ok 5350 # correct ring bond data 274: ok 5351 # correct ring bond data 274: ok 5352 # correct ring bond data 274: ok 5353 # correct ring bond data 274: ok 5354 # correct ring bond data 274: ok 5355 # SSSR size matches reference 274: ok 5356 # correct SSSR count 274: ok 5357 # ring membership passed 274: ok 5358 # correct SSSR count 274: ok 5359 # ring membership passed 274: ok 5360 # correct SSSR count 274: ok 5361 # ring membership passed 274: ok 5362 # correct SSSR count 274: ok 5363 # ring membership passed 274: ok 5364 # correct SSSR count 274: ok 5365 # ring membership passed 274: ok 5366 # correct SSSR count 274: ok 5367 # ring membership passed 274: ok 5368 # correct SSSR count 274: ok 5369 # ring membership passed 274: ok 5370 # correct SSSR count 274: ok 5371 # ring membership passed 274: ok 5372 # correct SSSR count 274: ok 5373 # ring membership passed 274: ok 5374 # correct SSSR count 274: ok 5375 # ring membership passed 274: ok 5376 # correct SSSR count 274: ok 5377 # ring membership passed 274: ok 5378 # correct SSSR count 274: ok 5379 # ring membership passed 274: ok 5380 # correct SSSR count 274: ok 5381 # ring membership passed 274: ok 5382 # correct SSSR count 274: ok 5383 # ring membership passed 274: ok 5384 # correct SSSR count 274: ok 5385 # ring membership passed 274: ok 5386 # correct SSSR count 274: ok 5387 # ring membership passed 274: ok 5388 # correct SSSR count 274: ok 5389 # ring membership passed 274: ok 5390 # correct SSSR count 274: ok 5391 # ring membership passed 274: ok 5392 # correct SSSR count 274: ok 5393 # ring membership passed 274: ok 5394 # correct SSSR count 274: ok 5395 # ring membership passed 274: ok 5396 # correct ring bond data 274: ok 5397 # correct ring bond data 274: ok 5398 # correct ring bond data 274: ok 5399 # correct ring bond data 274: ok 5400 # correct ring bond data 274: ok 5401 # correct ring bond data 274: ok 5402 # correct ring bond data 274: ok 5403 # correct ring bond data 274: ok 5404 # correct ring bond data 274: ok 5405 # correct ring bond data 274: ok 5406 # correct ring bond data 274: ok 5407 # correct ring bond data 274: ok 5408 # SSSR size matches reference 274: ok 5409 # correct SSSR count 274: ok 5410 # ring membership passed 274: ok 5411 # correct SSSR count 274: ok 5412 # ring membership passed 274: ok 5413 # correct SSSR count 274: ok 5414 # ring membership passed 274: ok 5415 # correct SSSR count 274: ok 5416 # ring membership passed 274: ok 5417 # correct SSSR count 274: ok 5418 # ring membership passed 274: ok 5419 # correct SSSR count 274: ok 5420 # ring membership passed 274: ok 5421 # correct SSSR count 274: ok 5422 # ring membership passed 274: ok 5423 # correct SSSR count 274: ok 5424 # ring membership passed 274: ok 5425 # correct SSSR count 274: ok 5426 # ring membership passed 274: ok 5427 # correct SSSR count 274: ok 5428 # ring membership passed 274: ok 5429 # correct SSSR count 274: ok 5430 # ring membership passed 274: ok 5431 # correct SSSR count 274: ok 5432 # ring membership passed 274: ok 5433 # correct ring bond data 274: ok 5434 # correct ring bond data 274: ok 5435 # correct ring bond data 274: ok 5436 # correct ring bond data 274: ok 5437 # correct ring bond data 274: ok 5438 # correct ring bond data 274: ok 5439 # correct ring bond data 274: ok 5440 # correct ring bond data 274: ok 5441 # correct ring bond data 274: ok 5442 # correct ring bond data 274: ok 5443 # correct ring bond data 274: ok 5444 # correct ring bond data 274: ok 5445 # SSSR size matches reference 274: ok 5446 # correct SSSR count 274: ok 5447 # ring membership passed 274: ok 5448 # correct SSSR count 274: ok 5449 # ring membership passed 274: ok 5450 # correct SSSR count 274: ok 5451 # ring membership passed 274: ok 5452 # correct SSSR count 274: ok 5453 # ring membership passed 274: ok 5454 # correct SSSR count 274: ok 5455 # ring membership passed 274: ok 5456 # correct SSSR count 274: ok 5457 # ring membership passed 274: ok 5458 # correct SSSR count 274: ok 5459 # ring membership passed 274: ok 5460 # correct SSSR count 274: ok 5461 # ring membership passed 274: ok 5462 # correct SSSR count 274: ok 5463 # ring membership passed 274: ok 5464 # correct SSSR count 274: ok 5465 # ring membership passed 274: ok 5466 # correct SSSR count 274: ok 5467 # ring membership passed 274: ok 5468 # correct SSSR count 274: ok 5469 # ring membership passed 274: ok 5470 # correct ring bond data 274: ok 5471 # correct ring bond data 274: ok 5472 # correct ring bond data 274: ok 5473 # correct ring bond data 274: ok 5474 # correct ring bond data 274: ok 5475 # correct ring bond data 274: ok 5476 # correct ring bond data 274: ok 5477 # correct ring bond data 274: ok 5478 # correct ring bond data 274: ok 5479 # correct ring bond data 274: ok 5480 # correct ring bond data 274: ok 5481 # correct ring bond data 274: ok 5482 # correct ring bond data 274: ok 5483 # correct ring bond data 274: ok 5484 # correct ring bond data 274: ok 5485 # correct ring bond data 274: ok 5486 # correct ring bond data 274: ok 5487 # correct ring bond data 274: ok 5488 # correct ring bond data 274: ok 5489 # correct ring bond data 274: ok 5490 # correct ring bond data 274: ok 5491 # SSSR size matches reference 274: ok 5492 # correct SSSR count 274: ok 5493 # ring membership passed 274: ok 5494 # correct SSSR count 274: ok 5495 # ring membership passed 274: ok 5496 # correct SSSR count 274: ok 5497 # ring membership passed 274: ok 5498 # correct SSSR count 274: ok 5499 # ring membership passed 274: ok 5500 # correct SSSR count 274: ok 5501 # ring membership passed 274: ok 5502 # correct SSSR count 274: ok 5503 # ring membership passed 274: ok 5504 # correct SSSR count 274: ok 5505 # ring membership passed 274: ok 5506 # correct SSSR count 274: ok 5507 # ring membership passed 274: ok 5508 # correct SSSR count 274: ok 5509 # ring membership passed 274: ok 5510 # correct SSSR count 274: ok 5511 # ring membership passed 274: ok 5512 # correct SSSR count 274: ok 5513 # ring membership passed 274: ok 5514 # correct SSSR count 274: ok 5515 # ring membership passed 274: ok 5516 # correct SSSR count 274: ok 5517 # ring membership passed 274: ok 5518 # correct SSSR count 274: ok 5519 # ring membership passed 274: ok 5520 # correct SSSR count 274: ok 5521 # ring membership passed 274: ok 5522 # correct SSSR count 274: ok 5523 # ring membership passed 274: ok 5524 # correct SSSR count 274: ok 5525 # ring membership passed 274: ok 5526 # correct SSSR count 274: ok 5527 # ring membership passed 274: ok 5528 # correct SSSR count 274: ok 5529 # ring membership passed 274: ok 5530 # correct SSSR count 274: ok 5531 # ring membership passed 274: ok 5532 # correct ring bond data 274: ok 5533 # correct ring bond data 274: ok 5534 # correct ring bond data 274: ok 5535 # correct ring bond data 274: ok 5536 # correct ring bond data 274: ok 5537 # correct ring bond data 274: ok 5538 # correct ring bond data 274: ok 5539 # correct ring bond data 274: ok 5540 # correct ring bond data 274: ok 5541 # correct ring bond data 274: ok 5542 # correct ring bond data 274: ok 5543 # correct ring bond data 274: ok 5544 # correct ring bond data 274: ok 5545 # correct ring bond data 274: ok 5546 # correct ring bond data 274: ok 5547 # correct ring bond data 274: ok 5548 # correct ring bond data 274: ok 5549 # correct ring bond data 274: ok 5550 # correct ring bond data 274: ok 5551 # correct ring bond data 274: ok 5552 # correct ring bond data 274: ok 5553 # SSSR size matches reference 274: ok 5554 # correct SSSR count 274: ok 5555 # ring membership passed 274: ok 5556 # correct SSSR count 274: ok 5557 # ring membership passed 274: ok 5558 # correct SSSR count 274: ok 5559 # ring membership passed 274: ok 5560 # correct SSSR count 274: ok 5561 # ring membership passed 274: ok 5562 # correct SSSR count 274: ok 5563 # ring membership passed 274: ok 5564 # correct SSSR count 274: ok 5565 # ring membership passed 274: ok 5566 # correct SSSR count 274: ok 5567 # ring membership passed 274: ok 5568 # correct SSSR count 274: ok 5569 # ring membership passed 274: ok 5570 # correct SSSR count 274: ok 5571 # ring membership passed 274: ok 5572 # correct SSSR count 274: ok 5573 # ring membership passed 274: ok 5574 # correct SSSR count 274: ok 5575 # ring membership passed 274: ok 5576 # correct SSSR count 274: ok 5577 # ring membership passed 274: ok 5578 # correct SSSR count 274: ok 5579 # ring membership passed 274: ok 5580 # correct SSSR count 274: ok 5581 # ring membership passed 274: ok 5582 # correct SSSR count 274: ok 5583 # ring membership passed 274: ok 5584 # correct SSSR count 274: ok 5585 # ring membership passed 274: ok 5586 # correct SSSR count 274: ok 5587 # ring membership passed 274: ok 5588 # correct SSSR count 274: ok 5589 # ring membership passed 274: ok 5590 # correct SSSR count 274: ok 5591 # ring membership passed 274: ok 5592 # correct SSSR count 274: ok 5593 # ring membership passed 274: ok 5594 # correct ring bond data 274: ok 5595 # correct ring bond data 274: ok 5596 # correct ring bond data 274: ok 5597 # correct ring bond data 274: ok 5598 # correct ring bond data 274: ok 5599 # correct ring bond data 274: ok 5600 # correct ring bond data 274: ok 5601 # correct ring bond data 274: ok 5602 # correct ring bond data 274: ok 5603 # correct ring bond data 274: ok 5604 # correct ring bond data 274: ok 5605 # correct ring bond data 274: ok 5606 # correct ring bond data 274: ok 5607 # correct ring bond data 274: ok 5608 # correct ring bond data 274: ok 5609 # SSSR size matches reference 274: ok 5610 # correct SSSR count 274: ok 5611 # ring membership passed 274: ok 5612 # correct SSSR count 274: ok 5613 # ring membership passed 274: ok 5614 # correct SSSR count 274: ok 5615 # ring membership passed 274: ok 5616 # correct SSSR count 274: ok 5617 # ring membership passed 274: ok 5618 # correct SSSR count 274: ok 5619 # ring membership passed 274: ok 5620 # correct SSSR count 274: ok 5621 # ring membership passed 274: ok 5622 # correct SSSR count 274: ok 5623 # ring membership passed 274: ok 5624 # correct SSSR count 274: ok 5625 # ring membership passed 274: ok 5626 # correct SSSR count 274: ok 5627 # ring membership passed 274: ok 5628 # correct SSSR count 274: ok 5629 # ring membership passed 274: ok 5630 # correct SSSR count 274: ok 5631 # ring membership passed 274: ok 5632 # correct SSSR count 274: ok 5633 # ring membership passed 274: ok 5634 # correct SSSR count 274: ok 5635 # ring membership passed 274: ok 5636 # correct SSSR count 274: ok 5637 # ring membership passed 274: ok 5638 # correct SSSR count 274: ok 5639 # ring membership passed 274: ok 5640 # correct ring bond data 274: ok 5641 # correct ring bond data 274: ok 5642 # correct ring bond data 274: ok 5643 # correct ring bond data 274: ok 5644 # correct ring bond data 274: ok 5645 # correct ring bond data 274: ok 5646 # correct ring bond data 274: ok 5647 # correct ring bond data 274: ok 5648 # correct ring bond data 274: ok 5649 # correct ring bond data 274: ok 5650 # correct ring bond data 274: ok 5651 # correct ring bond data 274: ok 5652 # correct ring bond data 274: ok 5653 # correct ring bond data 274: ok 5654 # correct ring bond data 274: ok 5655 # correct ring bond data 274: ok 5656 # correct ring bond data 274: ok 5657 # correct ring bond data 274: ok 5658 # correct ring bond data 274: ok 5659 # SSSR size matches reference 274: ok 5660 # correct SSSR count 274: ok 5661 # ring membership passed 274: ok 5662 # correct SSSR count 274: ok 5663 # ring membership passed 274: ok 5664 # correct SSSR count 274: ok 5665 # ring membership passed 274: ok 5666 # correct SSSR count 274: ok 5667 # ring membership passed 274: ok 5668 # correct SSSR count 274: ok 5669 # ring membership passed 274: ok 5670 # correct SSSR count 274: ok 5671 # ring membership passed 274: ok 5672 # correct SSSR count 274: ok 5673 # ring membership passed 274: ok 5674 # correct SSSR count 274: ok 5675 # ring membership passed 274: ok 5676 # correct SSSR count 274: ok 5677 # ring membership passed 274: ok 5678 # correct SSSR count 274: ok 5679 # ring membership passed 274: ok 5680 # correct SSSR count 274: ok 5681 # ring membership passed 274: ok 5682 # correct SSSR count 274: ok 5683 # ring membership passed 274: ok 5684 # correct SSSR count 274: ok 5685 # ring membership passed 274: ok 5686 # correct SSSR count 274: ok 5687 # ring membership passed 274: ok 5688 # correct SSSR count 274: ok 5689 # ring membership passed 274: ok 5690 # correct SSSR count 274: ok 5691 # ring membership passed 274: ok 5692 # correct SSSR count 274: ok 5693 # ring membership passed 274: ok 5694 # correct SSSR count 274: ok 5695 # ring membership passed 274: ok 5696 # correct SSSR count 274: ok 5697 # ring membership passed 274: ok 5698 # correct ring bond data 274: ok 5699 # correct ring bond data 274: ok 5700 # correct ring bond data 274: ok 5701 # correct ring bond data 274: ok 5702 # correct ring bond data 274: ok 5703 # correct ring bond data 274: ok 5704 # correct ring bond data 274: ok 5705 # correct ring bond data 274: ok 5706 # correct ring bond data 274: ok 5707 # correct ring bond data 274: ok 5708 # correct ring bond data 274: ok 5709 # correct ring bond data 274: ok 5710 # correct ring bond data 274: ok 5711 # correct ring bond data 274: ok 5712 # correct ring bond data 274: ok 5713 # correct ring bond data 274: ok 5714 # correct ring bond data 274: ok 5715 # correct ring bond data 274: ok 5716 # correct ring bond data 274: ok 5717 # correct ring bond data 274: ok 5718 # SSSR size matches reference 274: ok 5719 # correct SSSR count 274: ok 5720 # ring membership passed 274: ok 5721 # correct SSSR count 274: ok 5722 # ring membership passed 274: ok 5723 # correct SSSR count 274: ok 5724 # ring membership passed 274: ok 5725 # correct SSSR count 274: ok 5726 # ring membership passed 274: ok 5727 # correct SSSR count 274: ok 5728 # ring membership passed 274: ok 5729 # correct SSSR count 274: ok 5730 # ring membership passed 274: ok 5731 # correct SSSR count 274: ok 5732 # ring membership passed 274: ok 5733 # correct SSSR count 274: ok 5734 # ring membership passed 274: ok 5735 # correct SSSR count 274: ok 5736 # ring membership passed 274: ok 5737 # correct SSSR count 274: ok 5738 # ring membership passed 274: ok 5739 # correct SSSR count 274: ok 5740 # ring membership passed 274: ok 5741 # correct SSSR count 274: ok 5742 # ring membership passed 274: ok 5743 # correct SSSR count 274: ok 5744 # ring membership passed 274: ok 5745 # correct SSSR count 274: ok 5746 # ring membership passed 274: ok 5747 # correct SSSR count 274: ok 5748 # ring membership passed 274: ok 5749 # correct SSSR count 274: ok 5750 # ring membership passed 274: ok 5751 # correct SSSR count 274: ok 5752 # ring membership passed 274: ok 5753 # correct SSSR count 274: ok 5754 # ring membership passed 274: ok 5755 # correct SSSR count 274: ok 5756 # ring membership passed 274: ok 5757 # correct SSSR count 274: ok 5758 # ring membership passed 274: ok 5759 # correct ring bond data 274: ok 5760 # correct ring bond data 274: ok 5761 # correct ring bond data 274: ok 5762 # correct ring bond data 274: ok 5763 # correct ring bond data 274: ok 5764 # correct ring bond data 274: ok 5765 # correct ring bond data 274: ok 5766 # correct ring bond data 274: ok 5767 # correct ring bond data 274: ok 5768 # correct ring bond data 274: ok 5769 # correct ring bond data 274: ok 5770 # correct ring bond data 274: ok 5771 # correct ring bond data 274: ok 5772 # correct ring bond data 274: ok 5773 # correct ring bond data 274: ok 5774 # correct ring bond data 274: ok 5775 # correct ring bond data 274: ok 5776 # correct ring bond data 274: ok 5777 # correct ring bond data 274: ok 5778 # correct ring bond data 274: ok 5779 # correct ring bond data 274: ok 5780 # SSSR size matches reference 274: ok 5781 # correct SSSR count 274: ok 5782 # ring membership passed 274: ok 5783 # correct SSSR count 274: ok 5784 # ring membership passed 274: ok 5785 # correct SSSR count 274: ok 5786 # ring membership passed 274: ok 5787 # correct SSSR count 274: ok 5788 # ring membership passed 274: ok 5789 # correct SSSR count 274: ok 5790 # ring membership passed 274: ok 5791 # correct SSSR count 274: ok 5792 # ring membership passed 274: ok 5793 # correct SSSR count 274: ok 5794 # ring membership passed 274: ok 5795 # correct SSSR count 274: ok 5796 # ring membership passed 274: ok 5797 # correct SSSR count 274: ok 5798 # ring membership passed 274: ok 5799 # correct SSSR count 274: ok 5800 # ring membership passed 274: ok 5801 # correct SSSR count 274: ok 5802 # ring membership passed 274: ok 5803 # correct SSSR count 274: ok 5804 # ring membership passed 274: ok 5805 # correct SSSR count 274: ok 5806 # ring membership passed 274: ok 5807 # correct SSSR count 274: ok 5808 # ring membership passed 274: ok 5809 # correct SSSR count 274: ok 5810 # ring membership passed 274: ok 5811 # correct SSSR count 274: ok 5812 # ring membership passed 274: ok 5813 # correct SSSR count 274: ok 5814 # ring membership passed 274: ok 5815 # correct SSSR count 274: ok 5816 # ring membership passed 274: ok 5817 # correct SSSR count 274: ok 5818 # ring membership passed 274: ok 5819 # correct SSSR count 274: ok 5820 # ring membership passed 274: ok 5821 # correct SSSR count 274: ok 5822 # ring membership passed 274: ok 5823 # correct ring bond data 274: ok 5824 # correct ring bond data 274: ok 5825 # correct ring bond data 274: ok 5826 # correct ring bond data 274: ok 5827 # correct ring bond data 274: ok 5828 # correct ring bond data 274: ok 5829 # correct ring bond data 274: ok 5830 # correct ring bond data 274: ok 5831 # correct ring bond data 274: ok 5832 # correct ring bond data 274: ok 5833 # correct ring bond data 274: ok 5834 # correct ring bond data 274: ok 5835 # correct ring bond data 274: ok 5836 # correct ring bond data 274: ok 5837 # correct ring bond data 274: ok 5838 # correct ring bond data 274: ok 5839 # correct ring bond data 274: ok 5840 # correct ring bond data 274: ok 5841 # correct ring bond data 274: ok 5842 # SSSR size matches reference 274: ok 5843 # correct SSSR count 274: ok 5844 # ring membership passed 274: ok 5845 # correct SSSR count 274: ok 5846 # ring membership passed 274: ok 5847 # correct SSSR count 274: ok 5848 # ring membership passed 274: ok 5849 # correct SSSR count 274: ok 5850 # ring membership passed 274: ok 5851 # correct SSSR count 274: ok 5852 # ring membership passed 274: ok 5853 # correct SSSR count 274: ok 5854 # ring membership passed 274: ok 5855 # correct SSSR count 274: ok 5856 # ring membership passed 274: ok 5857 # correct SSSR count 274: ok 5858 # ring membership passed 274: ok 5859 # correct SSSR count 274: ok 5860 # ring membership passed 274: ok 5861 # correct SSSR count 274: ok 5862 # ring membership passed 274: ok 5863 # correct SSSR count 274: ok 5864 # ring membership passed 274: ok 5865 # correct SSSR count 274: ok 5866 # ring membership passed 274: ok 5867 # correct SSSR count 274: ok 5868 # ring membership passed 274: ok 5869 # correct SSSR count 274: ok 5870 # ring membership passed 274: ok 5871 # correct SSSR count 274: ok 5872 # ring membership passed 274: ok 5873 # correct SSSR count 274: ok 5874 # ring membership passed 274: ok 5875 # correct SSSR count 274: ok 5876 # ring membership passed 274: ok 5877 # correct SSSR count 274: ok 5878 # ring membership passed 274: ok 5879 # correct SSSR count 274: ok 5880 # ring membership passed 274: ok 5881 # correct ring bond data 274: ok 5882 # correct ring bond data 274: ok 5883 # correct ring bond data 274: ok 5884 # correct ring bond data 274: ok 5885 # correct ring bond data 274: ok 5886 # correct ring bond data 274: ok 5887 # correct ring bond data 274: ok 5888 # correct ring bond data 274: ok 5889 # correct ring bond data 274: ok 5890 # correct ring bond data 274: ok 5891 # correct ring bond data 274: ok 5892 # correct ring bond data 274: ok 5893 # correct ring bond data 274: ok 5894 # correct ring bond data 274: ok 5895 # correct ring bond data 274: ok 5896 # correct ring bond data 274: ok 5897 # correct ring bond data 274: ok 5898 # correct ring bond data 274: ok 5899 # correct ring bond data 274: ok 5900 # correct ring bond data 274: ok 5901 # correct ring bond data 274: ok 5902 # correct ring bond data 274: ok 5903 # SSSR size matches reference 274: ok 5904 # correct SSSR count 274: ok 5905 # ring membership passed 274: ok 5906 # correct SSSR count 274: ok 5907 # ring membership passed 274: ok 5908 # correct SSSR count 274: ok 5909 # ring membership passed 274: ok 5910 # correct SSSR count 274: ok 5911 # ring membership passed 274: ok 5912 # correct SSSR count 274: ok 5913 # ring membership passed 274: ok 5914 # correct SSSR count 274: ok 5915 # ring membership passed 274: ok 5916 # correct SSSR count 274: ok 5917 # ring membership passed 274: ok 5918 # correct SSSR count 274: ok 5919 # ring membership passed 274: ok 5920 # correct SSSR count 274: ok 5921 # ring membership passed 274: ok 5922 # correct SSSR count 274: ok 5923 # ring membership passed 274: ok 5924 # correct SSSR count 274: ok 5925 # ring membership passed 274: ok 5926 # correct SSSR count 274: ok 5927 # ring membership passed 274: ok 5928 # correct SSSR count 274: ok 5929 # ring membership passed 274: ok 5930 # correct SSSR count 274: ok 5931 # ring membership passed 274: ok 5932 # correct SSSR count 274: ok 5933 # ring membership passed 274: ok 5934 # correct SSSR count 274: ok 5935 # ring membership passed 274: ok 5936 # correct SSSR count 274: ok 5937 # ring membership passed 274: ok 5938 # correct SSSR count 274: ok 5939 # ring membership passed 274: ok 5940 # correct SSSR count 274: ok 5941 # ring membership passed 274: ok 5942 # correct SSSR count 274: ok 5943 # ring membership passed 274: ok 5944 # correct SSSR count 274: ok 5945 # ring membership passed 274: ok 5946 # correct SSSR count 274: ok 5947 # ring membership passed 274: ok 5948 # correct ring bond data 274: ok 5949 # correct ring bond data 274: ok 5950 # correct ring bond data 274: ok 5951 # correct ring bond data 274: ok 5952 # correct ring bond data 274: ok 5953 # correct ring bond data 274: ok 5954 # correct ring bond data 274: ok 5955 # correct ring bond data 274: ok 5956 # correct ring bond data 274: ok 5957 # correct ring bond data 274: ok 5958 # correct ring bond data 274: ok 5959 # correct ring bond data 274: ok 5960 # correct ring bond data 274: ok 5961 # correct ring bond data 274: ok 5962 # SSSR size matches reference 274: ok 5963 # correct SSSR count 274: ok 5964 # ring membership passed 274: ok 5965 # correct SSSR count 274: ok 5966 # ring membership passed 274: ok 5967 # correct SSSR count 274: ok 5968 # ring membership passed 274: ok 5969 # correct SSSR count 274: ok 5970 # ring membership passed 274: ok 5971 # correct SSSR count 274: ok 5972 # ring membership passed 274: ok 5973 # correct SSSR count 274: ok 5974 # ring membership passed 274: ok 5975 # correct SSSR count 274: ok 5976 # ring membership passed 274: ok 5977 # correct SSSR count 274: ok 5978 # ring membership passed 274: ok 5979 # correct SSSR count 274: ok 5980 # ring membership passed 274: ok 5981 # correct SSSR count 274: ok 5982 # ring membership passed 274: ok 5983 # correct SSSR count 274: ok 5984 # ring membership passed 274: ok 5985 # correct SSSR count 274: ok 5986 # ring membership passed 274: ok 5987 # correct SSSR count 274: ok 5988 # ring membership passed 274: ok 5989 # correct SSSR count 274: ok 5990 # ring membership passed 274: ok 5991 # correct ring bond data 274: ok 5992 # correct ring bond data 274: ok 5993 # correct ring bond data 274: ok 5994 # correct ring bond data 274: ok 5995 # correct ring bond data 274: ok 5996 # correct ring bond data 274: ok 5997 # correct ring bond data 274: ok 5998 # correct ring bond data 274: ok 5999 # correct ring bond data 274: ok 6000 # correct ring bond data 274: ok 6001 # correct ring bond data 274: ok 6002 # correct ring bond data 274: ok 6003 # correct ring bond data 274: ok 6004 # correct ring bond data 274: ok 6005 # correct ring bond data 274: ok 6006 # correct ring bond data 274: ok 6007 # correct ring bond data 274: ok 6008 # correct ring bond data 274: ok 6009 # correct ring bond data 274: ok 6010 # correct ring bond data 274: ok 6011 # correct ring bond data 274: ok 6012 # correct ring bond data 274: ok 6013 # correct ring bond data 274: ok 6014 # correct ring bond data 274: ok 6015 # SSSR size matches reference 274: ok 6016 # correct SSSR count 274: ok 6017 # ring membership passed 274: ok 6018 # correct SSSR count 274: ok 6019 # ring membership passed 274: ok 6020 # correct SSSR count 274: ok 6021 # ring membership passed 274: ok 6022 # correct SSSR count 274: ok 6023 # ring membership passed 274: ok 6024 # correct SSSR count 274: ok 6025 # ring membership passed 274: ok 6026 # correct SSSR count 274: ok 6027 # ring membership passed 274: ok 6028 # correct SSSR count 274: ok 6029 # ring membership passed 274: ok 6030 # correct SSSR count 274: ok 6031 # ring membership passed 274: ok 6032 # correct SSSR count 274: ok 6033 # ring membership passed 274: ok 6034 # correct SSSR count 274: ok 6035 # ring membership passed 274: ok 6036 # correct SSSR count 274: ok 6037 # ring membership passed 274: ok 6038 # correct SSSR count 274: ok 6039 # ring membership passed 274: ok 6040 # correct SSSR count 274: ok 6041 # ring membership passed 274: ok 6042 # correct SSSR count 274: ok 6043 # ring membership passed 274: ok 6044 # correct SSSR count 274: ok 6045 # ring membership passed 274: ok 6046 # correct SSSR count 274: ok 6047 # ring membership passed 274: ok 6048 # correct SSSR count 274: ok 6049 # ring membership passed 274: ok 6050 # correct SSSR count 274: ok 6051 # ring membership passed 274: ok 6052 # correct SSSR count 274: ok 6053 # ring membership passed 274: ok 6054 # correct SSSR count 274: ok 6055 # ring membership passed 274: ok 6056 # correct SSSR count 274: ok 6057 # ring membership passed 274: ok 6058 # correct SSSR count 274: ok 6059 # ring membership passed 274: ok 6060 # correct SSSR count 274: ok 6061 # ring membership passed 274: ok 6062 # correct ring bond data 274: ok 6063 # correct ring bond data 274: ok 6064 # correct ring bond data 274: ok 6065 # correct ring bond data 274: ok 6066 # correct ring bond data 274: ok 6067 # correct ring bond data 274: ok 6068 # correct ring bond data 274: ok 6069 # correct ring bond data 274: ok 6070 # correct ring bond data 274: ok 6071 # correct ring bond data 274: ok 6072 # correct ring bond data 274: ok 6073 # correct ring bond data 274: ok 6074 # correct ring bond data 274: ok 6075 # correct ring bond data 274: ok 6076 # correct ring bond data 274: ok 6077 # correct ring bond data 274: ok 6078 # correct ring bond data 274: ok 6079 # correct ring bond data 274: ok 6080 # correct ring bond data 274: ok 6081 # SSSR size matches reference 274: ok 6082 # correct SSSR count 274: ok 6083 # ring membership passed 274: ok 6084 # correct SSSR count 274: ok 6085 # ring membership passed 274: ok 6086 # correct SSSR count 274: ok 6087 # ring membership passed 274: ok 6088 # correct SSSR count 274: ok 6089 # ring membership passed 274: ok 6090 # correct SSSR count 274: ok 6091 # ring membership passed 274: ok 6092 # correct SSSR count 274: ok 6093 # ring membership passed 274: ok 6094 # correct SSSR count 274: ok 6095 # ring membership passed 274: ok 6096 # correct SSSR count 274: ok 6097 # ring membership passed 274: ok 6098 # correct SSSR count 274: ok 6099 # ring membership passed 274: ok 6100 # correct SSSR count 274: ok 6101 # ring membership passed 274: ok 6102 # correct SSSR count 274: ok 6103 # ring membership passed 274: ok 6104 # correct SSSR count 274: ok 6105 # ring membership passed 274: ok 6106 # correct SSSR count 274: ok 6107 # ring membership passed 274: ok 6108 # correct SSSR count 274: ok 6109 # ring membership passed 274: ok 6110 # correct SSSR count 274: ok 6111 # ring membership passed 274: ok 6112 # correct SSSR count 274: ok 6113 # ring membership passed 274: ok 6114 # correct SSSR count 274: ok 6115 # ring membership passed 274: ok 6116 # correct SSSR count 274: ok 6117 # ring membership passed 274: ok 6118 # correct ring bond data 274: ok 6119 # correct ring bond data 274: ok 6120 # correct ring bond data 274: ok 6121 # correct ring bond data 274: ok 6122 # correct ring bond data 274: ok 6123 # correct ring bond data 274: ok 6124 # correct ring bond data 274: ok 6125 # correct ring bond data 274: ok 6126 # correct ring bond data 274: ok 6127 # correct ring bond data 274: ok 6128 # correct ring bond data 274: ok 6129 # correct ring bond data 274: ok 6130 # correct ring bond data 274: ok 6131 # correct ring bond data 274: ok 6132 # correct ring bond data 274: ok 6133 # correct ring bond data 274: ok 6134 # correct ring bond data 274: ok 6135 # correct ring bond data 274: ok 6136 # correct ring bond data 274: ok 6137 # correct ring bond data 274: ok 6138 # SSSR size matches reference 274: ok 6139 # correct SSSR count 274: ok 6140 # ring membership passed 274: ok 6141 # correct SSSR count 274: ok 6142 # ring membership passed 274: ok 6143 # correct SSSR count 274: ok 6144 # ring membership passed 274: ok 6145 # correct SSSR count 274: ok 6146 # ring membership passed 274: ok 6147 # correct SSSR count 274: ok 6148 # ring membership passed 274: ok 6149 # correct SSSR count 274: ok 6150 # ring membership passed 274: ok 6151 # correct SSSR count 274: ok 6152 # ring membership passed 274: ok 6153 # correct SSSR count 274: ok 6154 # ring membership passed 274: ok 6155 # correct SSSR count 274: ok 6156 # ring membership passed 274: ok 6157 # correct SSSR count 274: ok 6158 # ring membership passed 274: ok 6159 # correct SSSR count 274: ok 6160 # ring membership passed 274: ok 6161 # correct SSSR count 274: ok 6162 # ring membership passed 274: ok 6163 # correct SSSR count 274: ok 6164 # ring membership passed 274: ok 6165 # correct SSSR count 274: ok 6166 # ring membership passed 274: ok 6167 # correct SSSR count 274: ok 6168 # ring membership passed 274: ok 6169 # correct SSSR count 274: ok 6170 # ring membership passed 274: ok 6171 # correct SSSR count 274: ok 6172 # ring membership passed 274: ok 6173 # correct SSSR count 274: ok 6174 # ring membership passed 274: ok 6175 # correct ring bond data 274: ok 6176 # correct ring bond data 274: ok 6177 # correct ring bond data 274: ok 6178 # correct ring bond data 274: ok 6179 # correct ring bond data 274: ok 6180 # correct ring bond data 274: ok 6181 # correct ring bond data 274: ok 6182 # correct ring bond data 274: ok 6183 # correct ring bond data 274: ok 6184 # correct ring bond data 274: ok 6185 # correct ring bond data 274: ok 6186 # correct ring bond data 274: ok 6187 # correct ring bond data 274: ok 6188 # correct ring bond data 274: ok 6189 # correct ring bond data 274: ok 6190 # correct ring bond data 274: ok 6191 # correct ring bond data 274: ok 6192 # correct ring bond data 274: ok 6193 # correct ring bond data 274: ok 6194 # correct ring bond data 274: ok 6195 # correct ring bond data 274: ok 6196 # SSSR size matches reference 274: ok 6197 # correct SSSR count 274: ok 6198 # ring membership passed 274: ok 6199 # correct SSSR count 274: ok 6200 # ring membership passed 274: ok 6201 # correct SSSR count 274: ok 6202 # ring membership passed 274: ok 6203 # correct SSSR count 274: ok 6204 # ring membership passed 274: ok 6205 # correct SSSR count 274: ok 6206 # ring membership passed 274: ok 6207 # correct SSSR count 274: ok 6208 # ring membership passed 274: ok 6209 # correct SSSR count 274: ok 6210 # ring membership passed 274: ok 6211 # correct SSSR count 274: ok 6212 # ring membership passed 274: ok 6213 # correct SSSR count 274: ok 6214 # ring membership passed 274: ok 6215 # correct SSSR count 274: ok 6216 # ring membership passed 274: ok 6217 # correct SSSR count 274: ok 6218 # ring membership passed 274: ok 6219 # correct SSSR count 274: ok 6220 # ring membership passed 274: ok 6221 # correct SSSR count 274: ok 6222 # ring membership passed 274: ok 6223 # correct SSSR count 274: ok 6224 # ring membership passed 274: ok 6225 # correct SSSR count 274: ok 6226 # ring membership passed 274: ok 6227 # correct SSSR count 274: ok 6228 # ring membership passed 274: ok 6229 # correct SSSR count 274: ok 6230 # ring membership passed 274: ok 6231 # correct SSSR count 274: ok 6232 # ring membership passed 274: ok 6233 # correct SSSR count 274: ok 6234 # ring membership passed 274: ok 6235 # correct ring bond data 274: ok 6236 # correct ring bond data 274: ok 6237 # correct ring bond data 274: ok 6238 # correct ring bond data 274: ok 6239 # correct ring bond data 274: ok 6240 # correct ring bond data 274: ok 6241 # correct ring bond data 274: ok 6242 # correct ring bond data 274: ok 6243 # correct ring bond data 274: ok 6244 # correct ring bond data 274: ok 6245 # correct ring bond data 274: ok 6246 # correct ring bond data 274: ok 6247 # correct ring bond data 274: ok 6248 # correct ring bond data 274: ok 6249 # SSSR size matches reference 274: ok 6250 # correct SSSR count 274: ok 6251 # ring membership passed 274: ok 6252 # correct SSSR count 274: ok 6253 # ring membership passed 274: ok 6254 # correct SSSR count 274: ok 6255 # ring membership passed 274: ok 6256 # correct SSSR count 274: ok 6257 # ring membership passed 274: ok 6258 # correct SSSR count 274: ok 6259 # ring membership passed 274: ok 6260 # correct SSSR count 274: ok 6261 # ring membership passed 274: ok 6262 # correct SSSR count 274: ok 6263 # ring membership passed 274: ok 6264 # correct SSSR count 274: ok 6265 # ring membership passed 274: ok 6266 # correct SSSR count 274: ok 6267 # ring membership passed 274: ok 6268 # correct SSSR count 274: ok 6269 # ring membership passed 274: ok 6270 # correct SSSR count 274: ok 6271 # ring membership passed 274: ok 6272 # correct SSSR count 274: ok 6273 # ring membership passed 274: ok 6274 # correct SSSR count 274: ok 6275 # ring membership passed 274: ok 6276 # correct SSSR count 274: ok 6277 # ring membership passed 274: ok 6278 # correct ring bond data 274: ok 6279 # correct ring bond data 274: ok 6280 # correct ring bond data 274: ok 6281 # correct ring bond data 274: ok 6282 # correct ring bond data 274: ok 6283 # correct ring bond data 274: ok 6284 # correct ring bond data 274: ok 6285 # correct ring bond data 274: ok 6286 # correct ring bond data 274: ok 6287 # correct ring bond data 274: ok 6288 # correct ring bond data 274: ok 6289 # correct ring bond data 274: ok 6290 # correct ring bond data 274: ok 6291 # correct ring bond data 274: ok 6292 # SSSR size matches reference 274: ok 6293 # correct SSSR count 274: ok 6294 # ring membership passed 274: ok 6295 # correct SSSR count 274: ok 6296 # ring membership passed 274: ok 6297 # correct SSSR count 274: ok 6298 # ring membership passed 274: ok 6299 # correct SSSR count 274: ok 6300 # ring membership passed 274: ok 6301 # correct SSSR count 274: ok 6302 # ring membership passed 274: ok 6303 # correct SSSR count 274: ok 6304 # ring membership passed 274: ok 6305 # correct SSSR count 274: ok 6306 # ring membership passed 274: ok 6307 # correct SSSR count 274: ok 6308 # ring membership passed 274: ok 6309 # correct SSSR count 274: ok 6310 # ring membership passed 274: ok 6311 # correct SSSR count 274: ok 6312 # ring membership passed 274: ok 6313 # correct SSSR count 274: ok 6314 # ring membership passed 274: ok 6315 # correct SSSR count 274: ok 6316 # ring membership passed 274: ok 6317 # correct SSSR count 274: ok 6318 # ring membership passed 274: ok 6319 # correct SSSR count 274: ok 6320 # ring membership passed 274: ok 6321 # correct ring bond data 274: ok 6322 # correct ring bond data 274: ok 6323 # correct ring bond data 274: ok 6324 # correct ring bond data 274: ok 6325 # correct ring bond data 274: ok 6326 # correct ring bond data 274: ok 6327 # correct ring bond data 274: ok 6328 # correct ring bond data 274: ok 6329 # correct ring bond data 274: ok 6330 # correct ring bond data 274: ok 6331 # correct ring bond data 274: ok 6332 # correct ring bond data 274: ok 6333 # correct ring bond data 274: ok 6334 # correct ring bond data 274: ok 6335 # SSSR size matches reference 274: ok 6336 # correct SSSR count 274: ok 6337 # ring membership passed 274: ok 6338 # correct SSSR count 274: ok 6339 # ring membership passed 274: ok 6340 # correct SSSR count 274: ok 6341 # ring membership passed 274: ok 6342 # correct SSSR count 274: ok 6343 # ring membership passed 274: ok 6344 # correct SSSR count 274: ok 6345 # ring membership passed 274: ok 6346 # correct SSSR count 274: ok 6347 # ring membership passed 274: ok 6348 # correct SSSR count 274: ok 6349 # ring membership passed 274: ok 6350 # correct SSSR count 274: ok 6351 # ring membership passed 274: ok 6352 # correct SSSR count 274: ok 6353 # ring membership passed 274: ok 6354 # correct SSSR count 274: ok 6355 # ring membership passed 274: ok 6356 # correct SSSR count 274: ok 6357 # ring membership passed 274: ok 6358 # correct SSSR count 274: ok 6359 # ring membership passed 274: ok 6360 # correct SSSR count 274: ok 6361 # ring membership passed 274: ok 6362 # correct SSSR count 274: ok 6363 # ring membership passed 274: ok 6364 # correct ring bond data 274: ok 6365 # correct ring bond data 274: ok 6366 # correct ring bond data 274: ok 6367 # correct ring bond data 274: ok 6368 # correct ring bond data 274: ok 6369 # correct ring bond data 274: ok 6370 # correct ring bond data 274: ok 6371 # correct ring bond data 274: ok 6372 # correct ring bond data 274: ok 6373 # correct ring bond data 274: ok 6374 # correct ring bond data 274: ok 6375 # correct ring bond data 274: ok 6376 # SSSR size matches reference 274: ok 6377 # correct SSSR count 274: ok 6378 # ring membership passed 274: ok 6379 # correct SSSR count 274: ok 6380 # ring membership passed 274: ok 6381 # correct SSSR count 274: ok 6382 # ring membership passed 274: ok 6383 # correct SSSR count 274: ok 6384 # ring membership passed 274: ok 6385 # correct SSSR count 274: ok 6386 # ring membership passed 274: ok 6387 # correct SSSR count 274: ok 6388 # ring membership passed 274: ok 6389 # correct SSSR count 274: ok 6390 # ring membership passed 274: ok 6391 # correct SSSR count 274: ok 6392 # ring membership passed 274: ok 6393 # correct SSSR count 274: ok 6394 # ring membership passed 274: ok 6395 # correct SSSR count 274: ok 6396 # ring membership passed 274: ok 6397 # correct SSSR count 274: ok 6398 # ring membership passed 274: ok 6399 # correct SSSR count 274: ok 6400 # ring membership passed 274: ok 6401 # correct ring bond data 274: ok 6402 # correct ring bond data 274: ok 6403 # correct ring bond data 274: ok 6404 # correct ring bond data 274: ok 6405 # correct ring bond data 274: ok 6406 # correct ring bond data 274: ok 6407 # correct ring bond data 274: ok 6408 # correct ring bond data 274: ok 6409 # correct ring bond data 274: ok 6410 # correct ring bond data 274: ok 6411 # correct ring bond data 274: ok 6412 # correct ring bond data 274: ok 6413 # correct ring bond data 274: ok 6414 # correct ring bond data 274: ok 6415 # correct ring bond data 274: ok 6416 # correct ring bond data 274: ok 6417 # correct ring bond data 274: ok 6418 # correct ring bond data 274: ok 6419 # SSSR size matches reference 274: ok 6420 # correct SSSR count 274: ok 6421 # ring membership passed 274: ok 6422 # correct SSSR count 274: ok 6423 # ring membership passed 274: ok 6424 # correct SSSR count 274: ok 6425 # ring membership passed 274: ok 6426 # correct SSSR count 274: ok 6427 # ring membership passed 274: ok 6428 # correct SSSR count 274: ok 6429 # ring membership passed 274: ok 6430 # correct SSSR count 274: ok 6431 # ring membership passed 274: ok 6432 # correct SSSR count 274: ok 6433 # ring membership passed 274: ok 6434 # correct SSSR count 274: ok 6435 # ring membership passed 274: ok 6436 # correct SSSR count 274: ok 6437 # ring membership passed 274: ok 6438 # correct SSSR count 274: ok 6439 # ring membership passed 274: ok 6440 # correct SSSR count 274: ok 6441 # ring membership passed 274: ok 6442 # correct SSSR count 274: ok 6443 # ring membership passed 274: ok 6444 # correct SSSR count 274: ok 6445 # ring membership passed 274: ok 6446 # correct SSSR count 274: ok 6447 # ring membership passed 274: ok 6448 # correct SSSR count 274: ok 6449 # ring membership passed 274: ok 6450 # correct SSSR count 274: ok 6451 # ring membership passed 274: ok 6452 # correct SSSR count 274: ok 6453 # ring membership passed 274: ok 6454 # correct ring bond data 274: ok 6455 # correct ring bond data 274: ok 6456 # correct ring bond data 274: ok 6457 # correct ring bond data 274: ok 6458 # correct ring bond data 274: ok 6459 # correct ring bond data 274: ok 6460 # correct ring bond data 274: ok 6461 # correct ring bond data 274: ok 6462 # correct ring bond data 274: ok 6463 # correct ring bond data 274: ok 6464 # correct ring bond data 274: ok 6465 # correct ring bond data 274: ok 6466 # correct ring bond data 274: ok 6467 # correct ring bond data 274: ok 6468 # correct ring bond data 274: ok 6469 # correct ring bond data 274: ok 6470 # correct ring bond data 274: ok 6471 # correct ring bond data 274: ok 6472 # correct ring bond data 274: ok 6473 # correct ring bond data 274: ok 6474 # correct ring bond data 274: ok 6475 # correct ring bond data 274: ok 6476 # correct ring bond data 274: ok 6477 # correct ring bond data 274: ok 6478 # SSSR size matches reference 274: ok 6479 # correct SSSR count 274: ok 6480 # ring membership passed 274: ok 6481 # correct SSSR count 274: ok 6482 # ring membership passed 274: ok 6483 # correct SSSR count 274: ok 6484 # ring membership passed 274: ok 6485 # correct SSSR count 274: ok 6486 # ring membership passed 274: ok 6487 # correct SSSR count 274: ok 6488 # ring membership passed 274: ok 6489 # correct SSSR count 274: ok 6490 # ring membership passed 274: ok 6491 # correct SSSR count 274: ok 6492 # ring membership passed 274: ok 6493 # correct SSSR count 274: ok 6494 # ring membership passed 274: ok 6495 # correct SSSR count 274: ok 6496 # ring membership passed 274: ok 6497 # correct SSSR count 274: ok 6498 # ring membership passed 274: ok 6499 # correct SSSR count 274: ok 6500 # ring membership passed 274: ok 6501 # correct SSSR count 274: ok 6502 # ring membership passed 274: ok 6503 # correct SSSR count 274: ok 6504 # ring membership passed 274: ok 6505 # correct SSSR count 274: ok 6506 # ring membership passed 274: ok 6507 # correct SSSR count 274: ok 6508 # ring membership passed 274: ok 6509 # correct SSSR count 274: ok 6510 # ring membership passed 274: ok 6511 # correct SSSR count 274: ok 6512 # ring membership passed 274: ok 6513 # correct SSSR count 274: ok 6514 # ring membership passed 274: ok 6515 # correct SSSR count 274: ok 6516 # ring membership passed 274: ok 6517 # correct SSSR count 274: ok 6518 # ring membership passed 274: ok 6519 # correct SSSR count 274: ok 6520 # ring membership passed 274: ok 6521 # correct SSSR count 274: ok 6522 # ring membership passed 274: ok 6523 # correct SSSR count 274: ok 6524 # ring membership passed 274: ok 6525 # correct ring bond data 274: ok 6526 # correct ring bond data 274: ok 6527 # correct ring bond data 274: ok 6528 # correct ring bond data 274: ok 6529 # correct ring bond data 274: ok 6530 # correct ring bond data 274: ok 6531 # correct ring bond data 274: ok 6532 # correct ring bond data 274: ok 6533 # correct ring bond data 274: ok 6534 # correct ring bond data 274: ok 6535 # correct ring bond data 274: ok 6536 # correct ring bond data 274: ok 6537 # correct ring bond data 274: ok 6538 # correct ring bond data 274: ok 6539 # correct ring bond data 274: ok 6540 # correct ring bond data 274: ok 6541 # correct ring bond data 274: ok 6542 # correct ring bond data 274: ok 6543 # correct ring bond data 274: ok 6544 # correct ring bond data 274: ok 6545 # correct ring bond data 274: ok 6546 # SSSR size matches reference 274: ok 6547 # correct SSSR count 274: ok 6548 # ring membership passed 274: ok 6549 # correct SSSR count 274: ok 6550 # ring membership passed 274: ok 6551 # correct SSSR count 274: ok 6552 # ring membership passed 274: ok 6553 # correct SSSR count 274: ok 6554 # ring membership passed 274: ok 6555 # correct SSSR count 274: ok 6556 # ring membership passed 274: ok 6557 # correct SSSR count 274: ok 6558 # ring membership passed 274: ok 6559 # correct SSSR count 274: ok 6560 # ring membership passed 274: ok 6561 # correct SSSR count 274: ok 6562 # ring membership passed 274: ok 6563 # correct SSSR count 274: ok 6564 # ring membership passed 274: ok 6565 # correct SSSR count 274: ok 6566 # ring membership passed 274: ok 6567 # correct SSSR count 274: ok 6568 # ring membership passed 274: ok 6569 # correct SSSR count 274: ok 6570 # ring membership passed 274: ok 6571 # correct SSSR count 274: ok 6572 # ring membership passed 274: ok 6573 # correct SSSR count 274: ok 6574 # ring membership passed 274: ok 6575 # correct SSSR count 274: ok 6576 # ring membership passed 274: ok 6577 # correct SSSR count 274: ok 6578 # ring membership passed 274: ok 6579 # correct SSSR count 274: ok 6580 # ring membership passed 274: ok 6581 # correct SSSR count 274: ok 6582 # ring membership passed 274: ok 6583 # correct SSSR count 274: ok 6584 # ring membership passed 274: ok 6585 # correct SSSR count 274: ok 6586 # ring membership passed 274: ok 6587 # correct ring bond data 274: ok 6588 # correct ring bond data 274: ok 6589 # correct ring bond data 274: ok 6590 # correct ring bond data 274: ok 6591 # correct ring bond data 274: ok 6592 # correct ring bond data 274: ok 6593 # correct ring bond data 274: ok 6594 # correct ring bond data 274: ok 6595 # correct ring bond data 274: ok 6596 # correct ring bond data 274: ok 6597 # correct ring bond data 274: ok 6598 # correct ring bond data 274: ok 6599 # correct ring bond data 274: ok 6600 # correct ring bond data 274: ok 6601 # correct ring bond data 274: ok 6602 # correct ring bond data 274: ok 6603 # correct ring bond data 274: ok 6604 # correct ring bond data 274: ok 6605 # correct ring bond data 274: ok 6606 # correct ring bond data 274: ok 6607 # correct ring bond data 274: ok 6608 # correct ring bond data 274: ok 6609 # correct ring bond data 274: ok 6610 # correct ring bond data 274: ok 6611 # correct ring bond data 274: ok 6612 # correct ring bond data 274: ok 6613 # correct ring bond data 274: ok 6614 # SSSR size matches reference 274: ok 6615 # correct SSSR count 274: ok 6616 # ring membership passed 274: ok 6617 # correct SSSR count 274: ok 6618 # ring membership passed 274: ok 6619 # correct SSSR count 274: ok 6620 # ring membership passed 274: ok 6621 # correct SSSR count 274: ok 6622 # ring membership passed 274: ok 6623 # correct SSSR count 274: ok 6624 # ring membership passed 274: ok 6625 # correct SSSR count 274: ok 6626 # ring membership passed 274: ok 6627 # correct SSSR count 274: ok 6628 # ring membership passed 274: ok 6629 # correct SSSR count 274: ok 6630 # ring membership passed 274: ok 6631 # correct SSSR count 274: ok 6632 # ring membership passed 274: ok 6633 # correct SSSR count 274: ok 6634 # ring membership passed 274: ok 6635 # correct SSSR count 274: ok 6636 # ring membership passed 274: ok 6637 # correct SSSR count 274: ok 6638 # ring membership passed 274: ok 6639 # correct SSSR count 274: ok 6640 # ring membership passed 274: ok 6641 # correct SSSR count 274: ok 6642 # ring membership passed 274: ok 6643 # correct SSSR count 274: ok 6644 # ring membership passed 274: ok 6645 # correct SSSR count 274: ok 6646 # ring membership passed 274: ok 6647 # correct SSSR count 274: ok 6648 # ring membership passed 274: ok 6649 # correct SSSR count 274: ok 6650 # ring membership passed 274: ok 6651 # correct SSSR count 274: ok 6652 # ring membership passed 274: ok 6653 # correct SSSR count 274: ok 6654 # ring membership passed 274: ok 6655 # correct SSSR count 274: ok 6656 # ring membership passed 274: ok 6657 # correct SSSR count 274: ok 6658 # ring membership passed 274: ok 6659 # correct SSSR count 274: ok 6660 # ring membership passed 274: ok 6661 # correct SSSR count 274: ok 6662 # ring membership passed 274: ok 6663 # correct SSSR count 274: ok 6664 # ring membership passed 274: ok 6665 # correct ring bond data 274: ok 6666 # correct ring bond data 274: ok 6667 # correct ring bond data 274: ok 6668 # correct ring bond data 274: ok 6669 # correct ring bond data 274: ok 6670 # correct ring bond data 274: ok 6671 # correct ring bond data 274: ok 6672 # correct ring bond data 274: ok 6673 # correct ring bond data 274: ok 6674 # correct ring bond data 274: ok 6675 # correct ring bond data 274: ok 6676 # correct ring bond data 274: ok 6677 # correct ring bond data 274: ok 6678 # correct ring bond data 274: ok 6679 # correct ring bond data 274: ok 6680 # SSSR size matches reference 274: ok 6681 # correct SSSR count 274: ok 6682 # ring membership passed 274: ok 6683 # correct SSSR count 274: ok 6684 # ring membership passed 274: ok 6685 # correct SSSR count 274: ok 6686 # ring membership passed 274: ok 6687 # correct SSSR count 274: ok 6688 # ring membership passed 274: ok 6689 # correct SSSR count 274: ok 6690 # ring membership passed 274: ok 6691 # correct SSSR count 274: ok 6692 # ring membership passed 274: ok 6693 # correct SSSR count 274: ok 6694 # ring membership passed 274: ok 6695 # correct SSSR count 274: ok 6696 # ring membership passed 274: ok 6697 # correct SSSR count 274: ok 6698 # ring membership passed 274: ok 6699 # correct SSSR count 274: ok 6700 # ring membership passed 274: ok 6701 # correct SSSR count 274: ok 6702 # ring membership passed 274: ok 6703 # correct SSSR count 274: ok 6704 # ring membership passed 274: ok 6705 # correct SSSR count 274: ok 6706 # ring membership passed 274: ok 6707 # correct SSSR count 274: ok 6708 # ring membership passed 274: ok 6709 # correct SSSR count 274: ok 6710 # ring membership passed 274: ok 6711 # correct ring bond data 274: ok 6712 # correct ring bond data 274: ok 6713 # correct ring bond data 274: ok 6714 # correct ring bond data 274: ok 6715 # correct ring bond data 274: ok 6716 # correct ring bond data 274: ok 6717 # correct ring bond data 274: ok 6718 # correct ring bond data 274: ok 6719 # correct ring bond data 274: ok 6720 # correct ring bond data 274: ok 6721 # correct ring bond data 274: ok 6722 # correct ring bond data 274: ok 6723 # correct ring bond data 274: ok 6724 # correct ring bond data 274: ok 6725 # correct ring bond data 274: ok 6726 # correct ring bond data 274: ok 6727 # correct ring bond data 274: ok 6728 # correct ring bond data 274: ok 6729 # correct ring bond data 274: ok 6730 # correct ring bond data 274: ok 6731 # SSSR size matches reference 274: ok 6732 # correct SSSR count 274: ok 6733 # ring membership passed 274: ok 6734 # correct SSSR count 274: ok 6735 # ring membership passed 274: ok 6736 # correct SSSR count 274: ok 6737 # ring membership passed 274: ok 6738 # correct SSSR count 274: ok 6739 # ring membership passed 274: ok 6740 # correct SSSR count 274: ok 6741 # ring membership passed 274: ok 6742 # correct SSSR count 274: ok 6743 # ring membership passed 274: ok 6744 # correct SSSR count 274: ok 6745 # ring membership passed 274: ok 6746 # correct SSSR count 274: ok 6747 # ring membership passed 274: ok 6748 # correct SSSR count 274: ok 6749 # ring membership passed 274: ok 6750 # correct SSSR count 274: ok 6751 # ring membership passed 274: ok 6752 # correct SSSR count 274: ok 6753 # ring membership passed 274: ok 6754 # correct SSSR count 274: ok 6755 # ring membership passed 274: ok 6756 # correct SSSR count 274: ok 6757 # ring membership passed 274: ok 6758 # correct SSSR count 274: ok 6759 # ring membership passed 274: ok 6760 # correct SSSR count 274: ok 6761 # ring membership passed 274: ok 6762 # correct SSSR count 274: ok 6763 # ring membership passed 274: ok 6764 # correct SSSR count 274: ok 6765 # ring membership passed 274: ok 6766 # correct SSSR count 274: ok 6767 # ring membership passed 274: ok 6768 # correct SSSR count 274: ok 6769 # ring membership passed 274: ok 6770 # correct ring bond data 274: ok 6771 # correct ring bond data 274: ok 6772 # correct ring bond data 274: ok 6773 # correct ring bond data 274: ok 6774 # correct ring bond data 274: ok 6775 # correct ring bond data 274: ok 6776 # correct ring bond data 274: ok 6777 # correct ring bond data 274: ok 6778 # correct ring bond data 274: ok 6779 # correct ring bond data 274: ok 6780 # correct ring bond data 274: ok 6781 # correct ring bond data 274: ok 6782 # correct ring bond data 274: ok 6783 # correct ring bond data 274: ok 6784 # SSSR size matches reference 274: ok 6785 # correct SSSR count 274: ok 6786 # ring membership passed 274: ok 6787 # correct SSSR count 274: ok 6788 # ring membership passed 274: ok 6789 # correct SSSR count 274: ok 6790 # ring membership passed 274: ok 6791 # correct SSSR count 274: ok 6792 # ring membership passed 274: ok 6793 # correct SSSR count 274: ok 6794 # ring membership passed 274: ok 6795 # correct SSSR count 274: ok 6796 # ring membership passed 274: ok 6797 # correct SSSR count 274: ok 6798 # ring membership passed 274: ok 6799 # correct SSSR count 274: ok 6800 # ring membership passed 274: ok 6801 # correct SSSR count 274: ok 6802 # ring membership passed 274: ok 6803 # correct SSSR count 274: ok 6804 # ring membership passed 274: ok 6805 # correct SSSR count 274: ok 6806 # ring membership passed 274: ok 6807 # correct SSSR count 274: ok 6808 # ring membership passed 274: ok 6809 # correct SSSR count 274: ok 6810 # ring membership passed 274: ok 6811 # correct SSSR count 274: ok 6812 # ring membership passed 274: ok 6813 # correct ring bond data 274: ok 6814 # correct ring bond data 274: ok 6815 # correct ring bond data 274: ok 6816 # correct ring bond data 274: ok 6817 # correct ring bond data 274: ok 6818 # correct ring bond data 274: ok 6819 # correct ring bond data 274: ok 6820 # correct ring bond data 274: ok 6821 # correct ring bond data 274: ok 6822 # correct ring bond data 274: ok 6823 # correct ring bond data 274: ok 6824 # correct ring bond data 274: ok 6825 # correct ring bond data 274: ok 6826 # correct ring bond data 274: ok 6827 # SSSR size matches reference 274: ok 6828 # correct SSSR count 274: ok 6829 # ring membership passed 274: ok 6830 # correct SSSR count 274: ok 6831 # ring membership passed 274: ok 6832 # correct SSSR count 274: ok 6833 # ring membership passed 274: ok 6834 # correct SSSR count 274: ok 6835 # ring membership passed 274: ok 6836 # correct SSSR count 274: ok 6837 # ring membership passed 274: ok 6838 # correct SSSR count 274: ok 6839 # ring membership passed 274: ok 6840 # correct SSSR count 274: ok 6841 # ring membership passed 274: ok 6842 # correct SSSR count 274: ok 6843 # ring membership passed 274: ok 6844 # correct SSSR count 274: ok 6845 # ring membership passed 274: ok 6846 # correct SSSR count 274: ok 6847 # ring membership passed 274: ok 6848 # correct SSSR count 274: ok 6849 # ring membership passed 274: ok 6850 # correct SSSR count 274: ok 6851 # ring membership passed 274: ok 6852 # correct SSSR count 274: ok 6853 # ring membership passed 274: ok 6854 # correct SSSR count 274: ok 6855 # ring membership passed 274: ok 6856 # correct ring bond data 274: ok 6857 # correct ring bond data 274: ok 6858 # correct ring bond data 274: ok 6859 # correct ring bond data 274: ok 6860 # correct ring bond data 274: ok 6861 # correct ring bond data 274: ok 6862 # correct ring bond data 274: ok 6863 # correct ring bond data 274: ok 6864 # correct ring bond data 274: ok 6865 # correct ring bond data 274: ok 6866 # correct ring bond data 274: ok 6867 # correct ring bond data 274: ok 6868 # correct ring bond data 274: ok 6869 # correct ring bond data 274: ok 6870 # correct ring bond data 274: ok 6871 # correct ring bond data 274: ok 6872 # correct ring bond data 274: ok 6873 # SSSR size matches reference 274: ok 6874 # correct SSSR count 274: ok 6875 # ring membership passed 274: ok 6876 # correct SSSR count 274: ok 6877 # ring membership passed 274: ok 6878 # correct SSSR count 274: ok 6879 # ring membership passed 274: ok 6880 # correct SSSR count 274: ok 6881 # ring membership passed 274: ok 6882 # correct SSSR count 274: ok 6883 # ring membership passed 274: ok 6884 # correct SSSR count 274: ok 6885 # ring membership passed 274: ok 6886 # correct SSSR count 274: ok 6887 # ring membership passed 274: ok 6888 # correct SSSR count 274: ok 6889 # ring membership passed 274: ok 6890 # correct SSSR count 274: ok 6891 # ring membership passed 274: ok 6892 # correct SSSR count 274: ok 6893 # ring membership passed 274: ok 6894 # correct SSSR count 274: ok 6895 # ring membership passed 274: ok 6896 # correct SSSR count 274: ok 6897 # ring membership passed 274: ok 6898 # correct SSSR count 274: ok 6899 # ring membership passed 274: ok 6900 # correct SSSR count 274: ok 6901 # ring membership passed 274: ok 6902 # correct SSSR count 274: ok 6903 # ring membership passed 274: ok 6904 # correct SSSR count 274: ok 6905 # ring membership passed 274: ok 6906 # correct SSSR count 274: ok 6907 # ring membership passed 274: ok 6908 # correct ring bond data 274: ok 6909 # correct ring bond data 274: ok 6910 # correct ring bond data 274: ok 6911 # correct ring bond data 274: ok 6912 # correct ring bond data 274: ok 6913 # correct ring bond data 274: ok 6914 # correct ring bond data 274: ok 6915 # correct ring bond data 274: ok 6916 # correct ring bond data 274: ok 6917 # correct ring bond data 274: ok 6918 # correct ring bond data 274: ok 6919 # correct ring bond data 274: ok 6920 # correct ring bond data 274: ok 6921 # correct ring bond data 274: ok 6922 # correct ring bond data 274: ok 6923 # correct ring bond data 274: ok 6924 # correct ring bond data 274: ok 6925 # correct ring bond data 274: ok 6926 # correct ring bond data 274: ok 6927 # correct ring bond data 274: ok 6928 # correct ring bond data 274: ok 6929 # correct ring bond data 274: ok 6930 # correct ring bond data 274: ok 6931 # correct ring bond data 274: ok 6932 # correct ring bond data 274: ok 6933 # correct ring bond data 274: ok 6934 # correct ring bond data 274: ok 6935 # correct ring bond data 274: ok 6936 # SSSR size matches reference 274: ok 6937 # correct SSSR count 274: ok 6938 # ring membership passed 274: ok 6939 # correct SSSR count 274: ok 6940 # ring membership passed 274: ok 6941 # correct SSSR count 274: ok 6942 # ring membership passed 274: ok 6943 # correct SSSR count 274: ok 6944 # ring membership passed 274: ok 6945 # correct SSSR count 274: ok 6946 # ring membership passed 274: ok 6947 # correct SSSR count 274: ok 6948 # ring membership passed 274: ok 6949 # correct SSSR count 274: ok 6950 # ring membership passed 274: ok 6951 # correct SSSR count 274: ok 6952 # ring membership passed 274: ok 6953 # correct SSSR count 274: ok 6954 # ring membership passed 274: ok 6955 # correct SSSR count 274: ok 6956 # ring membership passed 274: ok 6957 # correct SSSR count 274: ok 6958 # ring membership passed 274: ok 6959 # correct SSSR count 274: ok 6960 # ring membership passed 274: ok 6961 # correct SSSR count 274: ok 6962 # ring membership passed 274: ok 6963 # correct SSSR count 274: ok 6964 # ring membership passed 274: ok 6965 # correct SSSR count 274: ok 6966 # ring membership passed 274: ok 6967 # correct SSSR count 274: ok 6968 # ring membership passed 274: ok 6969 # correct SSSR count 274: ok 6970 # ring membership passed 274: ok 6971 # correct SSSR count 274: ok 6972 # ring membership passed 274: ok 6973 # correct SSSR count 274: ok 6974 # ring membership passed 274: ok 6975 # correct SSSR count 274: ok 6976 # ring membership passed 274: ok 6977 # correct SSSR count 274: ok 6978 # ring membership passed 274: ok 6979 # correct SSSR count 274: ok 6980 # ring membership passed 274: ok 6981 # correct SSSR count 274: ok 6982 # ring membership passed 274: ok 6983 # correct SSSR count 274: ok 6984 # ring membership passed 274: ok 6985 # correct SSSR count 274: ok 6986 # ring membership passed 274: ok 6987 # correct SSSR count 274: ok 6988 # ring membership passed 274: ok 6989 # correct ring bond data 274: ok 6990 # correct ring bond data 274: ok 6991 # correct ring bond data 274: ok 6992 # correct ring bond data 274: ok 6993 # correct ring bond data 274: ok 6994 # correct ring bond data 274: ok 6995 # correct ring bond data 274: ok 6996 # correct ring bond data 274: ok 6997 # correct ring bond data 274: ok 6998 # correct ring bond data 274: ok 6999 # correct ring bond data 274: ok 7000 # correct ring bond data 274: ok 7001 # correct ring bond data 274: ok 7002 # correct ring bond data 274: ok 7003 # correct ring bond data 274: ok 7004 # correct ring bond data 274: ok 7005 # correct ring bond data 274: ok 7006 # correct ring bond data 274: ok 7007 # correct ring bond data 274: ok 7008 # correct ring bond data 274: ok 7009 # correct ring bond data 274: ok 7010 # correct ring bond data 274: ok 7011 # correct ring bond data 274: ok 7012 # correct ring bond data 274: ok 7013 # correct ring bond data 274: ok 7014 # correct ring bond data 274: ok 7015 # SSSR size matches reference 274: ok 7016 # correct SSSR count 274: ok 7017 # ring membership passed 274: ok 7018 # correct SSSR count 274: ok 7019 # ring membership passed 274: ok 7020 # correct SSSR count 274: ok 7021 # ring membership passed 274: ok 7022 # correct SSSR count 274: ok 7023 # ring membership passed 274: ok 7024 # correct SSSR count 274: ok 7025 # ring membership passed 274: ok 7026 # correct SSSR count 274: ok 7027 # ring membership passed 274: ok 7028 # correct SSSR count 274: ok 7029 # ring membership passed 274: ok 7030 # correct SSSR count 274: ok 7031 # ring membership passed 274: ok 7032 # correct SSSR count 274: ok 7033 # ring membership passed 274: ok 7034 # correct SSSR count 274: ok 7035 # ring membership passed 274: ok 7036 # correct SSSR count 274: ok 7037 # ring membership passed 274: ok 7038 # correct SSSR count 274: ok 7039 # ring membership passed 274: ok 7040 # correct SSSR count 274: ok 7041 # ring membership passed 274: ok 7042 # correct SSSR count 274: ok 7043 # ring membership passed 274: ok 7044 # correct SSSR count 274: ok 7045 # ring membership passed 274: ok 7046 # correct SSSR count 274: ok 7047 # ring membership passed 274: ok 7048 # correct SSSR count 274: ok 7049 # ring membership passed 274: ok 7050 # correct SSSR count 274: ok 7051 # ring membership passed 274: ok 7052 # correct SSSR count 274: ok 7053 # ring membership passed 274: ok 7054 # correct SSSR count 274: ok 7055 # ring membership passed 274: ok 7056 # correct SSSR count 274: ok 7057 # ring membership passed 274: ok 7058 # correct SSSR count 274: ok 7059 # ring membership passed 274: ok 7060 # correct SSSR count 274: ok 7061 # ring membership passed 274: ok 7062 # correct SSSR count 274: ok 7063 # ring membership passed 274: ok 7064 # correct ring bond data 274: ok 7065 # correct ring bond data 274: ok 7066 # correct ring bond data 274: ok 7067 # correct ring bond data 274: ok 7068 # correct ring bond data 274: ok 7069 # correct ring bond data 274: ok 7070 # correct ring bond data 274: ok 7071 # correct ring bond data 274: ok 7072 # correct ring bond data 274: ok 7073 # correct ring bond data 274: ok 7074 # correct ring bond data 274: ok 7075 # correct ring bond data 274: ok 7076 # correct ring bond data 274: ok 7077 # correct ring bond data 274: ok 7078 # SSSR size matches reference 274: ok 7079 # correct SSSR count 274: ok 7080 # ring membership passed 274: ok 7081 # correct SSSR count 274: ok 7082 # ring membership passed 274: ok 7083 # correct SSSR count 274: ok 7084 # ring membership passed 274: ok 7085 # correct SSSR count 274: ok 7086 # ring membership passed 274: ok 7087 # correct SSSR count 274: ok 7088 # ring membership passed 274: ok 7089 # correct SSSR count 274: ok 7090 # ring membership passed 274: ok 7091 # correct SSSR count 274: ok 7092 # ring membership passed 274: ok 7093 # correct SSSR count 274: ok 7094 # ring membership passed 274: ok 7095 # correct SSSR count 274: ok 7096 # ring membership passed 274: ok 7097 # correct SSSR count 274: ok 7098 # ring membership passed 274: ok 7099 # correct SSSR count 274: ok 7100 # ring membership passed 274: ok 7101 # correct SSSR count 274: ok 7102 # ring membership passed 274: ok 7103 # correct SSSR count 274: ok 7104 # ring membership passed 274: ok 7105 # correct SSSR count 274: ok 7106 # ring membership passed 274: ok 7107 # correct ring bond data 274: ok 7108 # correct ring bond data 274: ok 7109 # correct ring bond data 274: ok 7110 # correct ring bond data 274: ok 7111 # correct ring bond data 274: ok 7112 # correct ring bond data 274: ok 7113 # correct ring bond data 274: ok 7114 # correct ring bond data 274: ok 7115 # correct ring bond data 274: ok 7116 # correct ring bond data 274: ok 7117 # correct ring bond data 274: ok 7118 # correct ring bond data 274: ok 7119 # correct ring bond data 274: ok 7120 # correct ring bond data 274: ok 7121 # correct ring bond data 274: ok 7122 # correct ring bond data 274: ok 7123 # correct ring bond data 274: ok 7124 # correct ring bond data 274: ok 7125 # SSSR size matches reference 274: ok 7126 # correct SSSR count 274: ok 7127 # ring membership passed 274: ok 7128 # correct SSSR count 274: ok 7129 # ring membership passed 274: ok 7130 # correct SSSR count 274: ok 7131 # ring membership passed 274: ok 7132 # correct SSSR count 274: ok 7133 # ring membership passed 274: ok 7134 # correct SSSR count 274: ok 7135 # ring membership passed 274: ok 7136 # correct SSSR count 274: ok 7137 # ring membership passed 274: ok 7138 # correct SSSR count 274: ok 7139 # ring membership passed 274: ok 7140 # correct SSSR count 274: ok 7141 # ring membership passed 274: ok 7142 # correct SSSR count 274: ok 7143 # ring membership passed 274: ok 7144 # correct SSSR count 274: ok 7145 # ring membership passed 274: ok 7146 # correct SSSR count 274: ok 7147 # ring membership passed 274: ok 7148 # correct SSSR count 274: ok 7149 # ring membership passed 274: ok 7150 # correct SSSR count 274: ok 7151 # ring membership passed 274: ok 7152 # correct SSSR count 274: ok 7153 # ring membership passed 274: ok 7154 # correct SSSR count 274: ok 7155 # ring membership passed 274: ok 7156 # correct SSSR count 274: ok 7157 # ring membership passed 274: ok 7158 # correct SSSR count 274: ok 7159 # ring membership passed 274: ok 7160 # correct SSSR count 274: ok 7161 # ring membership passed 274: ok 7162 # correct ring bond data 274: ok 7163 # correct ring bond data 274: ok 7164 # correct ring bond data 274: ok 7165 # correct ring bond data 274: ok 7166 # correct ring bond data 274: ok 7167 # correct ring bond data 274: ok 7168 # correct ring bond data 274: ok 7169 # correct ring bond data 274: ok 7170 # correct ring bond data 274: ok 7171 # correct ring bond data 274: ok 7172 # correct ring bond data 274: ok 7173 # correct ring bond data 274: ok 7174 # correct ring bond data 274: ok 7175 # correct ring bond data 274: ok 7176 # correct ring bond data 274: ok 7177 # correct ring bond data 274: ok 7178 # correct ring bond data 274: ok 7179 # correct ring bond data 274: ok 7180 # correct ring bond data 274: ok 7181 # correct ring bond data 274: ok 7182 # correct ring bond data 274: ok 7183 # SSSR size matches reference 274: ok 7184 # correct SSSR count 274: ok 7185 # ring membership passed 274: ok 7186 # correct SSSR count 274: ok 7187 # ring membership passed 274: ok 7188 # correct SSSR count 274: ok 7189 # ring membership passed 274: ok 7190 # correct SSSR count 274: ok 7191 # ring membership passed 274: ok 7192 # correct SSSR count 274: ok 7193 # ring membership passed 274: ok 7194 # correct SSSR count 274: ok 7195 # ring membership passed 274: ok 7196 # correct SSSR count 274: ok 7197 # ring membership passed 274: ok 7198 # correct SSSR count 274: ok 7199 # ring membership passed 274: ok 7200 # correct SSSR count 274: ok 7201 # ring membership passed 274: ok 7202 # correct SSSR count 274: ok 7203 # ring membership passed 274: ok 7204 # correct SSSR count 274: ok 7205 # ring membership passed 274: ok 7206 # correct SSSR count 274: ok 7207 # ring membership passed 274: ok 7208 # correct SSSR count 274: ok 7209 # ring membership passed 274: ok 7210 # correct SSSR count 274: ok 7211 # ring membership passed 274: ok 7212 # correct SSSR count 274: ok 7213 # ring membership passed 274: ok 7214 # correct SSSR count 274: ok 7215 # ring membership passed 274: ok 7216 # correct SSSR count 274: ok 7217 # ring membership passed 274: ok 7218 # correct SSSR count 274: ok 7219 # ring membership passed 274: ok 7220 # correct SSSR count 274: ok 7221 # ring membership passed 274: ok 7222 # correct SSSR count 274: ok 7223 # ring membership passed 274: ok 7224 # correct ring bond data 274: ok 7225 # correct ring bond data 274: ok 7226 # correct ring bond data 274: ok 7227 # correct ring bond data 274: ok 7228 # correct ring bond data 274: ok 7229 # correct ring bond data 274: ok 7230 # correct ring bond data 274: ok 7231 # correct ring bond data 274: ok 7232 # correct ring bond data 274: ok 7233 # correct ring bond data 274: ok 7234 # correct ring bond data 274: ok 7235 # correct ring bond data 274: ok 7236 # correct ring bond data 274: ok 7237 # correct ring bond data 274: ok 7238 # correct ring bond data 274: ok 7239 # correct ring bond data 274: ok 7240 # correct ring bond data 274: ok 7241 # correct ring bond data 274: ok 7242 # correct ring bond data 274: ok 7243 # correct ring bond data 274: ok 7244 # correct ring bond data 274: ok 7245 # correct ring bond data 274: ok 7246 # correct ring bond data 274: ok 7247 # SSSR size matches reference 274: ok 7248 # correct SSSR count 274: ok 7249 # ring membership passed 274: ok 7250 # correct SSSR count 274: ok 7251 # ring membership passed 274: ok 7252 # correct SSSR count 274: ok 7253 # ring membership passed 274: ok 7254 # correct SSSR count 274: ok 7255 # ring membership passed 274: ok 7256 # correct SSSR count 274: ok 7257 # ring membership passed 274: ok 7258 # correct SSSR count 274: ok 7259 # ring membership passed 274: ok 7260 # correct SSSR count 274: ok 7261 # ring membership passed 274: ok 7262 # correct SSSR count 274: ok 7263 # ring membership passed 274: ok 7264 # correct SSSR count 274: ok 7265 # ring membership passed 274: ok 7266 # correct SSSR count 274: ok 7267 # ring membership passed 274: ok 7268 # correct SSSR count 274: ok 7269 # ring membership passed 274: ok 7270 # correct SSSR count 274: ok 7271 # ring membership passed 274: ok 7272 # correct SSSR count 274: ok 7273 # ring membership passed 274: ok 7274 # correct SSSR count 274: ok 7275 # ring membership passed 274: ok 7276 # correct SSSR count 274: ok 7277 # ring membership passed 274: ok 7278 # correct SSSR count 274: ok 7279 # ring membership passed 274: ok 7280 # correct SSSR count 274: ok 7281 # ring membership passed 274: ok 7282 # correct SSSR count 274: ok 7283 # ring membership passed 274: ok 7284 # correct SSSR count 274: ok 7285 # ring membership passed 274: ok 7286 # correct SSSR count 274: ok 7287 # ring membership passed 274: ok 7288 # correct ring bond data 274: ok 7289 # correct ring bond data 274: ok 7290 # correct ring bond data 274: ok 7291 # correct ring bond data 274: ok 7292 # correct ring bond data 274: ok 7293 # correct ring bond data 274: ok 7294 # correct ring bond data 274: ok 7295 # correct ring bond data 274: ok 7296 # correct ring bond data 274: ok 7297 # correct ring bond data 274: ok 7298 # correct ring bond data 274: ok 7299 # SSSR size matches reference 274: ok 7300 # correct SSSR count 274: ok 7301 # ring membership passed 274: ok 7302 # correct SSSR count 274: ok 7303 # ring membership passed 274: ok 7304 # correct SSSR count 274: ok 7305 # ring membership passed 274: ok 7306 # correct SSSR count 274: ok 7307 # ring membership passed 274: ok 7308 # correct SSSR count 274: ok 7309 # ring membership passed 274: ok 7310 # correct SSSR count 274: ok 7311 # ring membership passed 274: ok 7312 # correct SSSR count 274: ok 7313 # ring membership passed 274: ok 7314 # correct SSSR count 274: ok 7315 # ring membership passed 274: ok 7316 # correct SSSR count 274: ok 7317 # ring membership passed 274: ok 7318 # correct SSSR count 274: ok 7319 # ring membership passed 274: ok 7320 # correct SSSR count 274: ok 7321 # ring membership passed 274: ok 7322 # correct SSSR count 274: ok 7323 # ring membership passed 274: ok 7324 # correct ring bond data 274: ok 7325 # correct ring bond data 274: ok 7326 # correct ring bond data 274: ok 7327 # correct ring bond data 274: ok 7328 # correct ring bond data 274: ok 7329 # correct ring bond data 274: ok 7330 # correct ring bond data 274: ok 7331 # correct ring bond data 274: ok 7332 # correct ring bond data 274: ok 7333 # correct ring bond data 274: ok 7334 # correct ring bond data 274: ok 7335 # correct ring bond data 274: ok 7336 # correct ring bond data 274: ok 7337 # correct ring bond data 274: ok 7338 # correct ring bond data 274: ok 7339 # correct ring bond data 274: ok 7340 # correct ring bond data 274: ok 7341 # correct ring bond data 274: ok 7342 # correct ring bond data 274: ok 7343 # correct ring bond data 274: ok 7344 # correct ring bond data 274: ok 7345 # correct ring bond data 274: ok 7346 # correct ring bond data 274: ok 7347 # correct ring bond data 274: ok 7348 # correct ring bond data 274: ok 7349 # correct ring bond data 274: ok 7350 # correct ring bond data 274: ok 7351 # correct ring bond data 274: ok 7352 # correct ring bond data 274: ok 7353 # correct ring bond data 274: ok 7354 # SSSR size matches reference 274: ok 7355 # correct SSSR count 274: ok 7356 # ring membership passed 274: ok 7357 # correct SSSR count 274: ok 7358 # ring membership passed 274: ok 7359 # correct SSSR count 274: ok 7360 # ring membership passed 274: ok 7361 # correct SSSR count 274: ok 7362 # ring membership passed 274: ok 7363 # correct SSSR count 274: ok 7364 # ring membership passed 274: ok 7365 # correct SSSR count 274: ok 7366 # ring membership passed 274: ok 7367 # correct SSSR count 274: ok 7368 # ring membership passed 274: ok 7369 # correct SSSR count 274: ok 7370 # ring membership passed 274: ok 7371 # correct SSSR count 274: ok 7372 # ring membership passed 274: ok 7373 # correct SSSR count 274: ok 7374 # ring membership passed 274: ok 7375 # correct SSSR count 274: ok 7376 # ring membership passed 274: ok 7377 # correct SSSR count 274: ok 7378 # ring membership passed 274: ok 7379 # correct SSSR count 274: ok 7380 # ring membership passed 274: ok 7381 # correct SSSR count 274: ok 7382 # ring membership passed 274: ok 7383 # correct SSSR count 274: ok 7384 # ring membership passed 274: ok 7385 # correct SSSR count 274: ok 7386 # ring membership passed 274: ok 7387 # correct SSSR count 274: ok 7388 # ring membership passed 274: ok 7389 # correct SSSR count 274: ok 7390 # ring membership passed 274: ok 7391 # correct SSSR count 274: ok 7392 # ring membership passed 274: ok 7393 # correct SSSR count 274: ok 7394 # ring membership passed 274: ok 7395 # correct SSSR count 274: ok 7396 # ring membership passed 274: ok 7397 # correct SSSR count 274: ok 7398 # ring membership passed 274: ok 7399 # correct SSSR count 274: ok 7400 # ring membership passed 274: ok 7401 # correct SSSR count 274: ok 7402 # ring membership passed 274: ok 7403 # correct SSSR count 274: ok 7404 # ring membership passed 274: ok 7405 # correct SSSR count 274: ok 7406 # ring membership passed 274: ok 7407 # correct ring bond data 274: ok 7408 # correct ring bond data 274: ok 7409 # correct ring bond data 274: ok 7410 # correct ring bond data 274: ok 7411 # correct ring bond data 274: ok 7412 # correct ring bond data 274: ok 7413 # correct ring bond data 274: ok 7414 # correct ring bond data 274: ok 7415 # correct ring bond data 274: ok 7416 # correct ring bond data 274: ok 7417 # correct ring bond data 274: ok 7418 # correct ring bond data 274: ok 7419 # SSSR size matches reference 274: ok 7420 # correct SSSR count 274: ok 7421 # ring membership passed 274: ok 7422 # correct SSSR count 274: ok 7423 # ring membership passed 274: ok 7424 # correct SSSR count 274: ok 7425 # ring membership passed 274: ok 7426 # correct SSSR count 274: ok 7427 # ring membership passed 274: ok 7428 # correct SSSR count 274: ok 7429 # ring membership passed 274: ok 7430 # correct SSSR count 274: ok 7431 # ring membership passed 274: ok 7432 # correct SSSR count 274: ok 7433 # ring membership passed 274: ok 7434 # correct SSSR count 274: ok 7435 # ring membership passed 274: ok 7436 # correct SSSR count 274: ok 7437 # ring membership passed 274: ok 7438 # correct SSSR count 274: ok 7439 # ring membership passed 274: ok 7440 # correct SSSR count 274: ok 7441 # ring membership passed 274: ok 7442 # correct ring bond data 274: ok 7443 # correct ring bond data 274: ok 7444 # correct ring bond data 274: ok 7445 # correct ring bond data 274: ok 7446 # correct ring bond data 274: ok 7447 # correct ring bond data 274: ok 7448 # correct ring bond data 274: ok 7449 # correct ring bond data 274: ok 7450 # correct ring bond data 274: ok 7451 # correct ring bond data 274: ok 7452 # correct ring bond data 274: ok 7453 # correct ring bond data 274: ok 7454 # correct ring bond data 274: ok 7455 # correct ring bond data 274: ok 7456 # correct ring bond data 274: ok 7457 # correct ring bond data 274: ok 7458 # correct ring bond data 274: ok 7459 # correct ring bond data 274: ok 7460 # correct ring bond data 274: ok 7461 # correct ring bond data 274: ok 7462 # correct ring bond data 274: ok 7463 # correct ring bond data 274: ok 7464 # correct ring bond data 274: ok 7465 # SSSR size matches reference 274: ok 7466 # correct SSSR count 274: ok 7467 # ring membership passed 274: ok 7468 # correct SSSR count 274: ok 7469 # ring membership passed 274: ok 7470 # correct SSSR count 274: ok 7471 # ring membership passed 274: ok 7472 # correct SSSR count 274: ok 7473 # ring membership passed 274: ok 7474 # correct SSSR count 274: ok 7475 # ring membership passed 274: ok 7476 # correct SSSR count 274: ok 7477 # ring membership passed 274: ok 7478 # correct SSSR count 274: ok 7479 # ring membership passed 274: ok 7480 # correct SSSR count 274: ok 7481 # ring membership passed 274: ok 7482 # correct SSSR count 274: ok 7483 # ring membership passed 274: ok 7484 # correct SSSR count 274: ok 7485 # ring membership passed 274: ok 7486 # correct SSSR count 274: ok 7487 # ring membership passed 274: ok 7488 # correct SSSR count 274: ok 7489 # ring membership passed 274: ok 7490 # correct SSSR count 274: ok 7491 # ring membership passed 274: ok 7492 # correct SSSR count 274: ok 7493 # ring membership passed 274: ok 7494 # correct SSSR count 274: ok 7495 # ring membership passed 274: ok 7496 # correct SSSR count 274: ok 7497 # ring membership passed 274: ok 7498 # correct SSSR count 274: ok 7499 # ring membership passed 274: ok 7500 # correct SSSR count 274: ok 7501 # ring membership passed 274: ok 7502 # correct SSSR count 274: ok 7503 # ring membership passed 274: ok 7504 # correct SSSR count 274: ok 7505 # ring membership passed 274: ok 7506 # correct ring bond data 274: ok 7507 # correct ring bond data 274: ok 7508 # correct ring bond data 274: ok 7509 # correct ring bond data 274: ok 7510 # correct ring bond data 274: ok 7511 # correct ring bond data 274: ok 7512 # correct ring bond data 274: ok 7513 # correct ring bond data 274: ok 7514 # correct ring bond data 274: ok 7515 # correct ring bond data 274: ok 7516 # correct ring bond data 274: ok 7517 # correct ring bond data 274: ok 7518 # correct ring bond data 274: ok 7519 # SSSR size matches reference 274: ok 7520 # correct SSSR count 274: ok 7521 # ring membership passed 274: ok 7522 # correct SSSR count 274: ok 7523 # ring membership passed 274: ok 7524 # correct SSSR count 274: ok 7525 # ring membership passed 274: ok 7526 # correct SSSR count 274: ok 7527 # ring membership passed 274: ok 7528 # correct SSSR count 274: ok 7529 # ring membership passed 274: ok 7530 # correct SSSR count 274: ok 7531 # ring membership passed 274: ok 7532 # correct SSSR count 274: ok 7533 # ring membership passed 274: ok 7534 # correct SSSR count 274: ok 7535 # ring membership passed 274: ok 7536 # correct SSSR count 274: ok 7537 # ring membership passed 274: ok 7538 # correct SSSR count 274: ok 7539 # ring membership passed 274: ok 7540 # correct SSSR count 274: ok 7541 # ring membership passed 274: ok 7542 # correct SSSR count 274: ok 7543 # ring membership passed 274: ok 7544 # correct SSSR count 274: ok 7545 # ring membership passed 274: ok 7546 # correct SSSR count 274: ok 7547 # ring membership passed 274: ok 7548 # correct ring bond data 274: ok 7549 # correct ring bond data 274: ok 7550 # correct ring bond data 274: ok 7551 # correct ring bond data 274: ok 7552 # correct ring bond data 274: ok 7553 # correct ring bond data 274: ok 7554 # correct ring bond data 274: ok 7555 # correct ring bond data 274: ok 7556 # correct ring bond data 274: ok 7557 # correct ring bond data 274: ok 7558 # correct ring bond data 274: ok 7559 # correct ring bond data 274: ok 7560 # correct ring bond data 274: ok 7561 # correct ring bond data 274: ok 7562 # correct ring bond data 274: ok 7563 # correct ring bond data 274: ok 7564 # correct ring bond data 274: ok 7565 # correct ring bond data 274: ok 7566 # correct ring bond data 274: ok 7567 # correct ring bond data 274: ok 7568 # correct ring bond data 274: ok 7569 # correct ring bond data 274: ok 7570 # correct ring bond data 274: ok 7571 # correct ring bond data 274: ok 7572 # correct ring bond data 274: ok 7573 # correct ring bond data 274: ok 7574 # correct ring bond data 274: ok 7575 # SSSR size matches reference 274: ok 7576 # correct SSSR count 274: ok 7577 # ring membership passed 274: ok 7578 # correct SSSR count 274: ok 7579 # ring membership passed 274: ok 7580 # correct SSSR count 274: ok 7581 # ring membership passed 274: ok 7582 # correct SSSR count 274: ok 7583 # ring membership passed 274: ok 7584 # correct SSSR count 274: ok 7585 # ring membership passed 274: ok 7586 # correct SSSR count 274: ok 7587 # ring membership passed 274: ok 7588 # correct SSSR count 274: ok 7589 # ring membership passed 274: ok 7590 # correct SSSR count 274: ok 7591 # ring membership passed 274: ok 7592 # correct SSSR count 274: ok 7593 # ring membership passed 274: ok 7594 # correct SSSR count 274: ok 7595 # ring membership passed 274: ok 7596 # correct SSSR count 274: ok 7597 # ring membership passed 274: ok 7598 # correct SSSR count 274: ok 7599 # ring membership passed 274: ok 7600 # correct SSSR count 274: ok 7601 # ring membership passed 274: ok 7602 # correct SSSR count 274: ok 7603 # ring membership passed 274: ok 7604 # correct SSSR count 274: ok 7605 # ring membership passed 274: ok 7606 # correct SSSR count 274: ok 7607 # ring membership passed 274: ok 7608 # correct SSSR count 274: ok 7609 # ring membership passed 274: ok 7610 # correct SSSR count 274: ok 7611 # ring membership passed 274: ok 7612 # correct SSSR count 274: ok 7613 # ring membership passed 274: ok 7614 # correct SSSR count 274: ok 7615 # ring membership passed 274: ok 7616 # correct SSSR count 274: ok 7617 # ring membership passed 274: ok 7618 # correct SSSR count 274: ok 7619 # ring membership passed 274: ok 7620 # correct SSSR count 274: ok 7621 # ring membership passed 274: ok 7622 # correct SSSR count 274: ok 7623 # ring membership passed 274: ok 7624 # correct SSSR count 274: ok 7625 # ring membership passed 274: ok 7626 # correct SSSR count 274: ok 7627 # ring membership passed 274: ok 7628 # correct ring bond data 274: ok 7629 # correct ring bond data 274: ok 7630 # correct ring bond data 274: ok 7631 # correct ring bond data 274: ok 7632 # correct ring bond data 274: ok 7633 # correct ring bond data 274: ok 7634 # correct ring bond data 274: ok 7635 # correct ring bond data 274: ok 7636 # correct ring bond data 274: ok 7637 # correct ring bond data 274: ok 7638 # correct ring bond data 274: ok 7639 # correct ring bond data 274: ok 7640 # correct ring bond data 274: ok 7641 # correct ring bond data 274: ok 7642 # correct ring bond data 274: ok 7643 # correct ring bond data 274: ok 7644 # correct ring bond data 274: ok 7645 # correct ring bond data 274: ok 7646 # correct ring bond data 274: ok 7647 # correct ring bond data 274: ok 7648 # correct ring bond data 274: ok 7649 # correct ring bond data 274: ok 7650 # correct ring bond data 274: ok 7651 # correct ring bond data 274: ok 7652 # correct ring bond data 274: ok 7653 # correct ring bond data 274: ok 7654 # correct ring bond data 274: ok 7655 # SSSR size matches reference 274: ok 7656 # correct SSSR count 274: ok 7657 # ring membership passed 274: ok 7658 # correct SSSR count 274: ok 7659 # ring membership passed 274: ok 7660 # correct SSSR count 274: ok 7661 # ring membership passed 274: ok 7662 # correct SSSR count 274: ok 7663 # ring membership passed 274: ok 7664 # correct SSSR count 274: ok 7665 # ring membership passed 274: ok 7666 # correct SSSR count 274: ok 7667 # ring membership passed 274: ok 7668 # correct SSSR count 274: ok 7669 # ring membership passed 274: ok 7670 # correct SSSR count 274: ok 7671 # ring membership passed 274: ok 7672 # correct SSSR count 274: ok 7673 # ring membership passed 274: ok 7674 # correct SSSR count 274: ok 7675 # ring membership passed 274: ok 7676 # correct SSSR count 274: ok 7677 # ring membership passed 274: ok 7678 # correct SSSR count 274: ok 7679 # ring membership passed 274: ok 7680 # correct SSSR count 274: ok 7681 # ring membership passed 274: ok 7682 # correct SSSR count 274: ok 7683 # ring membership passed 274: ok 7684 # correct SSSR count 274: ok 7685 # ring membership passed 274: ok 7686 # correct SSSR count 274: ok 7687 # ring membership passed 274: ok 7688 # correct SSSR count 274: ok 7689 # ring membership passed 274: ok 7690 # correct SSSR count 274: ok 7691 # ring membership passed 274: ok 7692 # correct SSSR count 274: ok 7693 # ring membership passed 274: ok 7694 # correct SSSR count 274: ok 7695 # ring membership passed 274: ok 7696 # correct SSSR count 274: ok 7697 # ring membership passed 274: ok 7698 # correct SSSR count 274: ok 7699 # ring membership passed 274: ok 7700 # correct SSSR count 274: ok 7701 # ring membership passed 274: ok 7702 # correct ring bond data 274: ok 7703 # correct ring bond data 274: ok 7704 # correct ring bond data 274: ok 7705 # correct ring bond data 274: ok 7706 # correct ring bond data 274: ok 7707 # correct ring bond data 274: ok 7708 # correct ring bond data 274: ok 7709 # correct ring bond data 274: ok 7710 # correct ring bond data 274: ok 7711 # correct ring bond data 274: ok 7712 # correct ring bond data 274: ok 7713 # correct ring bond data 274: ok 7714 # correct ring bond data 274: ok 7715 # correct ring bond data 274: ok 7716 # correct ring bond data 274: ok 7717 # SSSR size matches reference 274: ok 7718 # correct SSSR count 274: ok 7719 # ring membership passed 274: ok 7720 # correct SSSR count 274: ok 7721 # ring membership passed 274: ok 7722 # correct SSSR count 274: ok 7723 # ring membership passed 274: ok 7724 # correct SSSR count 274: ok 7725 # ring membership passed 274: ok 7726 # correct SSSR count 274: ok 7727 # ring membership passed 274: ok 7728 # correct SSSR count 274: ok 7729 # ring membership passed 274: ok 7730 # correct SSSR count 274: ok 7731 # ring membership passed 274: ok 7732 # correct SSSR count 274: ok 7733 # ring membership passed 274: ok 7734 # correct SSSR count 274: ok 7735 # ring membership passed 274: ok 7736 # correct SSSR count 274: ok 7737 # ring membership passed 274: ok 7738 # correct SSSR count 274: ok 7739 # ring membership passed 274: ok 7740 # correct SSSR count 274: ok 7741 # ring membership passed 274: ok 7742 # correct SSSR count 274: ok 7743 # ring membership passed 274: ok 7744 # correct SSSR count 274: ok 7745 # ring membership passed 274: ok 7746 # correct ring bond data 274: ok 7747 # correct ring bond data 274: ok 7748 # correct ring bond data 274: ok 7749 # correct ring bond data 274: ok 7750 # correct ring bond data 274: ok 7751 # correct ring bond data 274: ok 7752 # correct ring bond data 274: ok 7753 # correct ring bond data 274: ok 7754 # correct ring bond data 274: ok 7755 # correct ring bond data 274: ok 7756 # correct ring bond data 274: ok 7757 # correct ring bond data 274: ok 7758 # correct ring bond data 274: ok 7759 # SSSR size matches reference 274: ok 7760 # correct SSSR count 274: ok 7761 # ring membership passed 274: ok 7762 # correct SSSR count 274: ok 7763 # ring membership passed 274: ok 7764 # correct SSSR count 274: ok 7765 # ring membership passed 274: ok 7766 # correct SSSR count 274: ok 7767 # ring membership passed 274: ok 7768 # correct SSSR count 274: ok 7769 # ring membership passed 274: ok 7770 # correct SSSR count 274: ok 7771 # ring membership passed 274: ok 7772 # correct SSSR count 274: ok 7773 # ring membership passed 274: ok 7774 # correct SSSR count 274: ok 7775 # ring membership passed 274: ok 7776 # correct SSSR count 274: ok 7777 # ring membership passed 274: ok 7778 # correct SSSR count 274: ok 7779 # ring membership passed 274: ok 7780 # correct SSSR count 274: ok 7781 # ring membership passed 274: ok 7782 # correct SSSR count 274: ok 7783 # ring membership passed 274: ok 7784 # correct SSSR count 274: ok 7785 # ring membership passed 274: ok 7786 # correct SSSR count 274: ok 7787 # ring membership passed 274: ok 7788 # correct ring bond data 274: ok 7789 # correct ring bond data 274: ok 7790 # correct ring bond data 274: ok 7791 # correct ring bond data 274: ok 7792 # correct ring bond data 274: ok 7793 # correct ring bond data 274: ok 7794 # correct ring bond data 274: ok 7795 # correct ring bond data 274: ok 7796 # correct ring bond data 274: ok 7797 # correct ring bond data 274: ok 7798 # correct ring bond data 274: ok 7799 # correct ring bond data 274: ok 7800 # correct ring bond data 274: ok 7801 # correct ring bond data 274: ok 7802 # correct ring bond data 274: ok 7803 # correct ring bond data 274: ok 7804 # correct ring bond data 274: ok 7805 # correct ring bond data 274: ok 7806 # correct ring bond data 274: ok 7807 # correct ring bond data 274: ok 7808 # correct ring bond data 274: ok 7809 # correct ring bond data 274: ok 7810 # correct ring bond data 274: ok 7811 # correct ring bond data 274: ok 7812 # correct ring bond data 274: ok 7813 # correct ring bond data 274: ok 7814 # correct ring bond data 274: ok 7815 # correct ring bond data 274: ok 7816 # correct ring bond data 274: ok 7817 # correct ring bond data 274: ok 7818 # correct ring bond data 274: ok 7819 # correct ring bond data 274: ok 7820 # correct ring bond data 274: ok 7821 # SSSR size matches reference 274: ok 7822 # correct SSSR count 274: ok 7823 # ring membership passed 274: ok 7824 # correct SSSR count 274: ok 7825 # ring membership passed 274: ok 7826 # correct SSSR count 274: ok 7827 # ring membership passed 274: ok 7828 # correct SSSR count 274: ok 7829 # ring membership passed 274: ok 7830 # correct SSSR count 274: ok 7831 # ring membership passed 274: ok 7832 # correct SSSR count 274: ok 7833 # ring membership passed 274: ok 7834 # correct SSSR count 274: ok 7835 # ring membership passed 274: ok 7836 # correct SSSR count 274: ok 7837 # ring membership passed 274: ok 7838 # correct SSSR count 274: ok 7839 # ring membership passed 274: ok 7840 # correct SSSR count 274: ok 7841 # ring membership passed 274: ok 7842 # correct SSSR count 274: ok 7843 # ring membership passed 274: ok 7844 # correct SSSR count 274: ok 7845 # ring membership passed 274: ok 7846 # correct SSSR count 274: ok 7847 # ring membership passed 274: ok 7848 # correct SSSR count 274: ok 7849 # ring membership passed 274: ok 7850 # correct SSSR count 274: ok 7851 # ring membership passed 274: ok 7852 # correct SSSR count 274: ok 7853 # ring membership passed 274: ok 7854 # correct SSSR count 274: ok 7855 # ring membership passed 274: ok 7856 # correct SSSR count 274: ok 7857 # ring membership passed 274: ok 7858 # correct SSSR count 274: ok 7859 # ring membership passed 274: ok 7860 # correct SSSR count 274: ok 7861 # ring membership passed 274: ok 7862 # correct SSSR count 274: ok 7863 # ring membership passed 274: ok 7864 # correct SSSR count 274: ok 7865 # ring membership passed 274: ok 7866 # correct SSSR count 274: ok 7867 # ring membership passed 274: ok 7868 # correct SSSR count 274: ok 7869 # ring membership passed 274: ok 7870 # correct SSSR count 274: ok 7871 # ring membership passed 274: ok 7872 # correct SSSR count 274: ok 7873 # ring membership passed 274: ok 7874 # correct SSSR count 274: ok 7875 # ring membership passed 274: ok 7876 # correct SSSR count 274: ok 7877 # ring membership passed 274: ok 7878 # correct SSSR count 274: ok 7879 # ring membership passed 274: ok 7880 # correct SSSR count 274: ok 7881 # ring membership passed 274: ok 7882 # correct ring bond data 274: ok 7883 # correct ring bond data 274: ok 7884 # correct ring bond data 274: ok 7885 # correct ring bond data 274: ok 7886 # correct ring bond data 274: ok 7887 # correct ring bond data 274: ok 7888 # correct ring bond data 274: ok 7889 # correct ring bond data 274: ok 7890 # correct ring bond data 274: ok 7891 # correct ring bond data 274: ok 7892 # correct ring bond data 274: ok 7893 # correct ring bond data 274: ok 7894 # correct ring bond data 274: ok 7895 # correct ring bond data 274: ok 7896 # correct ring bond data 274: ok 7897 # correct ring bond data 274: ok 7898 # correct ring bond data 274: ok 7899 # correct ring bond data 274: ok 7900 # correct ring bond data 274: ok 7901 # correct ring bond data 274: ok 7902 # correct ring bond data 274: ok 7903 # SSSR size matches reference 274: ok 7904 # correct SSSR count 274: ok 7905 # ring membership passed 274: ok 7906 # correct SSSR count 274: ok 7907 # ring membership passed 274: ok 7908 # correct SSSR count 274: ok 7909 # ring membership passed 274: ok 7910 # correct SSSR count 274: ok 7911 # ring membership passed 274: ok 7912 # correct SSSR count 274: ok 7913 # ring membership passed 274: ok 7914 # correct SSSR count 274: ok 7915 # ring membership passed 274: ok 7916 # correct SSSR count 274: ok 7917 # ring membership passed 274: ok 7918 # correct SSSR count 274: ok 7919 # ring membership passed 274: ok 7920 # correct SSSR count 274: ok 7921 # ring membership passed 274: ok 7922 # correct SSSR count 274: ok 7923 # ring membership passed 274: ok 7924 # correct SSSR count 274: ok 7925 # ring membership passed 274: ok 7926 # correct SSSR count 274: ok 7927 # ring membership passed 274: ok 7928 # correct SSSR count 274: ok 7929 # ring membership passed 274: ok 7930 # correct SSSR count 274: ok 7931 # ring membership passed 274: ok 7932 # correct SSSR count 274: ok 7933 # ring membership passed 274: ok 7934 # correct SSSR count 274: ok 7935 # ring membership passed 274: ok 7936 # correct SSSR count 274: ok 7937 # ring membership passed 274: ok 7938 # correct SSSR count 274: ok 7939 # ring membership passed 274: ok 7940 # correct SSSR count 274: ok 7941 # ring membership passed 274: ok 7942 # correct SSSR count 274: ok 7943 # ring membership passed 274: ok 7944 # correct ring bond data 274: ok 7945 # correct ring bond data 274: ok 7946 # correct ring bond data 274: ok 7947 # correct ring bond data 274: ok 7948 # correct ring bond data 274: ok 7949 # correct ring bond data 274: ok 7950 # correct ring bond data 274: ok 7951 # correct ring bond data 274: ok 7952 # correct ring bond data 274: ok 7953 # correct ring bond data 274: ok 7954 # correct ring bond data 274: ok 7955 # correct ring bond data 274: ok 7956 # correct ring bond data 274: ok 7957 # correct ring bond data 274: ok 7958 # correct ring bond data 274: ok 7959 # correct ring bond data 274: ok 7960 # correct ring bond data 274: ok 7961 # correct ring bond data 274: ok 7962 # correct ring bond data 274: ok 7963 # correct ring bond data 274: ok 7964 # correct ring bond data 274: ok 7965 # correct ring bond data 274: ok 7966 # correct ring bond data 274: ok 7967 # correct ring bond data 274: ok 7968 # correct ring bond data 274: ok 7969 # correct ring bond data 274: ok 7970 # correct ring bond data 274: ok 7971 # SSSR size matches reference 274: ok 7972 # correct SSSR count 274: ok 7973 # ring membership passed 274: ok 7974 # correct SSSR count 274: ok 7975 # ring membership passed 274: ok 7976 # correct SSSR count 274: ok 7977 # ring membership passed 274: ok 7978 # correct SSSR count 274: ok 7979 # ring membership passed 274: ok 7980 # correct SSSR count 274: ok 7981 # ring membership passed 274: ok 7982 # correct SSSR count 274: ok 7983 # ring membership passed 274: ok 7984 # correct SSSR count 274: ok 7985 # ring membership passed 274: ok 7986 # correct SSSR count 274: ok 7987 # ring membership passed 274: ok 7988 # correct SSSR count 274: ok 7989 # ring membership passed 274: ok 7990 # correct SSSR count 274: ok 7991 # ring membership passed 274: ok 7992 # correct SSSR count 274: ok 7993 # ring membership passed 274: ok 7994 # correct SSSR count 274: ok 7995 # ring membership passed 274: ok 7996 # correct SSSR count 274: ok 7997 # ring membership passed 274: ok 7998 # correct SSSR count 274: ok 7999 # ring membership passed 274: ok 8000 # correct SSSR count 274: ok 8001 # ring membership passed 274: ok 8002 # correct SSSR count 274: ok 8003 # ring membership passed 274: ok 8004 # correct SSSR count 274: ok 8005 # ring membership passed 274: ok 8006 # correct SSSR count 274: ok 8007 # ring membership passed 274: ok 8008 # correct SSSR count 274: ok 8009 # ring membership passed 274: ok 8010 # correct SSSR count 274: ok 8011 # ring membership passed 274: ok 8012 # correct SSSR count 274: ok 8013 # ring membership passed 274: ok 8014 # correct SSSR count 274: ok 8015 # ring membership passed 274: ok 8016 # correct SSSR count 274: ok 8017 # ring membership passed 274: ok 8018 # correct SSSR count 274: ok 8019 # ring membership passed 274: ok 8020 # correct SSSR count 274: ok 8021 # ring membership passed 274: ok 8022 # correct SSSR count 274: ok 8023 # ring membership passed 274: ok 8024 # correct ring bond data 274: ok 8025 # correct ring bond data 274: ok 8026 # correct ring bond data 274: ok 8027 # correct ring bond data 274: ok 8028 # correct ring bond data 274: ok 8029 # correct ring bond data 274: ok 8030 # correct ring bond data 274: ok 8031 # correct ring bond data 274: ok 8032 # correct ring bond data 274: ok 8033 # correct ring bond data 274: ok 8034 # correct ring bond data 274: ok 8035 # correct ring bond data 274: ok 8036 # correct ring bond data 274: ok 8037 # correct ring bond data 274: ok 8038 # correct ring bond data 274: ok 8039 # correct ring bond data 274: ok 8040 # correct ring bond data 274: ok 8041 # correct ring bond data 274: ok 8042 # correct ring bond data 274: ok 8043 # correct ring bond data 274: ok 8044 # correct ring bond data 274: ok 8045 # correct ring bond data 274: ok 8046 # correct ring bond data 274: ok 8047 # correct ring bond data 274: ok 8048 # correct ring bond data 274: ok 8049 # SSSR size matches reference 274: ok 8050 # correct SSSR count 274: ok 8051 # ring membership passed 274: ok 8052 # correct SSSR count 274: ok 8053 # ring membership passed 274: ok 8054 # correct SSSR count 274: ok 8055 # ring membership passed 274: ok 8056 # correct SSSR count 274: ok 8057 # ring membership passed 274: ok 8058 # correct SSSR count 274: ok 8059 # ring membership passed 274: ok 8060 # correct SSSR count 274: ok 8061 # ring membership passed 274: ok 8062 # correct SSSR count 274: ok 8063 # ring membership passed 274: ok 8064 # correct SSSR count 274: ok 8065 # ring membership passed 274: ok 8066 # correct SSSR count 274: ok 8067 # ring membership passed 274: ok 8068 # correct SSSR count 274: ok 8069 # ring membership passed 274: ok 8070 # correct SSSR count 274: ok 8071 # ring membership passed 274: ok 8072 # correct SSSR count 274: ok 8073 # ring membership passed 274: ok 8074 # correct SSSR count 274: ok 8075 # ring membership passed 274: ok 8076 # correct SSSR count 274: ok 8077 # ring membership passed 274: ok 8078 # correct SSSR count 274: ok 8079 # ring membership passed 274: ok 8080 # correct SSSR count 274: ok 8081 # ring membership passed 274: ok 8082 # correct SSSR count 274: ok 8083 # ring membership passed 274: ok 8084 # correct SSSR count 274: ok 8085 # ring membership passed 274: ok 8086 # correct SSSR count 274: ok 8087 # ring membership passed 274: ok 8088 # correct SSSR count 274: ok 8089 # ring membership passed 274: ok 8090 # correct SSSR count 274: ok 8091 # ring membership passed 274: ok 8092 # correct SSSR count 274: ok 8093 # ring membership passed 274: ok 8094 # correct SSSR count 274: ok 8095 # ring membership passed 274: ok 8096 # correct SSSR count 274: ok 8097 # ring membership passed 274: ok 8098 # correct ring bond data 274: ok 8099 # correct ring bond data 274: ok 8100 # correct ring bond data 274: ok 8101 # correct ring bond data 274: ok 8102 # correct ring bond data 274: ok 8103 # correct ring bond data 274: ok 8104 # correct ring bond data 274: ok 8105 # correct ring bond data 274: ok 8106 # correct ring bond data 274: ok 8107 # correct ring bond data 274: ok 8108 # correct ring bond data 274: ok 8109 # correct ring bond data 274: ok 8110 # correct ring bond data 274: ok 8111 # correct ring bond data 274: ok 8112 # correct ring bond data 274: ok 8113 # correct ring bond data 274: ok 8114 # correct ring bond data 274: ok 8115 # correct ring bond data 274: ok 8116 # correct ring bond data 274: ok 8117 # correct ring bond data 274: ok 8118 # correct ring bond data 274: ok 8119 # correct ring bond data 274: ok 8120 # correct ring bond data 274: ok 8121 # correct ring bond data 274: ok 8122 # correct ring bond data 274: ok 8123 # correct ring bond data 274: ok 8124 # correct ring bond data 274: ok 8125 # correct ring bond data 274: ok 8126 # correct ring bond data 274: ok 8127 # correct ring bond data 274: ok 8128 # correct ring bond data 274: ok 8129 # correct ring bond data 274: ok 8130 # correct ring bond data 274: ok 8131 # SSSR size matches reference 274: ok 8132 # correct SSSR count 274: ok 8133 # ring membership passed 274: ok 8134 # correct SSSR count 274: ok 8135 # ring membership passed 274: ok 8136 # correct SSSR count 274: ok 8137 # ring membership passed 274: ok 8138 # correct SSSR count 274: ok 8139 # ring membership passed 274: ok 8140 # correct SSSR count 274: ok 8141 # ring membership passed 274: ok 8142 # correct SSSR count 274: ok 8143 # ring membership passed 274: ok 8144 # correct SSSR count 274: ok 8145 # ring membership passed 274: ok 8146 # correct SSSR count 274: ok 8147 # ring membership passed 274: ok 8148 # correct SSSR count 274: ok 8149 # ring membership passed 274: ok 8150 # correct SSSR count 274: ok 8151 # ring membership passed 274: ok 8152 # correct SSSR count 274: ok 8153 # ring membership passed 274: ok 8154 # correct SSSR count 274: ok 8155 # ring membership passed 274: ok 8156 # correct SSSR count 274: ok 8157 # ring membership passed 274: ok 8158 # correct SSSR count 274: ok 8159 # ring membership passed 274: ok 8160 # correct SSSR count 274: ok 8161 # ring membership passed 274: ok 8162 # correct SSSR count 274: ok 8163 # ring membership passed 274: ok 8164 # correct SSSR count 274: ok 8165 # ring membership passed 274: ok 8166 # correct SSSR count 274: ok 8167 # ring membership passed 274: ok 8168 # correct SSSR count 274: ok 8169 # ring membership passed 274: ok 8170 # correct SSSR count 274: ok 8171 # ring membership passed 274: ok 8172 # correct SSSR count 274: ok 8173 # ring membership passed 274: ok 8174 # correct SSSR count 274: ok 8175 # ring membership passed 274: ok 8176 # correct SSSR count 274: ok 8177 # ring membership passed 274: ok 8178 # correct SSSR count 274: ok 8179 # ring membership passed 274: ok 8180 # correct SSSR count 274: ok 8181 # ring membership passed 274: ok 8182 # correct SSSR count 274: ok 8183 # ring membership passed 274: ok 8184 # correct SSSR count 274: ok 8185 # ring membership passed 274: ok 8186 # correct SSSR count 274: ok 8187 # ring membership passed 274: ok 8188 # correct SSSR count 274: ok 8189 # ring membership passed 274: ok 8190 # correct SSSR count 274: ok 8191 # ring membership passed 274: ok 8192 # correct SSSR count 274: ok 8193 # ring membership passed 274: ok 8194 # correct ring bond data 274: ok 8195 # correct ring bond data 274: ok 8196 # correct ring bond data 274: ok 8197 # correct ring bond data 274: ok 8198 # correct ring bond data 274: ok 8199 # correct ring bond data 274: ok 8200 # correct ring bond data 274: ok 8201 # correct ring bond data 274: ok 8202 # correct ring bond data 274: ok 8203 # correct ring bond data 274: ok 8204 # correct ring bond data 274: ok 8205 # correct ring bond data 274: ok 8206 # correct ring bond data 274: ok 8207 # correct ring bond data 274: ok 8208 # correct ring bond data 274: ok 8209 # correct ring bond data 274: ok 8210 # correct ring bond data 274: ok 8211 # correct ring bond data 274: ok 8212 # correct ring bond data 274: ok 8213 # correct ring bond data 274: ok 8214 # correct ring bond data 274: ok 8215 # correct ring bond data 274: ok 8216 # correct ring bond data 274: ok 8217 # correct ring bond data 274: ok 8218 # correct ring bond data 274: ok 8219 # SSSR size matches reference 274: ok 8220 # correct SSSR count 274: ok 8221 # ring membership passed 274: ok 8222 # correct SSSR count 274: ok 8223 # ring membership passed 274: ok 8224 # correct SSSR count 274: ok 8225 # ring membership passed 274: ok 8226 # correct SSSR count 274: ok 8227 # ring membership passed 274: ok 8228 # correct SSSR count 274: ok 8229 # ring membership passed 274: ok 8230 # correct SSSR count 274: ok 8231 # ring membership passed 274: ok 8232 # correct SSSR count 274: ok 8233 # ring membership passed 274: ok 8234 # correct SSSR count 274: ok 8235 # ring membership passed 274: ok 8236 # correct SSSR count 274: ok 8237 # ring membership passed 274: ok 8238 # correct SSSR count 274: ok 8239 # ring membership passed 274: ok 8240 # correct SSSR count 274: ok 8241 # ring membership passed 274: ok 8242 # correct SSSR count 274: ok 8243 # ring membership passed 274: ok 8244 # correct SSSR count 274: ok 8245 # ring membership passed 274: ok 8246 # correct SSSR count 274: ok 8247 # ring membership passed 274: ok 8248 # correct SSSR count 274: ok 8249 # ring membership passed 274: ok 8250 # correct SSSR count 274: ok 8251 # ring membership passed 274: ok 8252 # correct SSSR count 274: ok 8253 # ring membership passed 274: ok 8254 # correct SSSR count 274: ok 8255 # ring membership passed 274: ok 8256 # correct SSSR count 274: ok 8257 # ring membership passed 274: ok 8258 # correct SSSR count 274: ok 8259 # ring membership passed 274: ok 8260 # correct SSSR count 274: ok 8261 # ring membership passed 274: ok 8262 # correct SSSR count 274: ok 8263 # ring membership passed 274: ok 8264 # correct SSSR count 274: ok 8265 # ring membership passed 274: ok 8266 # correct SSSR count 274: ok 8267 # ring membership passed 274: ok 8268 # correct ring bond data 274: ok 8269 # correct ring bond data 274: ok 8270 # correct ring bond data 274: ok 8271 # correct ring bond data 274: ok 8272 # correct ring bond data 274: ok 8273 # correct ring bond data 274: ok 8274 # correct ring bond data 274: ok 8275 # correct ring bond data 274: ok 8276 # correct ring bond data 274: ok 8277 # correct ring bond data 274: ok 8278 # correct ring bond data 274: ok 8279 # correct ring bond data 274: ok 8280 # correct ring bond data 274: ok 8281 # correct ring bond data 274: ok 8282 # correct ring bond data 274: ok 8283 # correct ring bond data 274: ok 8284 # correct ring bond data 274: ok 8285 # correct ring bond data 274: ok 8286 # correct ring bond data 274: ok 8287 # correct ring bond data 274: ok 8288 # correct ring bond data 274: ok 8289 # correct ring bond data 274: ok 8290 # correct ring bond data 274: ok 8291 # correct ring bond data 274: ok 8292 # correct ring bond data 274: ok 8293 # correct ring bond data 274: ok 8294 # SSSR size matches reference 274: ok 8295 # correct SSSR count 274: ok 8296 # ring membership passed 274: ok 8297 # correct SSSR count 274: ok 8298 # ring membership passed 274: ok 8299 # correct SSSR count 274: ok 8300 # ring membership passed 274: ok 8301 # correct SSSR count 274: ok 8302 # ring membership passed 274: ok 8303 # correct SSSR count 274: ok 8304 # ring membership passed 274: ok 8305 # correct SSSR count 274: ok 8306 # ring membership passed 274: ok 8307 # correct SSSR count 274: ok 8308 # ring membership passed 274: ok 8309 # correct SSSR count 274: ok 8310 # ring membership passed 274: ok 8311 # correct SSSR count 274: ok 8312 # ring membership passed 274: ok 8313 # correct SSSR count 274: ok 8314 # ring membership passed 274: ok 8315 # correct SSSR count 274: ok 8316 # ring membership passed 274: ok 8317 # correct SSSR count 274: ok 8318 # ring membership passed 274: ok 8319 # correct SSSR count 274: ok 8320 # ring membership passed 274: ok 8321 # correct SSSR count 274: ok 8322 # ring membership passed 274: ok 8323 # correct SSSR count 274: ok 8324 # ring membership passed 274: ok 8325 # correct SSSR count 274: ok 8326 # ring membership passed 274: ok 8327 # correct SSSR count 274: ok 8328 # ring membership passed 274: ok 8329 # correct SSSR count 274: ok 8330 # ring membership passed 274: ok 8331 # correct SSSR count 274: ok 8332 # ring membership passed 274: ok 8333 # correct SSSR count 274: ok 8334 # ring membership passed 274: ok 8335 # correct SSSR count 274: ok 8336 # ring membership passed 274: ok 8337 # correct SSSR count 274: ok 8338 # ring membership passed 274: ok 8339 # correct SSSR count 274: ok 8340 # ring membership passed 274: ok 8341 # correct SSSR count 274: ok 8342 # ring membership passed 274: ok 8343 # correct SSSR count 274: ok 8344 # ring membership passed 274: ok 8345 # correct ring bond data 274: ok 8346 # correct ring bond data 274: ok 8347 # correct ring bond data 274: ok 8348 # correct ring bond data 274: ok 8349 # correct ring bond data 274: ok 8350 # correct ring bond data 274: ok 8351 # correct ring bond data 274: ok 8352 # correct ring bond data 274: ok 8353 # correct ring bond data 274: ok 8354 # correct ring bond data 274: ok 8355 # correct ring bond data 274: ok 8356 # correct ring bond data 274: ok 8357 # correct ring bond data 274: ok 8358 # correct ring bond data 274: ok 8359 # correct ring bond data 274: ok 8360 # correct ring bond data 274: ok 8361 # correct ring bond data 274: ok 8362 # correct ring bond data 274: ok 8363 # correct ring bond data 274: ok 8364 # correct ring bond data 274: ok 8365 # correct ring bond data 274: ok 8366 # correct ring bond data 274: ok 8367 # correct ring bond data 274: ok 8368 # correct ring bond data 274: ok 8369 # SSSR size matches reference 274: ok 8370 # correct SSSR count 274: ok 8371 # ring membership passed 274: ok 8372 # correct SSSR count 274: ok 8373 # ring membership passed 274: ok 8374 # correct SSSR count 274: ok 8375 # ring membership passed 274: ok 8376 # correct SSSR count 274: ok 8377 # ring membership passed 274: ok 8378 # correct SSSR count 274: ok 8379 # ring membership passed 274: ok 8380 # correct SSSR count 274: ok 8381 # ring membership passed 274: ok 8382 # correct SSSR count 274: ok 8383 # ring membership passed 274: ok 8384 # correct SSSR count 274: ok 8385 # ring membership passed 274: ok 8386 # correct SSSR count 274: ok 8387 # ring membership passed 274: ok 8388 # correct SSSR count 274: ok 8389 # ring membership passed 274: ok 8390 # correct SSSR count 274: ok 8391 # ring membership passed 274: ok 8392 # correct SSSR count 274: ok 8393 # ring membership passed 274: ok 8394 # correct SSSR count 274: ok 8395 # ring membership passed 274: ok 8396 # correct SSSR count 274: ok 8397 # ring membership passed 274: ok 8398 # correct SSSR count 274: ok 8399 # ring membership passed 274: ok 8400 # correct SSSR count 274: ok 8401 # ring membership passed 274: ok 8402 # correct SSSR count 274: ok 8403 # ring membership passed 274: ok 8404 # correct SSSR count 274: ok 8405 # ring membership passed 274: ok 8406 # correct SSSR count 274: ok 8407 # ring membership passed 274: ok 8408 # correct SSSR count 274: ok 8409 # ring membership passed 274: ok 8410 # correct SSSR count 274: ok 8411 # ring membership passed 274: ok 8412 # correct SSSR count 274: ok 8413 # ring membership passed 274: ok 8414 # correct SSSR count 274: ok 8415 # ring membership passed 274: ok 8416 # correct ring bond data 274: ok 8417 # correct ring bond data 274: ok 8418 # correct ring bond data 274: ok 8419 # correct ring bond data 274: ok 8420 # correct ring bond data 274: ok 8421 # correct ring bond data 274: ok 8422 # correct ring bond data 274: ok 8423 # correct ring bond data 274: ok 8424 # correct ring bond data 274: ok 8425 # correct ring bond data 274: ok 8426 # correct ring bond data 274: ok 8427 # correct ring bond data 274: ok 8428 # correct ring bond data 274: ok 8429 # correct ring bond data 274: ok 8430 # correct ring bond data 274: ok 8431 # correct ring bond data 274: ok 8432 # correct ring bond data 274: ok 8433 # correct ring bond data 274: ok 8434 # correct ring bond data 274: ok 8435 # SSSR size matches reference 274: ok 8436 # correct SSSR count 274: ok 8437 # ring membership passed 274: ok 8438 # correct SSSR count 274: ok 8439 # ring membership passed 274: ok 8440 # correct SSSR count 274: ok 8441 # ring membership passed 274: ok 8442 # correct SSSR count 274: ok 8443 # ring membership passed 274: ok 8444 # correct SSSR count 274: ok 8445 # ring membership passed 274: ok 8446 # correct SSSR count 274: ok 8447 # ring membership passed 274: ok 8448 # correct SSSR count 274: ok 8449 # ring membership passed 274: ok 8450 # correct SSSR count 274: ok 8451 # ring membership passed 274: ok 8452 # correct SSSR count 274: ok 8453 # ring membership passed 274: ok 8454 # correct SSSR count 274: ok 8455 # ring membership passed 274: ok 8456 # correct SSSR count 274: ok 8457 # ring membership passed 274: ok 8458 # correct SSSR count 274: ok 8459 # ring membership passed 274: ok 8460 # correct SSSR count 274: ok 8461 # ring membership passed 274: ok 8462 # correct SSSR count 274: ok 8463 # ring membership passed 274: ok 8464 # correct SSSR count 274: ok 8465 # ring membership passed 274: ok 8466 # correct SSSR count 274: ok 8467 # ring membership passed 274: ok 8468 # correct SSSR count 274: ok 8469 # ring membership passed 274: ok 8470 # correct SSSR count 274: ok 8471 # ring membership passed 274: ok 8472 # correct ring bond data 274: ok 8473 # correct ring bond data 274: ok 8474 # correct ring bond data 274: ok 8475 # correct ring bond data 274: ok 8476 # correct ring bond data 274: ok 8477 # correct ring bond data 274: ok 8478 # correct ring bond data 274: ok 8479 # correct ring bond data 274: ok 8480 # correct ring bond data 274: ok 8481 # correct ring bond data 274: ok 8482 # correct ring bond data 274: ok 8483 # correct ring bond data 274: ok 8484 # correct ring bond data 274: ok 8485 # correct ring bond data 274: ok 8486 # correct ring bond data 274: ok 8487 # correct ring bond data 274: ok 8488 # correct ring bond data 274: ok 8489 # correct ring bond data 274: ok 8490 # correct ring bond data 274: ok 8491 # SSSR size matches reference 274: ok 8492 # correct SSSR count 274: ok 8493 # ring membership passed 274: ok 8494 # correct SSSR count 274: ok 8495 # ring membership passed 274: ok 8496 # correct SSSR count 274: ok 8497 # ring membership passed 274: ok 8498 # correct SSSR count 274: ok 8499 # ring membership passed 274: ok 8500 # correct SSSR count 274: ok 8501 # ring membership passed 274: ok 8502 # correct SSSR count 274: ok 8503 # ring membership passed 274: ok 8504 # correct SSSR count 274: ok 8505 # ring membership passed 274: ok 8506 # correct SSSR count 274: ok 8507 # ring membership passed 274: ok 8508 # correct SSSR count 274: ok 8509 # ring membership passed 274: ok 8510 # correct SSSR count 274: ok 8511 # ring membership passed 274: ok 8512 # correct SSSR count 274: ok 8513 # ring membership passed 274: ok 8514 # correct SSSR count 274: ok 8515 # ring membership passed 274: ok 8516 # correct SSSR count 274: ok 8517 # ring membership passed 274: ok 8518 # correct SSSR count 274: ok 8519 # ring membership passed 274: ok 8520 # correct SSSR count 274: ok 8521 # ring membership passed 274: ok 8522 # correct SSSR count 274: ok 8523 # ring membership passed 274: ok 8524 # correct SSSR count 274: ok 8525 # ring membership passed 274: ok 8526 # correct SSSR count 274: ok 8527 # ring membership passed 274: ok 8528 # correct ring bond data 274: ok 8529 # correct ring bond data 274: ok 8530 # correct ring bond data 274: ok 8531 # correct ring bond data 274: ok 8532 # correct ring bond data 274: ok 8533 # correct ring bond data 274: ok 8534 # correct ring bond data 274: ok 8535 # correct ring bond data 274: ok 8536 # correct ring bond data 274: ok 8537 # correct ring bond data 274: ok 8538 # correct ring bond data 274: ok 8539 # correct ring bond data 274: ok 8540 # correct ring bond data 274: ok 8541 # correct ring bond data 274: ok 8542 # correct ring bond data 274: ok 8543 # correct ring bond data 274: ok 8544 # correct ring bond data 274: ok 8545 # correct ring bond data 274: ok 8546 # correct ring bond data 274: ok 8547 # correct ring bond data 274: ok 8548 # correct ring bond data 274: ok 8549 # SSSR size matches reference 274: ok 8550 # correct SSSR count 274: ok 8551 # ring membership passed 274: ok 8552 # correct SSSR count 274: ok 8553 # ring membership passed 274: ok 8554 # correct SSSR count 274: ok 8555 # ring membership passed 274: ok 8556 # correct SSSR count 274: ok 8557 # ring membership passed 274: ok 8558 # correct SSSR count 274: ok 8559 # ring membership passed 274: ok 8560 # correct SSSR count 274: ok 8561 # ring membership passed 274: ok 8562 # correct SSSR count 274: ok 8563 # ring membership passed 274: ok 8564 # correct SSSR count 274: ok 8565 # ring membership passed 274: ok 8566 # correct SSSR count 274: ok 8567 # ring membership passed 274: ok 8568 # correct SSSR count 274: ok 8569 # ring membership passed 274: ok 8570 # correct SSSR count 274: ok 8571 # ring membership passed 274: ok 8572 # correct SSSR count 274: ok 8573 # ring membership passed 274: ok 8574 # correct SSSR count 274: ok 8575 # ring membership passed 274: ok 8576 # correct SSSR count 274: ok 8577 # ring membership passed 274: ok 8578 # correct SSSR count 274: ok 8579 # ring membership passed 274: ok 8580 # correct SSSR count 274: ok 8581 # ring membership passed 274: ok 8582 # correct SSSR count 274: ok 8583 # ring membership passed 274: ok 8584 # correct SSSR count 274: ok 8585 # ring membership passed 274: ok 8586 # correct SSSR count 274: ok 8587 # ring membership passed 274: ok 8588 # correct SSSR count 274: ok 8589 # ring membership passed 274: ok 8590 # correct ring bond data 274: ok 8591 # correct ring bond data 274: ok 8592 # correct ring bond data 274: ok 8593 # correct ring bond data 274: ok 8594 # correct ring bond data 274: ok 8595 # correct ring bond data 274: ok 8596 # correct ring bond data 274: ok 8597 # correct ring bond data 274: ok 8598 # correct ring bond data 274: ok 8599 # correct ring bond data 274: ok 8600 # correct ring bond data 274: ok 8601 # correct ring bond data 274: ok 8602 # correct ring bond data 274: ok 8603 # SSSR size matches reference 274: ok 8604 # correct SSSR count 274: ok 8605 # ring membership passed 274: ok 8606 # correct SSSR count 274: ok 8607 # ring membership passed 274: ok 8608 # correct SSSR count 274: ok 8609 # ring membership passed 274: ok 8610 # correct SSSR count 274: ok 8611 # ring membership passed 274: ok 8612 # correct SSSR count 274: ok 8613 # ring membership passed 274: ok 8614 # correct SSSR count 274: ok 8615 # ring membership passed 274: ok 8616 # correct SSSR count 274: ok 8617 # ring membership passed 274: ok 8618 # correct SSSR count 274: ok 8619 # ring membership passed 274: ok 8620 # correct SSSR count 274: ok 8621 # ring membership passed 274: ok 8622 # correct SSSR count 274: ok 8623 # ring membership passed 274: ok 8624 # correct SSSR count 274: ok 8625 # ring membership passed 274: ok 8626 # correct SSSR count 274: ok 8627 # ring membership passed 274: ok 8628 # correct SSSR count 274: ok 8629 # ring membership passed 274: ok 8630 # correct ring bond data 274: ok 8631 # correct ring bond data 274: ok 8632 # correct ring bond data 274: ok 8633 # correct ring bond data 274: ok 8634 # correct ring bond data 274: ok 8635 # correct ring bond data 274: ok 8636 # correct ring bond data 274: ok 8637 # correct ring bond data 274: ok 8638 # correct ring bond data 274: ok 8639 # correct ring bond data 274: ok 8640 # correct ring bond data 274: ok 8641 # correct ring bond data 274: ok 8642 # correct ring bond data 274: ok 8643 # correct ring bond data 274: ok 8644 # correct ring bond data 274: ok 8645 # correct ring bond data 274: ok 8646 # correct ring bond data 274: ok 8647 # correct ring bond data 274: ok 8648 # correct ring bond data 274: ok 8649 # SSSR size matches reference 274: ok 8650 # correct SSSR count 274: ok 8651 # ring membership passed 274: ok 8652 # correct SSSR count 274: ok 8653 # ring membership passed 274: ok 8654 # correct SSSR count 274: ok 8655 # ring membership passed 274: ok 8656 # correct SSSR count 274: ok 8657 # ring membership passed 274: ok 8658 # correct SSSR count 274: ok 8659 # ring membership passed 274: ok 8660 # correct SSSR count 274: ok 8661 # ring membership passed 274: ok 8662 # correct SSSR count 274: ok 8663 # ring membership passed 274: ok 8664 # correct SSSR count 274: ok 8665 # ring membership passed 274: ok 8666 # correct SSSR count 274: ok 8667 # ring membership passed 274: ok 8668 # correct SSSR count 274: ok 8669 # ring membership passed 274: ok 8670 # correct SSSR count 274: ok 8671 # ring membership passed 274: ok 8672 # correct SSSR count 274: ok 8673 # ring membership passed 274: ok 8674 # correct SSSR count 274: ok 8675 # ring membership passed 274: ok 8676 # correct SSSR count 274: ok 8677 # ring membership passed 274: ok 8678 # correct SSSR count 274: ok 8679 # ring membership passed 274: ok 8680 # correct SSSR count 274: ok 8681 # ring membership passed 274: ok 8682 # correct SSSR count 274: ok 8683 # ring membership passed 274: ok 8684 # correct SSSR count 274: ok 8685 # ring membership passed 274: ok 8686 # correct ring bond data 274: ok 8687 # correct ring bond data 274: ok 8688 # correct ring bond data 274: ok 8689 # correct ring bond data 274: ok 8690 # correct ring bond data 274: ok 8691 # correct ring bond data 274: ok 8692 # correct ring bond data 274: ok 8693 # correct ring bond data 274: ok 8694 # correct ring bond data 274: ok 8695 # correct ring bond data 274: ok 8696 # correct ring bond data 274: ok 8697 # correct ring bond data 274: ok 8698 # correct ring bond data 274: ok 8699 # correct ring bond data 274: ok 8700 # correct ring bond data 274: ok 8701 # correct ring bond data 274: ok 8702 # SSSR size matches reference 274: ok 8703 # correct SSSR count 274: ok 8704 # ring membership passed 274: ok 8705 # correct SSSR count 274: ok 8706 # ring membership passed 274: ok 8707 # correct SSSR count 274: ok 8708 # ring membership passed 274: ok 8709 # correct SSSR count 274: ok 8710 # ring membership passed 274: ok 8711 # correct SSSR count 274: ok 8712 # ring membership passed 274: ok 8713 # correct SSSR count 274: ok 8714 # ring membership passed 274: ok 8715 # correct SSSR count 274: ok 8716 # ring membership passed 274: ok 8717 # correct SSSR count 274: ok 8718 # ring membership passed 274: ok 8719 # correct SSSR count 274: ok 8720 # ring membership passed 274: ok 8721 # correct SSSR count 274: ok 8722 # ring membership passed 274: ok 8723 # correct SSSR count 274: ok 8724 # ring membership passed 274: ok 8725 # correct SSSR count 274: ok 8726 # ring membership passed 274: ok 8727 # correct SSSR count 274: ok 8728 # ring membership passed 274: ok 8729 # correct SSSR count 274: ok 8730 # ring membership passed 274: ok 8731 # correct SSSR count 274: ok 8732 # ring membership passed 274: ok 8733 # correct ring bond data 274: ok 8734 # correct ring bond data 274: ok 8735 # correct ring bond data 274: ok 8736 # correct ring bond data 274: ok 8737 # correct ring bond data 274: ok 8738 # correct ring bond data 274: ok 8739 # correct ring bond data 274: ok 8740 # correct ring bond data 274: ok 8741 # correct ring bond data 274: ok 8742 # correct ring bond data 274: ok 8743 # correct ring bond data 274: ok 8744 # correct ring bond data 274: ok 8745 # correct ring bond data 274: ok 8746 # correct ring bond data 274: ok 8747 # correct ring bond data 274: ok 8748 # correct ring bond data 274: ok 8749 # correct ring bond data 274: ok 8750 # correct ring bond data 274: ok 8751 # correct ring bond data 274: ok 8752 # SSSR size matches reference 274: ok 8753 # correct SSSR count 274: ok 8754 # ring membership passed 274: ok 8755 # correct SSSR count 274: ok 8756 # ring membership passed 274: ok 8757 # correct SSSR count 274: ok 8758 # ring membership passed 274: ok 8759 # correct SSSR count 274: ok 8760 # ring membership passed 274: ok 8761 # correct SSSR count 274: ok 8762 # ring membership passed 274: ok 8763 # correct SSSR count 274: ok 8764 # ring membership passed 274: ok 8765 # correct SSSR count 274: ok 8766 # ring membership passed 274: ok 8767 # correct SSSR count 274: ok 8768 # ring membership passed 274: ok 8769 # correct SSSR count 274: ok 8770 # ring membership passed 274: ok 8771 # correct SSSR count 274: ok 8772 # ring membership passed 274: ok 8773 # correct SSSR count 274: ok 8774 # ring membership passed 274: ok 8775 # correct SSSR count 274: ok 8776 # ring membership passed 274: ok 8777 # correct SSSR count 274: ok 8778 # ring membership passed 274: ok 8779 # correct SSSR count 274: ok 8780 # ring membership passed 274: ok 8781 # correct SSSR count 274: ok 8782 # ring membership passed 274: ok 8783 # correct SSSR count 274: ok 8784 # ring membership passed 274: ok 8785 # correct SSSR count 274: ok 8786 # ring membership passed 274: ok 8787 # correct SSSR count 274: ok 8788 # ring membership passed 274: ok 8789 # correct ring bond data 274: ok 8790 # correct ring bond data 274: ok 8791 # correct ring bond data 274: ok 8792 # correct ring bond data 274: ok 8793 # correct ring bond data 274: ok 8794 # correct ring bond data 274: ok 8795 # correct ring bond data 274: ok 8796 # correct ring bond data 274: ok 8797 # correct ring bond data 274: ok 8798 # correct ring bond data 274: ok 8799 # correct ring bond data 274: ok 8800 # correct ring bond data 274: ok 8801 # correct ring bond data 274: ok 8802 # correct ring bond data 274: ok 8803 # correct ring bond data 274: ok 8804 # correct ring bond data 274: ok 8805 # correct ring bond data 274: ok 8806 # correct ring bond data 274: ok 8807 # correct ring bond data 274: ok 8808 # correct ring bond data 274: ok 8809 # correct ring bond data 274: ok 8810 # correct ring bond data 274: ok 8811 # correct ring bond data 274: ok 8812 # correct ring bond data 274: ok 8813 # correct ring bond data 274: ok 8814 # correct ring bond data 274: ok 8815 # SSSR size matches reference 274: ok 8816 # correct SSSR count 274: ok 8817 # ring membership passed 274: ok 8818 # correct SSSR count 274: ok 8819 # ring membership passed 274: ok 8820 # correct SSSR count 274: ok 8821 # ring membership passed 274: ok 8822 # correct SSSR count 274: ok 8823 # ring membership passed 274: ok 8824 # correct SSSR count 274: ok 8825 # ring membership passed 274: ok 8826 # correct SSSR count 274: ok 8827 # ring membership passed 274: ok 8828 # correct SSSR count 274: ok 8829 # ring membership passed 274: ok 8830 # correct SSSR count 274: ok 8831 # ring membership passed 274: ok 8832 # correct SSSR count 274: ok 8833 # ring membership passed 274: ok 8834 # correct SSSR count 274: ok 8835 # ring membership passed 274: ok 8836 # correct SSSR count 274: ok 8837 # ring membership passed 274: ok 8838 # correct SSSR count 274: ok 8839 # ring membership passed 274: ok 8840 # correct SSSR count 274: ok 8841 # ring membership passed 274: ok 8842 # correct SSSR count 274: ok 8843 # ring membership passed 274: ok 8844 # correct SSSR count 274: ok 8845 # ring membership passed 274: ok 8846 # correct SSSR count 274: ok 8847 # ring membership passed 274: ok 8848 # correct SSSR count 274: ok 8849 # ring membership passed 274: ok 8850 # correct SSSR count 274: ok 8851 # ring membership passed 274: ok 8852 # correct SSSR count 274: ok 8853 # ring membership passed 274: ok 8854 # correct SSSR count 274: ok 8855 # ring membership passed 274: ok 8856 # correct SSSR count 274: ok 8857 # ring membership passed 274: ok 8858 # correct SSSR count 274: ok 8859 # ring membership passed 274: ok 8860 # correct SSSR count 274: ok 8861 # ring membership passed 274: ok 8862 # correct SSSR count 274: ok 8863 # ring membership passed 274: ok 8864 # correct ring bond data 274: ok 8865 # correct ring bond data 274: ok 8866 # correct ring bond data 274: ok 8867 # correct ring bond data 274: ok 8868 # correct ring bond data 274: ok 8869 # correct ring bond data 274: ok 8870 # correct ring bond data 274: ok 8871 # correct ring bond data 274: ok 8872 # correct ring bond data 274: ok 8873 # correct ring bond data 274: ok 8874 # correct ring bond data 274: ok 8875 # correct ring bond data 274: ok 8876 # correct ring bond data 274: ok 8877 # correct ring bond data 274: ok 8878 # correct ring bond data 274: ok 8879 # correct ring bond data 274: ok 8880 # correct ring bond data 274: ok 8881 # correct ring bond data 274: ok 8882 # correct ring bond data 274: ok 8883 # correct ring bond data 274: ok 8884 # correct ring bond data 274: ok 8885 # correct ring bond data 274: ok 8886 # correct ring bond data 274: ok 8887 # correct ring bond data 274: ok 8888 # correct ring bond data 274: ok 8889 # correct ring bond data 274: ok 8890 # correct ring bond data 274: ok 8891 # correct ring bond data 274: ok 8892 # correct ring bond data 274: ok 8893 # correct ring bond data 274: ok 8894 # correct ring bond data 274: ok 8895 # correct ring bond data 274: ok 8896 # correct ring bond data 274: ok 8897 # correct ring bond data 274: ok 8898 # SSSR size matches reference 274: ok 8899 # correct SSSR count 274: ok 8900 # ring membership passed 274: ok 8901 # correct SSSR count 274: ok 8902 # ring membership passed 274: ok 8903 # correct SSSR count 274: ok 8904 # ring membership passed 274: ok 8905 # correct SSSR count 274: ok 8906 # ring membership passed 274: ok 8907 # correct SSSR count 274: ok 8908 # ring membership passed 274: ok 8909 # correct SSSR count 274: ok 8910 # ring membership passed 274: ok 8911 # correct SSSR count 274: ok 8912 # ring membership passed 274: ok 8913 # correct SSSR count 274: ok 8914 # ring membership passed 274: ok 8915 # correct SSSR count 274: ok 8916 # ring membership passed 274: ok 8917 # correct SSSR count 274: ok 8918 # ring membership passed 274: ok 8919 # correct SSSR count 274: ok 8920 # ring membership passed 274: ok 8921 # correct SSSR count 274: ok 8922 # ring membership passed 274: ok 8923 # correct SSSR count 274: ok 8924 # ring membership passed 274: ok 8925 # correct SSSR count 274: ok 8926 # ring membership passed 274: ok 8927 # correct SSSR count 274: ok 8928 # ring membership passed 274: ok 8929 # correct SSSR count 274: ok 8930 # ring membership passed 274: ok 8931 # correct SSSR count 274: ok 8932 # ring membership passed 274: ok 8933 # correct SSSR count 274: ok 8934 # ring membership passed 274: ok 8935 # correct SSSR count 274: ok 8936 # ring membership passed 274: ok 8937 # correct SSSR count 274: ok 8938 # ring membership passed 274: ok 8939 # correct SSSR count 274: ok 8940 # ring membership passed 274: ok 8941 # correct SSSR count 274: ok 8942 # ring membership passed 274: ok 8943 # correct SSSR count 274: ok 8944 # ring membership passed 274: ok 8945 # correct SSSR count 274: ok 8946 # ring membership passed 274: ok 8947 # correct SSSR count 274: ok 8948 # ring membership passed 274: ok 8949 # correct SSSR count 274: ok 8950 # ring membership passed 274: ok 8951 # correct SSSR count 274: ok 8952 # ring membership passed 274: ok 8953 # correct SSSR count 274: ok 8954 # ring membership passed 274: ok 8955 # correct SSSR count 274: ok 8956 # ring membership passed 274: ok 8957 # correct SSSR count 274: ok 8958 # ring membership passed 274: ok 8959 # correct SSSR count 274: ok 8960 # ring membership passed 274: ok 8961 # correct SSSR count 274: ok 8962 # ring membership passed 274: ok 8963 # correct ring bond data 274: ok 8964 # correct ring bond data 274: ok 8965 # correct ring bond data 274: ok 8966 # correct ring bond data 274: ok 8967 # correct ring bond data 274: ok 8968 # correct ring bond data 274: ok 8969 # correct ring bond data 274: ok 8970 # correct ring bond data 274: ok 8971 # correct ring bond data 274: ok 8972 # correct ring bond data 274: ok 8973 # correct ring bond data 274: ok 8974 # correct ring bond data 274: ok 8975 # correct ring bond data 274: ok 8976 # correct ring bond data 274: ok 8977 # correct ring bond data 274: ok 8978 # correct ring bond data 274: ok 8979 # correct ring bond data 274: ok 8980 # correct ring bond data 274: ok 8981 # correct ring bond data 274: ok 8982 # correct ring bond data 274: ok 8983 # correct ring bond data 274: ok 8984 # correct ring bond data 274: ok 8985 # correct ring bond data 274: ok 8986 # correct ring bond data 274: ok 8987 # correct ring bond data 274: ok 8988 # correct ring bond data 274: ok 8989 # correct ring bond data 274: ok 8990 # correct ring bond data 274: ok 8991 # correct ring bond data 274: ok 8992 # correct ring bond data 274: ok 8993 # correct ring bond data 274: ok 8994 # SSSR size matches reference 274: ok 8995 # correct SSSR count 274: ok 8996 # ring membership passed 274: ok 8997 # correct SSSR count 274: ok 8998 # ring membership passed 274: ok 8999 # correct SSSR count 274: ok 9000 # ring membership passed 274: ok 9001 # correct SSSR count 274: ok 9002 # ring membership passed 274: ok 9003 # correct SSSR count 274: ok 9004 # ring membership passed 274: ok 9005 # correct SSSR count 274: ok 9006 # ring membership passed 274: ok 9007 # correct SSSR count 274: ok 9008 # ring membership passed 274: ok 9009 # correct SSSR count 274: ok 9010 # ring membership passed 274: ok 9011 # correct SSSR count 274: ok 9012 # ring membership passed 274: ok 9013 # correct SSSR count 274: ok 9014 # ring membership passed 274: ok 9015 # correct SSSR count 274: ok 9016 # ring membership passed 274: ok 9017 # correct SSSR count 274: ok 9018 # ring membership passed 274: ok 9019 # correct SSSR count 274: ok 9020 # ring membership passed 274: ok 9021 # correct SSSR count 274: ok 9022 # ring membership passed 274: ok 9023 # correct SSSR count 274: ok 9024 # ring membership passed 274: ok 9025 # correct SSSR count 274: ok 9026 # ring membership passed 274: ok 9027 # correct SSSR count 274: ok 9028 # ring membership passed 274: ok 9029 # correct SSSR count 274: ok 9030 # ring membership passed 274: ok 9031 # correct SSSR count 274: ok 9032 # ring membership passed 274: ok 9033 # correct SSSR count 274: ok 9034 # ring membership passed 274: ok 9035 # correct SSSR count 274: ok 9036 # ring membership passed 274: ok 9037 # correct SSSR count 274: ok 9038 # ring membership passed 274: ok 9039 # correct SSSR count 274: ok 9040 # ring membership passed 274: ok 9041 # correct SSSR count 274: ok 9042 # ring membership passed 274: ok 9043 # correct SSSR count 274: ok 9044 # ring membership passed 274: ok 9045 # correct SSSR count 274: ok 9046 # ring membership passed 274: ok 9047 # correct SSSR count 274: ok 9048 # ring membership passed 274: ok 9049 # correct SSSR count 274: ok 9050 # ring membership passed 274: ok 9051 # correct SSSR count 274: ok 9052 # ring membership passed 274: ok 9053 # correct ring bond data 274: ok 9054 # correct ring bond data 274: ok 9055 # correct ring bond data 274: ok 9056 # correct ring bond data 274: ok 9057 # correct ring bond data 274: ok 9058 # correct ring bond data 274: ok 9059 # correct ring bond data 274: ok 9060 # correct ring bond data 274: ok 9061 # correct ring bond data 274: ok 9062 # SSSR size matches reference 274: ok 9063 # correct SSSR count 274: ok 9064 # ring membership passed 274: ok 9065 # correct SSSR count 274: ok 9066 # ring membership passed 274: ok 9067 # correct SSSR count 274: ok 9068 # ring membership passed 274: ok 9069 # correct SSSR count 274: ok 9070 # ring membership passed 274: ok 9071 # correct SSSR count 274: ok 9072 # ring membership passed 274: ok 9073 # correct SSSR count 274: ok 9074 # ring membership passed 274: ok 9075 # correct SSSR count 274: ok 9076 # ring membership passed 274: ok 9077 # correct SSSR count 274: ok 9078 # ring membership passed 274: ok 9079 # correct SSSR count 274: ok 9080 # ring membership passed 274: ok 9081 # correct ring bond data 274: ok 9082 # correct ring bond data 274: ok 9083 # correct ring bond data 274: ok 9084 # correct ring bond data 274: ok 9085 # correct ring bond data 274: ok 9086 # correct ring bond data 274: ok 9087 # correct ring bond data 274: ok 9088 # correct ring bond data 274: ok 9089 # correct ring bond data 274: ok 9090 # correct ring bond data 274: ok 9091 # correct ring bond data 274: ok 9092 # correct ring bond data 274: ok 9093 # correct ring bond data 274: ok 9094 # correct ring bond data 274: ok 9095 # correct ring bond data 274: ok 9096 # correct ring bond data 274: ok 9097 # correct ring bond data 274: ok 9098 # correct ring bond data 274: ok 9099 # SSSR size matches reference 274: ok 9100 # correct SSSR count 274: ok 9101 # ring membership passed 274: ok 9102 # correct SSSR count 274: ok 9103 # ring membership passed 274: ok 9104 # correct SSSR count 274: ok 9105 # ring membership passed 274: ok 9106 # correct SSSR count 274: ok 9107 # ring membership passed 274: ok 9108 # correct SSSR count 274: ok 9109 # ring membership passed 274: ok 9110 # correct SSSR count 274: ok 9111 # ring membership passed 274: ok 9112 # correct SSSR count 274: ok 9113 # ring membership passed 274: ok 9114 # correct SSSR count 274: ok 9115 # ring membership passed 274: ok 9116 # correct SSSR count 274: ok 9117 # ring membership passed 274: ok 9118 # correct SSSR count 274: ok 9119 # ring membership passed 274: ok 9120 # correct SSSR count 274: ok 9121 # ring membership passed 274: ok 9122 # correct SSSR count 274: ok 9123 # ring membership passed 274: ok 9124 # correct SSSR count 274: ok 9125 # ring membership passed 274: ok 9126 # correct SSSR count 274: ok 9127 # ring membership passed 274: ok 9128 # correct SSSR count 274: ok 9129 # ring membership passed 274: ok 9130 # correct SSSR count 274: ok 9131 # ring membership passed 274: ok 9132 # correct SSSR count 274: ok 9133 # ring membership passed 274: ok 9134 # correct ring bond data 274: ok 9135 # correct ring bond data 274: ok 9136 # correct ring bond data 274: ok 9137 # correct ring bond data 274: ok 9138 # correct ring bond data 274: ok 9139 # correct ring bond data 274: ok 9140 # correct ring bond data 274: ok 9141 # correct ring bond data 274: ok 9142 # correct ring bond data 274: ok 9143 # correct ring bond data 274: ok 9144 # correct ring bond data 274: ok 9145 # correct ring bond data 274: ok 9146 # correct ring bond data 274: ok 9147 # correct ring bond data 274: ok 9148 # SSSR size matches reference 274: ok 9149 # correct SSSR count 274: ok 9150 # ring membership passed 274: ok 9151 # correct SSSR count 274: ok 9152 # ring membership passed 274: ok 9153 # correct SSSR count 274: ok 9154 # ring membership passed 274: ok 9155 # correct SSSR count 274: ok 9156 # ring membership passed 274: ok 9157 # correct SSSR count 274: ok 9158 # ring membership passed 274: ok 9159 # correct SSSR count 274: ok 9160 # ring membership passed 274: ok 9161 # correct SSSR count 274: ok 9162 # ring membership passed 274: ok 9163 # correct SSSR count 274: ok 9164 # ring membership passed 274: ok 9165 # correct SSSR count 274: ok 9166 # ring membership passed 274: ok 9167 # correct SSSR count 274: ok 9168 # ring membership passed 274: ok 9169 # correct SSSR count 274: ok 9170 # ring membership passed 274: ok 9171 # correct SSSR count 274: ok 9172 # ring membership passed 274: ok 9173 # correct SSSR count 274: ok 9174 # ring membership passed 274: ok 9175 # correct ring bond data 274: ok 9176 # correct ring bond data 274: ok 9177 # correct ring bond data 274: ok 9178 # correct ring bond data 274: ok 9179 # correct ring bond data 274: ok 9180 # correct ring bond data 274: ok 9181 # correct ring bond data 274: ok 9182 # correct ring bond data 274: ok 9183 # correct ring bond data 274: ok 9184 # correct ring bond data 274: ok 9185 # correct ring bond data 274: ok 9186 # correct ring bond data 274: ok 9187 # correct ring bond data 274: ok 9188 # correct ring bond data 274: ok 9189 # SSSR size matches reference 274: ok 9190 # correct SSSR count 274: ok 9191 # ring membership passed 274: ok 9192 # correct SSSR count 274: ok 9193 # ring membership passed 274: ok 9194 # correct SSSR count 274: ok 9195 # ring membership passed 274: ok 9196 # correct SSSR count 274: ok 9197 # ring membership passed 274: ok 9198 # correct SSSR count 274: ok 9199 # ring membership passed 274: ok 9200 # correct SSSR count 274: ok 9201 # ring membership passed 274: ok 9202 # correct SSSR count 274: ok 9203 # ring membership passed 274: ok 9204 # correct SSSR count 274: ok 9205 # ring membership passed 274: ok 9206 # correct SSSR count 274: ok 9207 # ring membership passed 274: ok 9208 # correct SSSR count 274: ok 9209 # ring membership passed 274: ok 9210 # correct SSSR count 274: ok 9211 # ring membership passed 274: ok 9212 # correct SSSR count 274: ok 9213 # ring membership passed 274: ok 9214 # correct SSSR count 274: ok 9215 # ring membership passed 274: ok 9216 # correct SSSR count 274: ok 9217 # ring membership passed 274: ok 9218 # correct ring bond data 274: ok 9219 # correct ring bond data 274: ok 9220 # correct ring bond data 274: ok 9221 # correct ring bond data 274: ok 9222 # correct ring bond data 274: ok 9223 # correct ring bond data 274: ok 9224 # correct ring bond data 274: ok 9225 # correct ring bond data 274: ok 9226 # correct ring bond data 274: ok 9227 # correct ring bond data 274: ok 9228 # correct ring bond data 274: ok 9229 # SSSR size matches reference 274: ok 9230 # correct SSSR count 274: ok 9231 # ring membership passed 274: ok 9232 # correct SSSR count 274: ok 9233 # ring membership passed 274: ok 9234 # correct SSSR count 274: ok 9235 # ring membership passed 274: ok 9236 # correct SSSR count 274: ok 9237 # ring membership passed 274: ok 9238 # correct SSSR count 274: ok 9239 # ring membership passed 274: ok 9240 # correct SSSR count 274: ok 9241 # ring membership passed 274: ok 9242 # correct SSSR count 274: ok 9243 # ring membership passed 274: ok 9244 # correct SSSR count 274: ok 9245 # ring membership passed 274: ok 9246 # correct SSSR count 274: ok 9247 # ring membership passed 274: ok 9248 # correct SSSR count 274: ok 9249 # ring membership passed 274: ok 9250 # correct SSSR count 274: ok 9251 # ring membership passed 274: ok 9252 # correct SSSR count 274: ok 9253 # ring membership passed 274: ok 9254 # correct ring bond data 274: ok 9255 # correct ring bond data 274: ok 9256 # correct ring bond data 274: ok 9257 # correct ring bond data 274: ok 9258 # correct ring bond data 274: ok 9259 # correct ring bond data 274: ok 9260 # correct ring bond data 274: ok 9261 # correct ring bond data 274: ok 9262 # correct ring bond data 274: ok 9263 # correct ring bond data 274: ok 9264 # correct ring bond data 274: ok 9265 # correct ring bond data 274: ok 9266 # correct ring bond data 274: ok 9267 # correct ring bond data 274: ok 9268 # correct ring bond data 274: ok 9269 # correct ring bond data 274: ok 9270 # correct ring bond data 274: ok 9271 # correct ring bond data 274: ok 9272 # correct ring bond data 274: ok 9273 # correct ring bond data 274: ok 9274 # correct ring bond data 274: ok 9275 # correct ring bond data 274: ok 9276 # correct ring bond data 274: ok 9277 # correct ring bond data 274: ok 9278 # correct ring bond data 274: ok 9279 # correct ring bond data 274: ok 9280 # correct ring bond data 274: ok 9281 # correct ring bond data 274: ok 9282 # correct ring bond data 274: ok 9283 # SSSR size matches reference 274: ok 9284 # correct SSSR count 274: ok 9285 # ring membership passed 274: ok 9286 # correct SSSR count 274: ok 9287 # ring membership passed 274: ok 9288 # correct SSSR count 274: ok 9289 # ring membership passed 274: ok 9290 # correct SSSR count 274: ok 9291 # ring membership passed 274: ok 9292 # correct SSSR count 274: ok 9293 # ring membership passed 274: ok 9294 # correct SSSR count 274: ok 9295 # ring membership passed 274: ok 9296 # correct SSSR count 274: ok 9297 # ring membership passed 274: ok 9298 # correct SSSR count 274: ok 9299 # ring membership passed 274: ok 9300 # correct SSSR count 274: ok 9301 # ring membership passed 274: ok 9302 # correct SSSR count 274: ok 9303 # ring membership passed 274: ok 9304 # correct SSSR count 274: ok 9305 # ring membership passed 274: ok 9306 # correct SSSR count 274: ok 9307 # ring membership passed 274: ok 9308 # correct SSSR count 274: ok 9309 # ring membership passed 274: ok 9310 # correct SSSR count 274: ok 9311 # ring membership passed 274: ok 9312 # correct SSSR count 274: ok 9313 # ring membership passed 274: ok 9314 # correct SSSR count 274: ok 9315 # ring membership passed 274: ok 9316 # correct SSSR count 274: ok 9317 # ring membership passed 274: ok 9318 # correct SSSR count 274: ok 9319 # ring membership passed 274: ok 9320 # correct SSSR count 274: ok 9321 # ring membership passed 274: ok 9322 # correct SSSR count 274: ok 9323 # ring membership passed 274: ok 9324 # correct SSSR count 274: ok 9325 # ring membership passed 274: ok 9326 # correct SSSR count 274: ok 9327 # ring membership passed 274: ok 9328 # correct SSSR count 274: ok 9329 # ring membership passed 274: ok 9330 # correct SSSR count 274: ok 9331 # ring membership passed 274: ok 9332 # correct SSSR count 274: ok 9333 # ring membership passed 274: ok 9334 # correct SSSR count 274: ok 9335 # ring membership passed 274: ok 9336 # correct SSSR count 274: ok 9337 # ring membership passed 274: ok 9338 # correct SSSR count 274: ok 9339 # ring membership passed 274: ok 9340 # correct ring bond data 274: ok 9341 # correct ring bond data 274: ok 9342 # correct ring bond data 274: ok 9343 # correct ring bond data 274: ok 9344 # correct ring bond data 274: ok 9345 # correct ring bond data 274: ok 9346 # correct ring bond data 274: ok 9347 # correct ring bond data 274: ok 9348 # correct ring bond data 274: ok 9349 # correct ring bond data 274: ok 9350 # correct ring bond data 274: ok 9351 # correct ring bond data 274: ok 9352 # correct ring bond data 274: ok 9353 # correct ring bond data 274: ok 9354 # correct ring bond data 274: ok 9355 # correct ring bond data 274: ok 9356 # correct ring bond data 274: ok 9357 # correct ring bond data 274: ok 9358 # correct ring bond data 274: ok 9359 # correct ring bond data 274: ok 9360 # correct ring bond data 274: ok 9361 # correct ring bond data 274: ok 9362 # correct ring bond data 274: ok 9363 # correct ring bond data 274: ok 9364 # correct ring bond data 274: ok 9365 # correct ring bond data 274: ok 9366 # correct ring bond data 274: ok 9367 # correct ring bond data 274: ok 9368 # correct ring bond data 274: ok 9369 # correct ring bond data 274: ok 9370 # correct ring bond data 274: ok 9371 # SSSR size matches reference 274: ok 9372 # correct SSSR count 274: ok 9373 # ring membership passed 274: ok 9374 # correct SSSR count 274: ok 9375 # ring membership passed 274: ok 9376 # correct SSSR count 274: ok 9377 # ring membership passed 274: ok 9378 # correct SSSR count 274: ok 9379 # ring membership passed 274: ok 9380 # correct SSSR count 274: ok 9381 # ring membership passed 274: ok 9382 # correct SSSR count 274: ok 9383 # ring membership passed 274: ok 9384 # correct SSSR count 274: ok 9385 # ring membership passed 274: ok 9386 # correct SSSR count 274: ok 9387 # ring membership passed 274: ok 9388 # correct SSSR count 274: ok 9389 # ring membership passed 274: ok 9390 # correct SSSR count 274: ok 9391 # ring membership passed 274: ok 9392 # correct SSSR count 274: ok 9393 # ring membership passed 274: ok 9394 # correct SSSR count 274: ok 9395 # ring membership passed 274: ok 9396 # correct SSSR count 274: ok 9397 # ring membership passed 274: ok 9398 # correct SSSR count 274: ok 9399 # ring membership passed 274: ok 9400 # correct SSSR count 274: ok 9401 # ring membership passed 274: ok 9402 # correct SSSR count 274: ok 9403 # ring membership passed 274: ok 9404 # correct SSSR count 274: ok 9405 # ring membership passed 274: ok 9406 # correct SSSR count 274: ok 9407 # ring membership passed 274: ok 9408 # correct SSSR count 274: ok 9409 # ring membership passed 274: ok 9410 # correct SSSR count 274: ok 9411 # ring membership passed 274: ok 9412 # correct SSSR count 274: ok 9413 # ring membership passed 274: ok 9414 # correct SSSR count 274: ok 9415 # ring membership passed 274: ok 9416 # correct SSSR count 274: ok 9417 # ring membership passed 274: ok 9418 # correct SSSR count 274: ok 9419 # ring membership passed 274: ok 9420 # correct SSSR count 274: ok 9421 # ring membership passed 274: ok 9422 # correct SSSR count 274: ok 9423 # ring membership passed 274: ok 9424 # correct SSSR count 274: ok 9425 # ring membership passed 274: ok 9426 # correct SSSR count 274: ok 9427 # ring membership passed 274: ok 9428 # correct ring bond data 274: ok 9429 # correct ring bond data 274: ok 9430 # correct ring bond data 274: ok 9431 # correct ring bond data 274: ok 9432 # correct ring bond data 274: ok 9433 # correct ring bond data 274: ok 9434 # correct ring bond data 274: ok 9435 # correct ring bond data 274: ok 9436 # correct ring bond data 274: ok 9437 # correct ring bond data 274: ok 9438 # correct ring bond data 274: ok 9439 # correct ring bond data 274: ok 9440 # correct ring bond data 274: ok 9441 # correct ring bond data 274: ok 9442 # correct ring bond data 274: ok 9443 # correct ring bond data 274: ok 9444 # correct ring bond data 274: ok 9445 # correct ring bond data 274: ok 9446 # correct ring bond data 274: ok 9447 # SSSR size matches reference 274: ok 9448 # correct SSSR count 274: ok 9449 # ring membership passed 274: ok 9450 # correct SSSR count 274: ok 9451 # ring membership passed 274: ok 9452 # correct SSSR count 274: ok 9453 # ring membership passed 274: ok 9454 # correct SSSR count 274: ok 9455 # ring membership passed 274: ok 9456 # correct SSSR count 274: ok 9457 # ring membership passed 274: ok 9458 # correct SSSR count 274: ok 9459 # ring membership passed 274: ok 9460 # correct SSSR count 274: ok 9461 # ring membership passed 274: ok 9462 # correct SSSR count 274: ok 9463 # ring membership passed 274: ok 9464 # correct SSSR count 274: ok 9465 # ring membership passed 274: ok 9466 # correct SSSR count 274: ok 9467 # ring membership passed 274: ok 9468 # correct SSSR count 274: ok 9469 # ring membership passed 274: ok 9470 # correct SSSR count 274: ok 9471 # ring membership passed 274: ok 9472 # correct SSSR count 274: ok 9473 # ring membership passed 274: ok 9474 # correct SSSR count 274: ok 9475 # ring membership passed 274: ok 9476 # correct SSSR count 274: ok 9477 # ring membership passed 274: ok 9478 # correct SSSR count 274: ok 9479 # ring membership passed 274: ok 9480 # correct SSSR count 274: ok 9481 # ring membership passed 274: ok 9482 # correct SSSR count 274: ok 9483 # ring membership passed 274: ok 9484 # correct SSSR count 274: ok 9485 # ring membership passed 274: ok 9486 # correct ring bond data 274: ok 9487 # correct ring bond data 274: ok 9488 # correct ring bond data 274: ok 9489 # correct ring bond data 274: ok 9490 # correct ring bond data 274: ok 9491 # correct ring bond data 274: ok 9492 # correct ring bond data 274: ok 9493 # correct ring bond data 274: ok 9494 # correct ring bond data 274: ok 9495 # correct ring bond data 274: ok 9496 # correct ring bond data 274: ok 9497 # correct ring bond data 274: ok 9498 # correct ring bond data 274: ok 9499 # correct ring bond data 274: ok 9500 # correct ring bond data 274: ok 9501 # correct ring bond data 274: ok 9502 # correct ring bond data 274: ok 9503 # correct ring bond data 274: ok 9504 # correct ring bond data 274: ok 9505 # correct ring bond data 274: ok 9506 # correct ring bond data 274: ok 9507 # correct ring bond data 274: ok 9508 # correct ring bond data 274: ok 9509 # correct ring bond data 274: ok 9510 # correct ring bond data 274: ok 9511 # SSSR size matches reference 274: ok 9512 # correct SSSR count 274: ok 9513 # ring membership passed 274: ok 9514 # correct SSSR count 274: ok 9515 # ring membership passed 274: ok 9516 # correct SSSR count 274: ok 9517 # ring membership passed 274: ok 9518 # correct SSSR count 274: ok 9519 # ring membership passed 274: ok 9520 # correct SSSR count 274: ok 9521 # ring membership passed 274: ok 9522 # correct SSSR count 274: ok 9523 # ring membership passed 274: ok 9524 # correct SSSR count 274: ok 9525 # ring membership passed 274: ok 9526 # correct SSSR count 274: ok 9527 # ring membership passed 274: ok 9528 # correct SSSR count 274: ok 9529 # ring membership passed 274: ok 9530 # correct SSSR count 274: ok 9531 # ring membership passed 274: ok 9532 # correct SSSR count 274: ok 9533 # ring membership passed 274: ok 9534 # correct SSSR count 274: ok 9535 # ring membership passed 274: ok 9536 # correct SSSR count 274: ok 9537 # ring membership passed 274: ok 9538 # correct SSSR count 274: ok 9539 # ring membership passed 274: ok 9540 # correct SSSR count 274: ok 9541 # ring membership passed 274: ok 9542 # correct SSSR count 274: ok 9543 # ring membership passed 274: ok 9544 # correct SSSR count 274: ok 9545 # ring membership passed 274: ok 9546 # correct SSSR count 274: ok 9547 # ring membership passed 274: ok 9548 # correct SSSR count 274: ok 9549 # ring membership passed 274: ok 9550 # correct SSSR count 274: ok 9551 # ring membership passed 274: ok 9552 # correct SSSR count 274: ok 9553 # ring membership passed 274: ok 9554 # correct SSSR count 274: ok 9555 # ring membership passed 274: ok 9556 # correct ring bond data 274: ok 9557 # correct ring bond data 274: ok 9558 # correct ring bond data 274: ok 9559 # correct ring bond data 274: ok 9560 # correct ring bond data 274: ok 9561 # correct ring bond data 274: ok 9562 # correct ring bond data 274: ok 9563 # correct ring bond data 274: ok 9564 # correct ring bond data 274: ok 9565 # correct ring bond data 274: ok 9566 # correct ring bond data 274: ok 9567 # correct ring bond data 274: ok 9568 # correct ring bond data 274: ok 9569 # correct ring bond data 274: ok 9570 # correct ring bond data 274: ok 9571 # correct ring bond data 274: ok 9572 # correct ring bond data 274: ok 9573 # correct ring bond data 274: ok 9574 # SSSR size matches reference 274: ok 9575 # correct SSSR count 274: ok 9576 # ring membership passed 274: ok 9577 # correct SSSR count 274: ok 9578 # ring membership passed 274: ok 9579 # correct SSSR count 274: ok 9580 # ring membership passed 274: ok 9581 # correct SSSR count 274: ok 9582 # ring membership passed 274: ok 9583 # correct SSSR count 274: ok 9584 # ring membership passed 274: ok 9585 # correct SSSR count 274: ok 9586 # ring membership passed 274: ok 9587 # correct SSSR count 274: ok 9588 # ring membership passed 274: ok 9589 # correct SSSR count 274: ok 9590 # ring membership passed 274: ok 9591 # correct SSSR count 274: ok 9592 # ring membership passed 274: ok 9593 # correct SSSR count 274: ok 9594 # ring membership passed 274: ok 9595 # correct SSSR count 274: ok 9596 # ring membership passed 274: ok 9597 # correct SSSR count 274: ok 9598 # ring membership passed 274: ok 9599 # correct SSSR count 274: ok 9600 # ring membership passed 274: ok 9601 # correct SSSR count 274: ok 9602 # ring membership passed 274: ok 9603 # correct SSSR count 274: ok 9604 # ring membership passed 274: ok 9605 # correct SSSR count 274: ok 9606 # ring membership passed 274: ok 9607 # correct SSSR count 274: ok 9608 # ring membership passed 274: ok 9609 # correct ring bond data 274: ok 9610 # correct ring bond data 274: ok 9611 # correct ring bond data 274: ok 9612 # correct ring bond data 274: ok 9613 # correct ring bond data 274: ok 9614 # correct ring bond data 274: ok 9615 # correct ring bond data 274: ok 9616 # correct ring bond data 274: ok 9617 # correct ring bond data 274: ok 9618 # correct ring bond data 274: ok 9619 # correct ring bond data 274: ok 9620 # correct ring bond data 274: ok 9621 # correct ring bond data 274: ok 9622 # correct ring bond data 274: ok 9623 # correct ring bond data 274: ok 9624 # correct ring bond data 274: ok 9625 # correct ring bond data 274: ok 9626 # correct ring bond data 274: ok 9627 # correct ring bond data 274: ok 9628 # correct ring bond data 274: ok 9629 # correct ring bond data 274: ok 9630 # correct ring bond data 274: ok 9631 # correct ring bond data 274: ok 9632 # correct ring bond data 274: ok 9633 # correct ring bond data 274: ok 9634 # correct ring bond data 274: ok 9635 # correct ring bond data 274: ok 9636 # SSSR size matches reference 274: ok 9637 # correct SSSR count 274: ok 9638 # ring membership passed 274: ok 9639 # correct SSSR count 274: ok 9640 # ring membership passed 274: ok 9641 # correct SSSR count 274: ok 9642 # ring membership passed 274: ok 9643 # correct SSSR count 274: ok 9644 # ring membership passed 274: ok 9645 # correct SSSR count 274: ok 9646 # ring membership passed 274: ok 9647 # correct SSSR count 274: ok 9648 # ring membership passed 274: ok 9649 # correct SSSR count 274: ok 9650 # ring membership passed 274: ok 9651 # correct SSSR count 274: ok 9652 # ring membership passed 274: ok 9653 # correct SSSR count 274: ok 9654 # ring membership passed 274: ok 9655 # correct SSSR count 274: ok 9656 # ring membership passed 274: ok 9657 # correct SSSR count 274: ok 9658 # ring membership passed 274: ok 9659 # correct SSSR count 274: ok 9660 # ring membership passed 274: ok 9661 # correct SSSR count 274: ok 9662 # ring membership passed 274: ok 9663 # correct SSSR count 274: ok 9664 # ring membership passed 274: ok 9665 # correct SSSR count 274: ok 9666 # ring membership passed 274: ok 9667 # correct SSSR count 274: ok 9668 # ring membership passed 274: ok 9669 # correct SSSR count 274: ok 9670 # ring membership passed 274: ok 9671 # correct SSSR count 274: ok 9672 # ring membership passed 274: ok 9673 # correct SSSR count 274: ok 9674 # ring membership passed 274: ok 9675 # correct SSSR count 274: ok 9676 # ring membership passed 274: ok 9677 # correct SSSR count 274: ok 9678 # ring membership passed 274: ok 9679 # correct SSSR count 274: ok 9680 # ring membership passed 274: ok 9681 # correct SSSR count 274: ok 9682 # ring membership passed 274: ok 9683 # correct SSSR count 274: ok 9684 # ring membership passed 274: ok 9685 # correct SSSR count 274: ok 9686 # ring membership passed 274: ok 9687 # correct ring bond data 274: ok 9688 # correct ring bond data 274: ok 9689 # correct ring bond data 274: ok 9690 # correct ring bond data 274: ok 9691 # correct ring bond data 274: ok 9692 # correct ring bond data 274: ok 9693 # correct ring bond data 274: ok 9694 # correct ring bond data 274: ok 9695 # correct ring bond data 274: ok 9696 # correct ring bond data 274: ok 9697 # correct ring bond data 274: ok 9698 # correct ring bond data 274: ok 9699 # correct ring bond data 274: ok 9700 # correct ring bond data 274: ok 9701 # correct ring bond data 274: ok 9702 # correct ring bond data 274: ok 9703 # correct ring bond data 274: ok 9704 # correct ring bond data 274: ok 9705 # correct ring bond data 274: ok 9706 # correct ring bond data 274: ok 9707 # correct ring bond data 274: ok 9708 # correct ring bond data 274: ok 9709 # correct ring bond data 274: ok 9710 # correct ring bond data 274: ok 9711 # SSSR size matches reference 274: ok 9712 # correct SSSR count 274: ok 9713 # ring membership passed 274: ok 9714 # correct SSSR count 274: ok 9715 # ring membership passed 274: ok 9716 # correct SSSR count 274: ok 9717 # ring membership passed 274: ok 9718 # correct SSSR count 274: ok 9719 # ring membership passed 274: ok 9720 # correct SSSR count 274: ok 9721 # ring membership passed 274: ok 9722 # correct SSSR count 274: ok 9723 # ring membership passed 274: ok 9724 # correct SSSR count 274: ok 9725 # ring membership passed 274: ok 9726 # correct SSSR count 274: ok 9727 # ring membership passed 274: ok 9728 # correct SSSR count 274: ok 9729 # ring membership passed 274: ok 9730 # correct SSSR count 274: ok 9731 # ring membership passed 274: ok 9732 # correct SSSR count 274: ok 9733 # ring membership passed 274: ok 9734 # correct SSSR count 274: ok 9735 # ring membership passed 274: ok 9736 # correct SSSR count 274: ok 9737 # ring membership passed 274: ok 9738 # correct SSSR count 274: ok 9739 # ring membership passed 274: ok 9740 # correct SSSR count 274: ok 9741 # ring membership passed 274: ok 9742 # correct SSSR count 274: ok 9743 # ring membership passed 274: ok 9744 # correct SSSR count 274: ok 9745 # ring membership passed 274: ok 9746 # correct SSSR count 274: ok 9747 # ring membership passed 274: ok 9748 # correct SSSR count 274: ok 9749 # ring membership passed 274: ok 9750 # correct SSSR count 274: ok 9751 # ring membership passed 274: ok 9752 # correct SSSR count 274: ok 9753 # ring membership passed 274: ok 9754 # correct SSSR count 274: ok 9755 # ring membership passed 274: ok 9756 # correct SSSR count 274: ok 9757 # ring membership passed 274: ok 9758 # correct ring bond data 274: ok 9759 # correct ring bond data 274: ok 9760 # correct ring bond data 274: ok 9761 # correct ring bond data 274: ok 9762 # correct ring bond data 274: ok 9763 # correct ring bond data 274: ok 9764 # correct ring bond data 274: ok 9765 # correct ring bond data 274: ok 9766 # correct ring bond data 274: ok 9767 # correct ring bond data 274: ok 9768 # correct ring bond data 274: ok 9769 # correct ring bond data 274: ok 9770 # correct ring bond data 274: ok 9771 # correct ring bond data 274: ok 9772 # correct ring bond data 274: ok 9773 # correct ring bond data 274: ok 9774 # correct ring bond data 274: ok 9775 # correct ring bond data 274: ok 9776 # correct ring bond data 274: ok 9777 # correct ring bond data 274: ok 9778 # correct ring bond data 274: ok 9779 # correct ring bond data 274: ok 9780 # correct ring bond data 274: ok 9781 # correct ring bond data 274: ok 9782 # SSSR size matches reference 274: ok 9783 # correct SSSR count 274: ok 9784 # ring membership passed 274: ok 9785 # correct SSSR count 274: ok 9786 # ring membership passed 274: ok 9787 # correct SSSR count 274: ok 9788 # ring membership passed 274: ok 9789 # correct SSSR count 274: ok 9790 # ring membership passed 274: ok 9791 # correct SSSR count 274: ok 9792 # ring membership passed 274: ok 9793 # correct SSSR count 274: ok 9794 # ring membership passed 274: ok 9795 # correct SSSR count 274: ok 9796 # ring membership passed 274: ok 9797 # correct SSSR count 274: ok 9798 # ring membership passed 274: ok 9799 # correct SSSR count 274: ok 9800 # ring membership passed 274: ok 9801 # correct SSSR count 274: ok 9802 # ring membership passed 274: ok 9803 # correct SSSR count 274: ok 9804 # ring membership passed 274: ok 9805 # correct SSSR count 274: ok 9806 # ring membership passed 274: ok 9807 # correct SSSR count 274: ok 9808 # ring membership passed 274: ok 9809 # correct SSSR count 274: ok 9810 # ring membership passed 274: ok 9811 # correct SSSR count 274: ok 9812 # ring membership passed 274: ok 9813 # correct SSSR count 274: ok 9814 # ring membership passed 274: ok 9815 # correct SSSR count 274: ok 9816 # ring membership passed 274: ok 9817 # correct SSSR count 274: ok 9818 # ring membership passed 274: ok 9819 # correct SSSR count 274: ok 9820 # ring membership passed 274: ok 9821 # correct SSSR count 274: ok 9822 # ring membership passed 274: ok 9823 # correct SSSR count 274: ok 9824 # ring membership passed 274: ok 9825 # correct SSSR count 274: ok 9826 # ring membership passed 274: ok 9827 # correct ring bond data 274: ok 9828 # correct ring bond data 274: ok 9829 # correct ring bond data 274: ok 9830 # correct ring bond data 274: ok 9831 # correct ring bond data 274: ok 9832 # correct ring bond data 274: ok 9833 # correct ring bond data 274: ok 9834 # correct ring bond data 274: ok 9835 # correct ring bond data 274: ok 9836 # correct ring bond data 274: ok 9837 # correct ring bond data 274: ok 9838 # correct ring bond data 274: ok 9839 # correct ring bond data 274: ok 9840 # correct ring bond data 274: ok 9841 # correct ring bond data 274: ok 9842 # correct ring bond data 274: ok 9843 # correct ring bond data 274: ok 9844 # correct ring bond data 274: ok 9845 # correct ring bond data 274: ok 9846 # correct ring bond data 274: ok 9847 # correct ring bond data 274: ok 9848 # correct ring bond data 274: ok 9849 # correct ring bond data 274: ok 9850 # correct ring bond data 274: ok 9851 # correct ring bond data 274: ok 9852 # correct ring bond data 274: ok 9853 # correct ring bond data 274: ok 9854 # correct ring bond data 274: ok 9855 # correct ring bond data 274: ok 9856 # SSSR size matches reference 274: ok 9857 # correct SSSR count 274: ok 9858 # ring membership passed 274: ok 9859 # correct SSSR count 274: ok 9860 # ring membership passed 274: ok 9861 # correct SSSR count 274: ok 9862 # ring membership passed 274: ok 9863 # correct SSSR count 274: ok 9864 # ring membership passed 274: ok 9865 # correct SSSR count 274: ok 9866 # ring membership passed 274: ok 9867 # correct SSSR count 274: ok 9868 # ring membership passed 274: ok 9869 # correct SSSR count 274: ok 9870 # ring membership passed 274: ok 9871 # correct SSSR count 274: ok 9872 # ring membership passed 274: ok 9873 # correct SSSR count 274: ok 9874 # ring membership passed 274: ok 9875 # correct SSSR count 274: ok 9876 # ring membership passed 274: ok 9877 # correct SSSR count 274: ok 9878 # ring membership passed 274: ok 9879 # correct SSSR count 274: ok 9880 # ring membership passed 274: ok 9881 # correct SSSR count 274: ok 9882 # ring membership passed 274: ok 9883 # correct SSSR count 274: ok 9884 # ring membership passed 274: ok 9885 # correct SSSR count 274: ok 9886 # ring membership passed 274: ok 9887 # correct SSSR count 274: ok 9888 # ring membership passed 274: ok 9889 # correct SSSR count 274: ok 9890 # ring membership passed 274: ok 9891 # correct SSSR count 274: ok 9892 # ring membership passed 274: ok 9893 # correct SSSR count 274: ok 9894 # ring membership passed 274: ok 9895 # correct SSSR count 274: ok 9896 # ring membership passed 274: ok 9897 # correct SSSR count 274: ok 9898 # ring membership passed 274: ok 9899 # correct SSSR count 274: ok 9900 # ring membership passed 274: ok 9901 # correct SSSR count 274: ok 9902 # ring membership passed 274: ok 9903 # correct SSSR count 274: ok 9904 # ring membership passed 274: ok 9905 # correct SSSR count 274: ok 9906 # ring membership passed 274: ok 9907 # correct SSSR count 274: ok 9908 # ring membership passed 274: ok 9909 # correct SSSR count 274: ok 9910 # ring membership passed 274: ok 9911 # correct ring bond data 274: ok 9912 # correct ring bond data 274: ok 9913 # correct ring bond data 274: ok 9914 # correct ring bond data 274: ok 9915 # correct ring bond data 274: ok 9916 # correct ring bond data 274: ok 9917 # correct ring bond data 274: ok 9918 # correct ring bond data 274: ok 9919 # correct ring bond data 274: ok 9920 # correct ring bond data 274: ok 9921 # correct ring bond data 274: ok 9922 # correct ring bond data 274: ok 9923 # correct ring bond data 274: ok 9924 # correct ring bond data 274: ok 9925 # correct ring bond data 274: ok 9926 # correct ring bond data 274: ok 9927 # correct ring bond data 274: ok 9928 # correct ring bond data 274: ok 9929 # correct ring bond data 274: ok 9930 # correct ring bond data 274: ok 9931 # correct ring bond data 274: ok 9932 # correct ring bond data 274: ok 9933 # correct ring bond data 274: ok 9934 # correct ring bond data 274: ok 9935 # correct ring bond data 274: ok 9936 # correct ring bond data 274: ok 9937 # correct ring bond data 274: ok 9938 # correct ring bond data 274: ok 9939 # correct ring bond data 274: ok 9940 # SSSR size matches reference 274: ok 9941 # correct SSSR count 274: ok 9942 # ring membership passed 274: ok 9943 # correct SSSR count 274: ok 9944 # ring membership passed 274: ok 9945 # correct SSSR count 274: ok 9946 # ring membership passed 274: ok 9947 # correct SSSR count 274: ok 9948 # ring membership passed 274: ok 9949 # correct SSSR count 274: ok 9950 # ring membership passed 274: ok 9951 # correct SSSR count 274: ok 9952 # ring membership passed 274: ok 9953 # correct SSSR count 274: ok 9954 # ring membership passed 274: ok 9955 # correct SSSR count 274: ok 9956 # ring membership passed 274: ok 9957 # correct SSSR count 274: ok 9958 # ring membership passed 274: ok 9959 # correct SSSR count 274: ok 9960 # ring membership passed 274: ok 9961 # correct SSSR count 274: ok 9962 # ring membership passed 274: ok 9963 # correct SSSR count 274: ok 9964 # ring membership passed 274: ok 9965 # correct SSSR count 274: ok 9966 # ring membership passed 274: ok 9967 # correct SSSR count 274: ok 9968 # ring membership passed 274: ok 9969 # correct SSSR count 274: ok 9970 # ring membership passed 274: ok 9971 # correct SSSR count 274: ok 9972 # ring membership passed 274: ok 9973 # correct SSSR count 274: ok 9974 # ring membership passed 274: ok 9975 # correct SSSR count 274: ok 9976 # ring membership passed 274: ok 9977 # correct SSSR count 274: ok 9978 # ring membership passed 274: ok 9979 # correct SSSR count 274: ok 9980 # ring membership passed 274: ok 9981 # correct SSSR count 274: ok 9982 # ring membership passed 274: ok 9983 # correct SSSR count 274: ok 9984 # ring membership passed 274: ok 9985 # correct SSSR count 274: ok 9986 # ring membership passed 274: ok 9987 # correct SSSR count 274: ok 9988 # ring membership passed 274: ok 9989 # correct SSSR count 274: ok 9990 # ring membership passed 274: ok 9991 # correct SSSR count 274: ok 9992 # ring membership passed 274: ok 9993 # correct SSSR count 274: ok 9994 # ring membership passed 274: ok 9995 # correct ring bond data 274: ok 9996 # correct ring bond data 274: ok 9997 # correct ring bond data 274: ok 9998 # correct ring bond data 274: ok 9999 # correct ring bond data 274: ok 10000 # correct ring bond data 274: ok 10001 # correct ring bond data 274: ok 10002 # correct ring bond data 274: ok 10003 # correct ring bond data 274: ok 10004 # correct ring bond data 274: ok 10005 # correct ring bond data 274: ok 10006 # correct ring bond data 274: ok 10007 # correct ring bond data 274: ok 10008 # correct ring bond data 274: ok 10009 # correct ring bond data 274: ok 10010 # correct ring bond data 274: ok 10011 # correct ring bond data 274: ok 10012 # SSSR size matches reference 274: ok 10013 # correct SSSR count 274: ok 10014 # ring membership passed 274: ok 10015 # correct SSSR count 274: ok 10016 # ring membership passed 274: ok 10017 # correct SSSR count 274: ok 10018 # ring membership passed 274: ok 10019 # correct SSSR count 274: ok 10020 # ring membership passed 274: ok 10021 # correct SSSR count 274: ok 10022 # ring membership passed 274: ok 10023 # correct SSSR count 274: ok 10024 # ring membership passed 274: ok 10025 # correct SSSR count 274: ok 10026 # ring membership passed 274: ok 10027 # correct SSSR count 274: ok 10028 # ring membership passed 274: ok 10029 # correct SSSR count 274: ok 10030 # ring membership passed 274: ok 10031 # correct SSSR count 274: ok 10032 # ring membership passed 274: ok 10033 # correct SSSR count 274: ok 10034 # ring membership passed 274: ok 10035 # correct SSSR count 274: ok 10036 # ring membership passed 274: ok 10037 # correct SSSR count 274: ok 10038 # ring membership passed 274: ok 10039 # correct SSSR count 274: ok 10040 # ring membership passed 274: ok 10041 # correct SSSR count 274: ok 10042 # ring membership passed 274: ok 10043 # correct SSSR count 274: ok 10044 # ring membership passed 274: ok 10045 # correct ring bond data 274: ok 10046 # correct ring bond data 274: ok 10047 # correct ring bond data 274: ok 10048 # correct ring bond data 274: ok 10049 # correct ring bond data 274: ok 10050 # correct ring bond data 274: ok 10051 # correct ring bond data 274: ok 10052 # correct ring bond data 274: ok 10053 # correct ring bond data 274: ok 10054 # correct ring bond data 274: ok 10055 # correct ring bond data 274: ok 10056 # correct ring bond data 274: ok 10057 # correct ring bond data 274: ok 10058 # correct ring bond data 274: ok 10059 # correct ring bond data 274: ok 10060 # correct ring bond data 274: ok 10061 # correct ring bond data 274: ok 10062 # correct ring bond data 274: ok 10063 # SSSR size matches reference 274: ok 10064 # correct SSSR count 274: ok 10065 # ring membership passed 274: ok 10066 # correct SSSR count 274: ok 10067 # ring membership passed 274: ok 10068 # correct SSSR count 274: ok 10069 # ring membership passed 274: ok 10070 # correct SSSR count 274: ok 10071 # ring membership passed 274: ok 10072 # correct SSSR count 274: ok 10073 # ring membership passed 274: ok 10074 # correct SSSR count 274: ok 10075 # ring membership passed 274: ok 10076 # correct SSSR count 274: ok 10077 # ring membership passed 274: ok 10078 # correct SSSR count 274: ok 10079 # ring membership passed 274: ok 10080 # correct SSSR count 274: ok 10081 # ring membership passed 274: ok 10082 # correct SSSR count 274: ok 10083 # ring membership passed 274: ok 10084 # correct SSSR count 274: ok 10085 # ring membership passed 274: ok 10086 # correct SSSR count 274: ok 10087 # ring membership passed 274: ok 10088 # correct SSSR count 274: ok 10089 # ring membership passed 274: ok 10090 # correct SSSR count 274: ok 10091 # ring membership passed 274: ok 10092 # correct SSSR count 274: ok 10093 # ring membership passed 274: ok 10094 # correct SSSR count 274: ok 10095 # ring membership passed 274: ok 10096 # correct SSSR count 274: ok 10097 # ring membership passed 274: ok 10098 # correct SSSR count 274: ok 10099 # ring membership passed 274: ok 10100 # correct ring bond data 274: ok 10101 # correct ring bond data 274: ok 10102 # correct ring bond data 274: ok 10103 # correct ring bond data 274: ok 10104 # correct ring bond data 274: ok 10105 # correct ring bond data 274: ok 10106 # correct ring bond data 274: ok 10107 # correct ring bond data 274: ok 10108 # correct ring bond data 274: ok 10109 # correct ring bond data 274: ok 10110 # correct ring bond data 274: ok 10111 # correct ring bond data 274: ok 10112 # correct ring bond data 274: ok 10113 # correct ring bond data 274: ok 10114 # correct ring bond data 274: ok 10115 # correct ring bond data 274: ok 10116 # correct ring bond data 274: ok 10117 # correct ring bond data 274: ok 10118 # SSSR size matches reference 274: ok 10119 # correct SSSR count 274: ok 10120 # ring membership passed 274: ok 10121 # correct SSSR count 274: ok 10122 # ring membership passed 274: ok 10123 # correct SSSR count 274: ok 10124 # ring membership passed 274: ok 10125 # correct SSSR count 274: ok 10126 # ring membership passed 274: ok 10127 # correct SSSR count 274: ok 10128 # ring membership passed 274: ok 10129 # correct SSSR count 274: ok 10130 # ring membership passed 274: ok 10131 # correct SSSR count 274: ok 10132 # ring membership passed 274: ok 10133 # correct SSSR count 274: ok 10134 # ring membership passed 274: ok 10135 # correct SSSR count 274: ok 10136 # ring membership passed 274: ok 10137 # correct SSSR count 274: ok 10138 # ring membership passed 274: ok 10139 # correct SSSR count 274: ok 10140 # ring membership passed 274: ok 10141 # correct SSSR count 274: ok 10142 # ring membership passed 274: ok 10143 # correct SSSR count 274: ok 10144 # ring membership passed 274: ok 10145 # correct SSSR count 274: ok 10146 # ring membership passed 274: ok 10147 # correct SSSR count 274: ok 10148 # ring membership passed 274: ok 10149 # correct SSSR count 274: ok 10150 # ring membership passed 274: ok 10151 # correct SSSR count 274: ok 10152 # ring membership passed 274: ok 10153 # correct SSSR count 274: ok 10154 # ring membership passed 274: ok 10155 # correct ring bond data 274: ok 10156 # correct ring bond data 274: ok 10157 # correct ring bond data 274: ok 10158 # correct ring bond data 274: ok 10159 # correct ring bond data 274: ok 10160 # correct ring bond data 274: ok 10161 # correct ring bond data 274: ok 10162 # correct ring bond data 274: ok 10163 # correct ring bond data 274: ok 10164 # correct ring bond data 274: ok 10165 # correct ring bond data 274: ok 10166 # correct ring bond data 274: ok 10167 # correct ring bond data 274: ok 10168 # correct ring bond data 274: ok 10169 # correct ring bond data 274: ok 10170 # correct ring bond data 274: ok 10171 # correct ring bond data 274: ok 10172 # correct ring bond data 274: ok 10173 # SSSR size matches reference 274: ok 10174 # correct SSSR count 274: ok 10175 # ring membership passed 274: ok 10176 # correct SSSR count 274: ok 10177 # ring membership passed 274: ok 10178 # correct SSSR count 274: ok 10179 # ring membership passed 274: ok 10180 # correct SSSR count 274: ok 10181 # ring membership passed 274: ok 10182 # correct SSSR count 274: ok 10183 # ring membership passed 274: ok 10184 # correct SSSR count 274: ok 10185 # ring membership passed 274: ok 10186 # correct SSSR count 274: ok 10187 # ring membership passed 274: ok 10188 # correct SSSR count 274: ok 10189 # ring membership passed 274: ok 10190 # correct SSSR count 274: ok 10191 # ring membership passed 274: ok 10192 # correct SSSR count 274: ok 10193 # ring membership passed 274: ok 10194 # correct SSSR count 274: ok 10195 # ring membership passed 274: ok 10196 # correct SSSR count 274: ok 10197 # ring membership passed 274: ok 10198 # correct SSSR count 274: ok 10199 # ring membership passed 274: ok 10200 # correct SSSR count 274: ok 10201 # ring membership passed 274: ok 10202 # correct SSSR count 274: ok 10203 # ring membership passed 274: ok 10204 # correct SSSR count 274: ok 10205 # ring membership passed 274: ok 10206 # correct SSSR count 274: ok 10207 # ring membership passed 274: ok 10208 # correct SSSR count 274: ok 10209 # ring membership passed 274: ok 10210 # correct ring bond data 274: ok 10211 # correct ring bond data 274: ok 10212 # correct ring bond data 274: ok 10213 # correct ring bond data 274: ok 10214 # correct ring bond data 274: ok 10215 # correct ring bond data 274: ok 10216 # correct ring bond data 274: ok 10217 # correct ring bond data 274: ok 10218 # correct ring bond data 274: ok 10219 # correct ring bond data 274: ok 10220 # correct ring bond data 274: ok 10221 # correct ring bond data 274: ok 10222 # correct ring bond data 274: ok 10223 # correct ring bond data 274: ok 10224 # correct ring bond data 274: ok 10225 # correct ring bond data 274: ok 10226 # correct ring bond data 274: ok 10227 # correct ring bond data 274: ok 10228 # correct ring bond data 274: ok 10229 # correct ring bond data 274: ok 10230 # correct ring bond data 274: ok 10231 # correct ring bond data 274: ok 10232 # correct ring bond data 274: ok 10233 # correct ring bond data 274: ok 10234 # correct ring bond data 274: ok 10235 # correct ring bond data 274: ok 10236 # correct ring bond data 274: ok 10237 # correct ring bond data 274: ok 10238 # correct ring bond data 274: ok 10239 # correct ring bond data 274: ok 10240 # correct ring bond data 274: ok 10241 # SSSR size matches reference 274: ok 10242 # correct SSSR count 274: ok 10243 # ring membership passed 274: ok 10244 # correct SSSR count 274: ok 10245 # ring membership passed 274: ok 10246 # correct SSSR count 274: ok 10247 # ring membership passed 274: ok 10248 # correct SSSR count 274: ok 10249 # ring membership passed 274: ok 10250 # correct SSSR count 274: ok 10251 # ring membership passed 274: ok 10252 # correct SSSR count 274: ok 10253 # ring membership passed 274: ok 10254 # correct SSSR count 274: ok 10255 # ring membership passed 274: ok 10256 # correct SSSR count 274: ok 10257 # ring membership passed 274: ok 10258 # correct SSSR count 274: ok 10259 # ring membership passed 274: ok 10260 # correct SSSR count 274: ok 10261 # ring membership passed 274: ok 10262 # correct SSSR count 274: ok 10263 # ring membership passed 274: ok 10264 # correct SSSR count 274: ok 10265 # ring membership passed 274: ok 10266 # correct SSSR count 274: ok 10267 # ring membership passed 274: ok 10268 # correct SSSR count 274: ok 10269 # ring membership passed 274: ok 10270 # correct SSSR count 274: ok 10271 # ring membership passed 274: ok 10272 # correct SSSR count 274: ok 10273 # ring membership passed 274: ok 10274 # correct SSSR count 274: ok 10275 # ring membership passed 274: ok 10276 # correct SSSR count 274: ok 10277 # ring membership passed 274: ok 10278 # correct SSSR count 274: ok 10279 # ring membership passed 274: ok 10280 # correct SSSR count 274: ok 10281 # ring membership passed 274: ok 10282 # correct SSSR count 274: ok 10283 # ring membership passed 274: ok 10284 # correct SSSR count 274: ok 10285 # ring membership passed 274: ok 10286 # correct SSSR count 274: ok 10287 # ring membership passed 274: ok 10288 # correct SSSR count 274: ok 10289 # ring membership passed 274: ok 10290 # correct SSSR count 274: ok 10291 # ring membership passed 274: ok 10292 # correct SSSR count 274: ok 10293 # ring membership passed 274: ok 10294 # correct SSSR count 274: ok 10295 # ring membership passed 274: ok 10296 # correct SSSR count 274: ok 10297 # ring membership passed 274: ok 10298 # correct ring bond data 274: ok 10299 # correct ring bond data 274: ok 10300 # correct ring bond data 274: ok 10301 # correct ring bond data 274: ok 10302 # correct ring bond data 274: ok 10303 # correct ring bond data 274: ok 10304 # correct ring bond data 274: ok 10305 # correct ring bond data 274: ok 10306 # correct ring bond data 274: ok 10307 # correct ring bond data 274: ok 10308 # SSSR size matches reference 274: ok 10309 # correct SSSR count 274: ok 10310 # ring membership passed 274: ok 10311 # correct SSSR count 274: ok 10312 # ring membership passed 274: ok 10313 # correct SSSR count 274: ok 10314 # ring membership passed 274: ok 10315 # correct SSSR count 274: ok 10316 # ring membership passed 274: ok 10317 # correct SSSR count 274: ok 10318 # ring membership passed 274: ok 10319 # correct SSSR count 274: ok 10320 # ring membership passed 274: ok 10321 # correct SSSR count 274: ok 10322 # ring membership passed 274: ok 10323 # correct SSSR count 274: ok 10324 # ring membership passed 274: ok 10325 # correct SSSR count 274: ok 10326 # ring membership passed 274: ok 10327 # correct SSSR count 274: ok 10328 # ring membership passed 274: ok 10329 # correct ring bond data 274: ok 10330 # correct ring bond data 274: ok 10331 # correct ring bond data 274: ok 10332 # correct ring bond data 274: ok 10333 # correct ring bond data 274: ok 10334 # correct ring bond data 274: ok 10335 # correct ring bond data 274: ok 10336 # correct ring bond data 274: ok 10337 # correct ring bond data 274: ok 10338 # correct ring bond data 274: ok 10339 # correct ring bond data 274: ok 10340 # correct ring bond data 274: ok 10341 # correct ring bond data 274: ok 10342 # correct ring bond data 274: ok 10343 # correct ring bond data 274: ok 10344 # correct ring bond data 274: ok 10345 # correct ring bond data 274: ok 10346 # correct ring bond data 274: ok 10347 # correct ring bond data 274: ok 10348 # correct ring bond data 274: ok 10349 # SSSR size matches reference 274: ok 10350 # correct SSSR count 274: ok 10351 # ring membership passed 274: ok 10352 # correct SSSR count 274: ok 10353 # ring membership passed 274: ok 10354 # correct SSSR count 274: ok 10355 # ring membership passed 274: ok 10356 # correct SSSR count 274: ok 10357 # ring membership passed 274: ok 10358 # correct SSSR count 274: ok 10359 # ring membership passed 274: ok 10360 # correct SSSR count 274: ok 10361 # ring membership passed 274: ok 10362 # correct SSSR count 274: ok 10363 # ring membership passed 274: ok 10364 # correct SSSR count 274: ok 10365 # ring membership passed 274: ok 10366 # correct SSSR count 274: ok 10367 # ring membership passed 274: ok 10368 # correct SSSR count 274: ok 10369 # ring membership passed 274: ok 10370 # correct SSSR count 274: ok 10371 # ring membership passed 274: ok 10372 # correct SSSR count 274: ok 10373 # ring membership passed 274: ok 10374 # correct SSSR count 274: ok 10375 # ring membership passed 274: ok 10376 # correct SSSR count 274: ok 10377 # ring membership passed 274: ok 10378 # correct SSSR count 274: ok 10379 # ring membership passed 274: ok 10380 # correct SSSR count 274: ok 10381 # ring membership passed 274: ok 10382 # correct SSSR count 274: ok 10383 # ring membership passed 274: ok 10384 # correct SSSR count 274: ok 10385 # ring membership passed 274: ok 10386 # correct SSSR count 274: ok 10387 # ring membership passed 274: ok 10388 # correct SSSR count 274: ok 10389 # ring membership passed 274: ok 10390 # correct ring bond data 274: ok 10391 # correct ring bond data 274: ok 10392 # correct ring bond data 274: ok 10393 # correct ring bond data 274: ok 10394 # correct ring bond data 274: ok 10395 # correct ring bond data 274: ok 10396 # correct ring bond data 274: ok 10397 # correct ring bond data 274: ok 10398 # correct ring bond data 274: ok 10399 # correct ring bond data 274: ok 10400 # correct ring bond data 274: ok 10401 # correct ring bond data 274: ok 10402 # correct ring bond data 274: ok 10403 # correct ring bond data 274: ok 10404 # correct ring bond data 274: ok 10405 # correct ring bond data 274: ok 10406 # correct ring bond data 274: ok 10407 # correct ring bond data 274: ok 10408 # correct ring bond data 274: ok 10409 # correct ring bond data 274: ok 10410 # correct ring bond data 274: ok 10411 # correct ring bond data 274: ok 10412 # correct ring bond data 274: ok 10413 # correct ring bond data 274: ok 10414 # correct ring bond data 274: ok 10415 # correct ring bond data 274: ok 10416 # correct ring bond data 274: ok 10417 # correct ring bond data 274: ok 10418 # correct ring bond data 274: ok 10419 # SSSR size matches reference 274: ok 10420 # correct SSSR count 274: ok 10421 # ring membership passed 274: ok 10422 # correct SSSR count 274: ok 10423 # ring membership passed 274: ok 10424 # correct SSSR count 274: ok 10425 # ring membership passed 274: ok 10426 # correct SSSR count 274: ok 10427 # ring membership passed 274: ok 10428 # correct SSSR count 274: ok 10429 # ring membership passed 274: ok 10430 # correct SSSR count 274: ok 10431 # ring membership passed 274: ok 10432 # correct SSSR count 274: ok 10433 # ring membership passed 274: ok 10434 # correct SSSR count 274: ok 10435 # ring membership passed 274: ok 10436 # correct SSSR count 274: ok 10437 # ring membership passed 274: ok 10438 # correct SSSR count 274: ok 10439 # ring membership passed 274: ok 10440 # correct SSSR count 274: ok 10441 # ring membership passed 274: ok 10442 # correct SSSR count 274: ok 10443 # ring membership passed 274: ok 10444 # correct SSSR count 274: ok 10445 # ring membership passed 274: ok 10446 # correct SSSR count 274: ok 10447 # ring membership passed 274: ok 10448 # correct SSSR count 274: ok 10449 # ring membership passed 274: ok 10450 # correct SSSR count 274: ok 10451 # ring membership passed 274: ok 10452 # correct SSSR count 274: ok 10453 # ring membership passed 274: ok 10454 # correct SSSR count 274: ok 10455 # ring membership passed 274: ok 10456 # correct SSSR count 274: ok 10457 # ring membership passed 274: ok 10458 # correct SSSR count 274: ok 10459 # ring membership passed 274: ok 10460 # correct SSSR count 274: ok 10461 # ring membership passed 274: ok 10462 # correct SSSR count 274: ok 10463 # ring membership passed 274: ok 10464 # correct SSSR count 274: ok 10465 # ring membership passed 274: ok 10466 # correct SSSR count 274: ok 10467 # ring membership passed 274: ok 10468 # correct SSSR count 274: ok 10469 # ring membership passed 274: ok 10470 # correct SSSR count 274: ok 10471 # ring membership passed 274: ok 10472 # correct ring bond data 274: ok 10473 # correct ring bond data 274: ok 10474 # correct ring bond data 274: ok 10475 # correct ring bond data 274: ok 10476 # correct ring bond data 274: ok 10477 # correct ring bond data 274: ok 10478 # correct ring bond data 274: ok 10479 # correct ring bond data 274: ok 10480 # correct ring bond data 274: ok 10481 # correct ring bond data 274: ok 10482 # correct ring bond data 274: ok 10483 # correct ring bond data 274: ok 10484 # correct ring bond data 274: ok 10485 # correct ring bond data 274: ok 10486 # correct ring bond data 274: ok 10487 # correct ring bond data 274: ok 10488 # SSSR size matches reference 274: ok 10489 # correct SSSR count 274: ok 10490 # ring membership passed 274: ok 10491 # correct SSSR count 274: ok 10492 # ring membership passed 274: ok 10493 # correct SSSR count 274: ok 10494 # ring membership passed 274: ok 10495 # correct SSSR count 274: ok 10496 # ring membership passed 274: ok 10497 # correct SSSR count 274: ok 10498 # ring membership passed 274: ok 10499 # correct SSSR count 274: ok 10500 # ring membership passed 274: ok 10501 # correct SSSR count 274: ok 10502 # ring membership passed 274: ok 10503 # correct SSSR count 274: ok 10504 # ring membership passed 274: ok 10505 # correct SSSR count 274: ok 10506 # ring membership passed 274: ok 10507 # correct SSSR count 274: ok 10508 # ring membership passed 274: ok 10509 # correct SSSR count 274: ok 10510 # ring membership passed 274: ok 10511 # correct SSSR count 274: ok 10512 # ring membership passed 274: ok 10513 # correct SSSR count 274: ok 10514 # ring membership passed 274: ok 10515 # correct SSSR count 274: ok 10516 # ring membership passed 274: ok 10517 # correct SSSR count 274: ok 10518 # ring membership passed 274: ok 10519 # correct ring bond data 274: ok 10520 # correct ring bond data 274: ok 10521 # correct ring bond data 274: ok 10522 # correct ring bond data 274: ok 10523 # correct ring bond data 274: ok 10524 # correct ring bond data 274: ok 10525 # correct ring bond data 274: ok 10526 # correct ring bond data 274: ok 10527 # correct ring bond data 274: ok 10528 # correct ring bond data 274: ok 10529 # correct ring bond data 274: ok 10530 # correct ring bond data 274: ok 10531 # correct ring bond data 274: ok 10532 # correct ring bond data 274: ok 10533 # correct ring bond data 274: ok 10534 # correct ring bond data 274: ok 10535 # correct ring bond data 274: ok 10536 # correct ring bond data 274: ok 10537 # correct ring bond data 274: ok 10538 # correct ring bond data 274: ok 10539 # correct ring bond data 274: ok 10540 # SSSR size matches reference 274: ok 10541 # correct SSSR count 274: ok 10542 # ring membership passed 274: ok 10543 # correct SSSR count 274: ok 10544 # ring membership passed 274: ok 10545 # correct SSSR count 274: ok 10546 # ring membership passed 274: ok 10547 # correct SSSR count 274: ok 10548 # ring membership passed 274: ok 10549 # correct SSSR count 274: ok 10550 # ring membership passed 274: ok 10551 # correct SSSR count 274: ok 10552 # ring membership passed 274: ok 10553 # correct SSSR count 274: ok 10554 # ring membership passed 274: ok 10555 # correct SSSR count 274: ok 10556 # ring membership passed 274: ok 10557 # correct SSSR count 274: ok 10558 # ring membership passed 274: ok 10559 # correct SSSR count 274: ok 10560 # ring membership passed 274: ok 10561 # correct SSSR count 274: ok 10562 # ring membership passed 274: ok 10563 # correct SSSR count 274: ok 10564 # ring membership passed 274: ok 10565 # correct SSSR count 274: ok 10566 # ring membership passed 274: ok 10567 # correct SSSR count 274: ok 10568 # ring membership passed 274: ok 10569 # correct SSSR count 274: ok 10570 # ring membership passed 274: ok 10571 # correct SSSR count 274: ok 10572 # ring membership passed 274: ok 10573 # correct SSSR count 274: ok 10574 # ring membership passed 274: ok 10575 # correct SSSR count 274: ok 10576 # ring membership passed 274: ok 10577 # correct SSSR count 274: ok 10578 # ring membership passed 274: ok 10579 # correct SSSR count 274: ok 10580 # ring membership passed 274: ok 10581 # correct ring bond data 274: ok 10582 # correct ring bond data 274: ok 10583 # correct ring bond data 274: ok 10584 # correct ring bond data 274: ok 10585 # correct ring bond data 274: ok 10586 # correct ring bond data 274: ok 10587 # correct ring bond data 274: ok 10588 # correct ring bond data 274: ok 10589 # correct ring bond data 274: ok 10590 # correct ring bond data 274: ok 10591 # correct ring bond data 274: ok 10592 # correct ring bond data 274: ok 10593 # correct ring bond data 274: ok 10594 # correct ring bond data 274: ok 10595 # correct ring bond data 274: ok 10596 # correct ring bond data 274: ok 10597 # correct ring bond data 274: ok 10598 # correct ring bond data 274: ok 10599 # correct ring bond data 274: ok 10600 # correct ring bond data 274: ok 10601 # correct ring bond data 274: ok 10602 # correct ring bond data 274: ok 10603 # correct ring bond data 274: ok 10604 # correct ring bond data 274: ok 10605 # correct ring bond data 274: ok 10606 # correct ring bond data 274: ok 10607 # correct ring bond data 274: ok 10608 # correct ring bond data 274: ok 10609 # SSSR size matches reference 274: ok 10610 # correct SSSR count 274: ok 10611 # ring membership passed 274: ok 10612 # correct SSSR count 274: ok 10613 # ring membership passed 274: ok 10614 # correct SSSR count 274: ok 10615 # ring membership passed 274: ok 10616 # correct SSSR count 274: ok 10617 # ring membership passed 274: ok 10618 # correct SSSR count 274: ok 10619 # ring membership passed 274: ok 10620 # correct SSSR count 274: ok 10621 # ring membership passed 274: ok 10622 # correct SSSR count 274: ok 10623 # ring membership passed 274: ok 10624 # correct SSSR count 274: ok 10625 # ring membership passed 274: ok 10626 # correct SSSR count 274: ok 10627 # ring membership passed 274: ok 10628 # correct SSSR count 274: ok 10629 # ring membership passed 274: ok 10630 # correct SSSR count 274: ok 10631 # ring membership passed 274: ok 10632 # correct SSSR count 274: ok 10633 # ring membership passed 274: ok 10634 # correct SSSR count 274: ok 10635 # ring membership passed 274: ok 10636 # correct SSSR count 274: ok 10637 # ring membership passed 274: ok 10638 # correct SSSR count 274: ok 10639 # ring membership passed 274: ok 10640 # correct SSSR count 274: ok 10641 # ring membership passed 274: ok 10642 # correct SSSR count 274: ok 10643 # ring membership passed 274: ok 10644 # correct SSSR count 274: ok 10645 # ring membership passed 274: ok 10646 # correct SSSR count 274: ok 10647 # ring membership passed 274: ok 10648 # correct SSSR count 274: ok 10649 # ring membership passed 274: ok 10650 # correct SSSR count 274: ok 10651 # ring membership passed 274: ok 10652 # correct SSSR count 274: ok 10653 # ring membership passed 274: ok 10654 # correct SSSR count 274: ok 10655 # ring membership passed 274: ok 10656 # correct SSSR count 274: ok 10657 # ring membership passed 274: ok 10658 # correct SSSR count 274: ok 10659 # ring membership passed 274: ok 10660 # correct SSSR count 274: ok 10661 # ring membership passed 274: ok 10662 # correct SSSR count 274: ok 10663 # ring membership passed 274: ok 10664 # correct ring bond data 274: ok 10665 # correct ring bond data 274: ok 10666 # correct ring bond data 274: ok 10667 # correct ring bond data 274: ok 10668 # correct ring bond data 274: ok 10669 # correct ring bond data 274: ok 10670 # correct ring bond data 274: ok 10671 # correct ring bond data 274: ok 10672 # correct ring bond data 274: ok 10673 # correct ring bond data 274: ok 10674 # correct ring bond data 274: ok 10675 # correct ring bond data 274: ok 10676 # correct ring bond data 274: ok 10677 # correct ring bond data 274: ok 10678 # correct ring bond data 274: ok 10679 # correct ring bond data 274: ok 10680 # correct ring bond data 274: ok 10681 # correct ring bond data 274: ok 10682 # correct ring bond data 274: ok 10683 # SSSR size matches reference 274: ok 10684 # correct SSSR count 274: ok 10685 # ring membership passed 274: ok 10686 # correct SSSR count 274: ok 10687 # ring membership passed 274: ok 10688 # correct SSSR count 274: ok 10689 # ring membership passed 274: ok 10690 # correct SSSR count 274: ok 10691 # ring membership passed 274: ok 10692 # correct SSSR count 274: ok 10693 # ring membership passed 274: ok 10694 # correct SSSR count 274: ok 10695 # ring membership passed 274: ok 10696 # correct SSSR count 274: ok 10697 # ring membership passed 274: ok 10698 # correct SSSR count 274: ok 10699 # ring membership passed 274: ok 10700 # correct SSSR count 274: ok 10701 # ring membership passed 274: ok 10702 # correct SSSR count 274: ok 10703 # ring membership passed 274: ok 10704 # correct SSSR count 274: ok 10705 # ring membership passed 274: ok 10706 # correct SSSR count 274: ok 10707 # ring membership passed 274: ok 10708 # correct SSSR count 274: ok 10709 # ring membership passed 274: ok 10710 # correct SSSR count 274: ok 10711 # ring membership passed 274: ok 10712 # correct SSSR count 274: ok 10713 # ring membership passed 274: ok 10714 # correct SSSR count 274: ok 10715 # ring membership passed 274: ok 10716 # correct SSSR count 274: ok 10717 # ring membership passed 274: ok 10718 # correct SSSR count 274: ok 10719 # ring membership passed 274: ok 10720 # correct ring bond data 274: ok 10721 # correct ring bond data 274: ok 10722 # correct ring bond data 274: ok 10723 # correct ring bond data 274: ok 10724 # correct ring bond data 274: ok 10725 # correct ring bond data 274: ok 10726 # correct ring bond data 274: ok 10727 # correct ring bond data 274: ok 10728 # correct ring bond data 274: ok 10729 # correct ring bond data 274: ok 10730 # correct ring bond data 274: ok 10731 # correct ring bond data 274: ok 10732 # correct ring bond data 274: ok 10733 # correct ring bond data 274: ok 10734 # correct ring bond data 274: ok 10735 # correct ring bond data 274: ok 10736 # correct ring bond data 274: ok 10737 # correct ring bond data 274: ok 10738 # correct ring bond data 274: ok 10739 # correct ring bond data 274: ok 10740 # correct ring bond data 274: ok 10741 # correct ring bond data 274: ok 10742 # correct ring bond data 274: ok 10743 # correct ring bond data 274: ok 10744 # correct ring bond data 274: ok 10745 # SSSR size matches reference 274: ok 10746 # correct SSSR count 274: ok 10747 # ring membership passed 274: ok 10748 # correct SSSR count 274: ok 10749 # ring membership passed 274: ok 10750 # correct SSSR count 274: ok 10751 # ring membership passed 274: ok 10752 # correct SSSR count 274: ok 10753 # ring membership passed 274: ok 10754 # correct SSSR count 274: ok 10755 # ring membership passed 274: ok 10756 # correct SSSR count 274: ok 10757 # ring membership passed 274: ok 10758 # correct SSSR count 274: ok 10759 # ring membership passed 274: ok 10760 # correct SSSR count 274: ok 10761 # ring membership passed 274: ok 10762 # correct SSSR count 274: ok 10763 # ring membership passed 274: ok 10764 # correct SSSR count 274: ok 10765 # ring membership passed 274: ok 10766 # correct SSSR count 274: ok 10767 # ring membership passed 274: ok 10768 # correct SSSR count 274: ok 10769 # ring membership passed 274: ok 10770 # correct SSSR count 274: ok 10771 # ring membership passed 274: ok 10772 # correct SSSR count 274: ok 10773 # ring membership passed 274: ok 10774 # correct SSSR count 274: ok 10775 # ring membership passed 274: ok 10776 # correct SSSR count 274: ok 10777 # ring membership passed 274: ok 10778 # correct SSSR count 274: ok 10779 # ring membership passed 274: ok 10780 # correct SSSR count 274: ok 10781 # ring membership passed 274: ok 10782 # correct SSSR count 274: ok 10783 # ring membership passed 274: ok 10784 # correct SSSR count 274: ok 10785 # ring membership passed 274: ok 10786 # correct SSSR count 274: ok 10787 # ring membership passed 274: ok 10788 # correct SSSR count 274: ok 10789 # ring membership passed 274: ok 10790 # correct SSSR count 274: ok 10791 # ring membership passed 274: ok 10792 # correct ring bond data 274: ok 10793 # correct ring bond data 274: ok 10794 # correct ring bond data 274: ok 10795 # correct ring bond data 274: ok 10796 # correct ring bond data 274: ok 10797 # correct ring bond data 274: ok 10798 # correct ring bond data 274: ok 10799 # correct ring bond data 274: ok 10800 # correct ring bond data 274: ok 10801 # correct ring bond data 274: ok 10802 # correct ring bond data 274: ok 10803 # correct ring bond data 274: ok 10804 # correct ring bond data 274: ok 10805 # correct ring bond data 274: ok 10806 # correct ring bond data 274: ok 10807 # correct ring bond data 274: ok 10808 # correct ring bond data 274: ok 10809 # correct ring bond data 274: ok 10810 # correct ring bond data 274: ok 10811 # correct ring bond data 274: ok 10812 # correct ring bond data 274: ok 10813 # correct ring bond data 274: ok 10814 # correct ring bond data 274: ok 10815 # correct ring bond data 274: ok 10816 # SSSR size matches reference 274: ok 10817 # correct SSSR count 274: ok 10818 # ring membership passed 274: ok 10819 # correct SSSR count 274: ok 10820 # ring membership passed 274: ok 10821 # correct SSSR count 274: ok 10822 # ring membership passed 274: ok 10823 # correct SSSR count 274: ok 10824 # ring membership passed 274: ok 10825 # correct SSSR count 274: ok 10826 # ring membership passed 274: ok 10827 # correct SSSR count 274: ok 10828 # ring membership passed 274: ok 10829 # correct SSSR count 274: ok 10830 # ring membership passed 274: ok 10831 # correct SSSR count 274: ok 10832 # ring membership passed 274: ok 10833 # correct SSSR count 274: ok 10834 # ring membership passed 274: ok 10835 # correct SSSR count 274: ok 10836 # ring membership passed 274: ok 10837 # correct SSSR count 274: ok 10838 # ring membership passed 274: ok 10839 # correct SSSR count 274: ok 10840 # ring membership passed 274: ok 10841 # correct SSSR count 274: ok 10842 # ring membership passed 274: ok 10843 # correct SSSR count 274: ok 10844 # ring membership passed 274: ok 10845 # correct SSSR count 274: ok 10846 # ring membership passed 274: ok 10847 # correct SSSR count 274: ok 10848 # ring membership passed 274: ok 10849 # correct SSSR count 274: ok 10850 # ring membership passed 274: ok 10851 # correct SSSR count 274: ok 10852 # ring membership passed 274: ok 10853 # correct SSSR count 274: ok 10854 # ring membership passed 274: ok 10855 # correct SSSR count 274: ok 10856 # ring membership passed 274: ok 10857 # correct SSSR count 274: ok 10858 # ring membership passed 274: ok 10859 # correct SSSR count 274: ok 10860 # ring membership passed 274: ok 10861 # correct ring bond data 274: ok 10862 # correct ring bond data 274: ok 10863 # correct ring bond data 274: ok 10864 # correct ring bond data 274: ok 10865 # correct ring bond data 274: ok 10866 # correct ring bond data 274: ok 10867 # correct ring bond data 274: ok 10868 # correct ring bond data 274: ok 10869 # correct ring bond data 274: ok 10870 # correct ring bond data 274: ok 10871 # correct ring bond data 274: ok 10872 # correct ring bond data 274: ok 10873 # correct ring bond data 274: ok 10874 # correct ring bond data 274: ok 10875 # correct ring bond data 274: ok 10876 # correct ring bond data 274: ok 10877 # correct ring bond data 274: ok 10878 # correct ring bond data 274: ok 10879 # correct ring bond data 274: ok 10880 # SSSR size matches reference 274: ok 10881 # correct SSSR count 274: ok 10882 # ring membership passed 274: ok 10883 # correct SSSR count 274: ok 10884 # ring membership passed 274: ok 10885 # correct SSSR count 274: ok 10886 # ring membership passed 274: ok 10887 # correct SSSR count 274: ok 10888 # ring membership passed 274: ok 10889 # correct SSSR count 274: ok 10890 # ring membership passed 274: ok 10891 # correct SSSR count 274: ok 10892 # ring membership passed 274: ok 10893 # correct SSSR count 274: ok 10894 # ring membership passed 274: ok 10895 # correct SSSR count 274: ok 10896 # ring membership passed 274: ok 10897 # correct SSSR count 274: ok 10898 # ring membership passed 274: ok 10899 # correct SSSR count 274: ok 10900 # ring membership passed 274: ok 10901 # correct SSSR count 274: ok 10902 # ring membership passed 274: ok 10903 # correct SSSR count 274: ok 10904 # ring membership passed 274: ok 10905 # correct SSSR count 274: ok 10906 # ring membership passed 274: ok 10907 # correct SSSR count 274: ok 10908 # ring membership passed 274: ok 10909 # correct SSSR count 274: ok 10910 # ring membership passed 274: ok 10911 # correct SSSR count 274: ok 10912 # ring membership passed 274: ok 10913 # correct SSSR count 274: ok 10914 # ring membership passed 274: ok 10915 # correct SSSR count 274: ok 10916 # ring membership passed 274: ok 10917 # correct SSSR count 274: ok 10918 # ring membership passed 274: ok 10919 # correct ring bond data 274: ok 10920 # correct ring bond data 274: ok 10921 # correct ring bond data 274: ok 10922 # correct ring bond data 274: ok 10923 # correct ring bond data 274: ok 10924 # correct ring bond data 274: ok 10925 # correct ring bond data 274: ok 10926 # correct ring bond data 274: ok 10927 # correct ring bond data 274: ok 10928 # correct ring bond data 274: ok 10929 # correct ring bond data 274: ok 10930 # correct ring bond data 274: ok 10931 # correct ring bond data 274: ok 10932 # correct ring bond data 274: ok 10933 # correct ring bond data 274: ok 10934 # correct ring bond data 274: ok 10935 # SSSR size matches reference 274: ok 10936 # correct SSSR count 274: ok 10937 # ring membership passed 274: ok 10938 # correct SSSR count 274: ok 10939 # ring membership passed 274: ok 10940 # correct SSSR count 274: ok 10941 # ring membership passed 274: ok 10942 # correct SSSR count 274: ok 10943 # ring membership passed 274: ok 10944 # correct SSSR count 274: ok 10945 # ring membership passed 274: ok 10946 # correct SSSR count 274: ok 10947 # ring membership passed 274: ok 10948 # correct SSSR count 274: ok 10949 # ring membership passed 274: ok 10950 # correct SSSR count 274: ok 10951 # ring membership passed 274: ok 10952 # correct SSSR count 274: ok 10953 # ring membership passed 274: ok 10954 # correct SSSR count 274: ok 10955 # ring membership passed 274: ok 10956 # correct SSSR count 274: ok 10957 # ring membership passed 274: ok 10958 # correct SSSR count 274: ok 10959 # ring membership passed 274: ok 10960 # correct SSSR count 274: ok 10961 # ring membership passed 274: ok 10962 # correct SSSR count 274: ok 10963 # ring membership passed 274: ok 10964 # correct SSSR count 274: ok 10965 # ring membership passed 274: ok 10966 # correct ring bond data 274: ok 10967 # correct ring bond data 274: ok 10968 # correct ring bond data 274: ok 10969 # correct ring bond data 274: ok 10970 # correct ring bond data 274: ok 10971 # correct ring bond data 274: ok 10972 # correct ring bond data 274: ok 10973 # correct ring bond data 274: ok 10974 # correct ring bond data 274: ok 10975 # correct ring bond data 274: ok 10976 # correct ring bond data 274: ok 10977 # correct ring bond data 274: ok 10978 # correct ring bond data 274: ok 10979 # correct ring bond data 274: ok 10980 # correct ring bond data 274: ok 10981 # SSSR size matches reference 274: ok 10982 # correct SSSR count 274: ok 10983 # ring membership passed 274: ok 10984 # correct SSSR count 274: ok 10985 # ring membership passed 274: ok 10986 # correct SSSR count 274: ok 10987 # ring membership passed 274: ok 10988 # correct SSSR count 274: ok 10989 # ring membership passed 274: ok 10990 # correct SSSR count 274: ok 10991 # ring membership passed 274: ok 10992 # correct SSSR count 274: ok 10993 # ring membership passed 274: ok 10994 # correct SSSR count 274: ok 10995 # ring membership passed 274: ok 10996 # correct SSSR count 274: ok 10997 # ring membership passed 274: ok 10998 # correct SSSR count 274: ok 10999 # ring membership passed 274: ok 11000 # correct SSSR count 274: ok 11001 # ring membership passed 274: ok 11002 # correct SSSR count 274: ok 11003 # ring membership passed 274: ok 11004 # correct SSSR count 274: ok 11005 # ring membership passed 274: ok 11006 # correct SSSR count 274: ok 11007 # ring membership passed 274: ok 11008 # correct SSSR count 274: ok 11009 # ring membership passed 274: ok 11010 # correct ring bond data 274: ok 11011 # correct ring bond data 274: ok 11012 # correct ring bond data 274: ok 11013 # correct ring bond data 274: ok 11014 # correct ring bond data 274: ok 11015 # correct ring bond data 274: ok 11016 # correct ring bond data 274: ok 11017 # correct ring bond data 274: ok 11018 # correct ring bond data 274: ok 11019 # correct ring bond data 274: ok 11020 # correct ring bond data 274: ok 11021 # correct ring bond data 274: ok 11022 # correct ring bond data 274: ok 11023 # correct ring bond data 274: ok 11024 # correct ring bond data 274: ok 11025 # correct ring bond data 274: ok 11026 # SSSR size matches reference 274: ok 11027 # correct SSSR count 274: ok 11028 # ring membership passed 274: ok 11029 # correct SSSR count 274: ok 11030 # ring membership passed 274: ok 11031 # correct SSSR count 274: ok 11032 # ring membership passed 274: ok 11033 # correct SSSR count 274: ok 11034 # ring membership passed 274: ok 11035 # correct SSSR count 274: ok 11036 # ring membership passed 274: ok 11037 # correct SSSR count 274: ok 11038 # ring membership passed 274: ok 11039 # correct SSSR count 274: ok 11040 # ring membership passed 274: ok 11041 # correct SSSR count 274: ok 11042 # ring membership passed 274: ok 11043 # correct SSSR count 274: ok 11044 # ring membership passed 274: ok 11045 # correct SSSR count 274: ok 11046 # ring membership passed 274: ok 11047 # correct SSSR count 274: ok 11048 # ring membership passed 274: ok 11049 # correct SSSR count 274: ok 11050 # ring membership passed 274: ok 11051 # correct SSSR count 274: ok 11052 # ring membership passed 274: ok 11053 # correct SSSR count 274: ok 11054 # ring membership passed 274: ok 11055 # correct SSSR count 274: ok 11056 # ring membership passed 274: ok 11057 # correct ring bond data 274: ok 11058 # correct ring bond data 274: ok 11059 # correct ring bond data 274: ok 11060 # correct ring bond data 274: ok 11061 # correct ring bond data 274: ok 11062 # correct ring bond data 274: ok 11063 # correct ring bond data 274: ok 11064 # correct ring bond data 274: ok 11065 # correct ring bond data 274: ok 11066 # correct ring bond data 274: ok 11067 # correct ring bond data 274: ok 11068 # correct ring bond data 274: ok 11069 # correct ring bond data 274: ok 11070 # correct ring bond data 274: ok 11071 # correct ring bond data 274: ok 11072 # correct ring bond data 274: ok 11073 # correct ring bond data 274: ok 11074 # correct ring bond data 274: ok 11075 # SSSR size matches reference 274: ok 11076 # correct SSSR count 274: ok 11077 # ring membership passed 274: ok 11078 # correct SSSR count 274: ok 11079 # ring membership passed 274: ok 11080 # correct SSSR count 274: ok 11081 # ring membership passed 274: ok 11082 # correct SSSR count 274: ok 11083 # ring membership passed 274: ok 11084 # correct SSSR count 274: ok 11085 # ring membership passed 274: ok 11086 # correct SSSR count 274: ok 11087 # ring membership passed 274: ok 11088 # correct SSSR count 274: ok 11089 # ring membership passed 274: ok 11090 # correct SSSR count 274: ok 11091 # ring membership passed 274: ok 11092 # correct SSSR count 274: ok 11093 # ring membership passed 274: ok 11094 # correct SSSR count 274: ok 11095 # ring membership passed 274: ok 11096 # correct SSSR count 274: ok 11097 # ring membership passed 274: ok 11098 # correct SSSR count 274: ok 11099 # ring membership passed 274: ok 11100 # correct SSSR count 274: ok 11101 # ring membership passed 274: ok 11102 # correct SSSR count 274: ok 11103 # ring membership passed 274: ok 11104 # correct SSSR count 274: ok 11105 # ring membership passed 274: ok 11106 # correct SSSR count 274: ok 11107 # ring membership passed 274: ok 11108 # correct SSSR count 274: ok 11109 # ring membership passed 274: ok 11110 # correct ring bond data 274: ok 11111 # correct ring bond data 274: ok 11112 # correct ring bond data 274: ok 11113 # correct ring bond data 274: ok 11114 # correct ring bond data 274: ok 11115 # correct ring bond data 274: ok 11116 # correct ring bond data 274: ok 11117 # correct ring bond data 274: ok 11118 # correct ring bond data 274: ok 11119 # correct ring bond data 274: ok 11120 # correct ring bond data 274: ok 11121 # correct ring bond data 274: ok 11122 # correct ring bond data 274: ok 11123 # correct ring bond data 274: ok 11124 # correct ring bond data 274: ok 11125 # correct ring bond data 274: ok 11126 # correct ring bond data 274: ok 11127 # correct ring bond data 274: ok 11128 # correct ring bond data 274: ok 11129 # correct ring bond data 274: ok 11130 # correct ring bond data 274: ok 11131 # correct ring bond data 274: ok 11132 # correct ring bond data 274: ok 11133 # correct ring bond data 274: ok 11134 # correct ring bond data 274: ok 11135 # correct ring bond data 274: ok 11136 # correct ring bond data 274: ok 11137 # correct ring bond data 274: ok 11138 # correct ring bond data 274: ok 11139 # correct ring bond data 274: ok 11140 # correct ring bond data 274: ok 11141 # correct ring bond data 274: ok 11142 # correct ring bond data 274: ok 11143 # correct ring bond data 274: ok 11144 # correct ring bond data 274: ok 11145 # correct ring bond data 274: ok 11146 # correct ring bond data 274: ok 11147 # correct ring bond data 274: ok 11148 # SSSR size matches reference 274: ok 11149 # correct SSSR count 274: ok 11150 # ring membership passed 274: ok 11151 # correct SSSR count 274: ok 11152 # ring membership passed 274: ok 11153 # correct SSSR count 274: ok 11154 # ring membership passed 274: ok 11155 # correct SSSR count 274: ok 11156 # ring membership passed 274: ok 11157 # correct SSSR count 274: ok 11158 # ring membership passed 274: ok 11159 # correct SSSR count 274: ok 11160 # ring membership passed 274: ok 11161 # correct SSSR count 274: ok 11162 # ring membership passed 274: ok 11163 # correct SSSR count 274: ok 11164 # ring membership passed 274: ok 11165 # correct SSSR count 274: ok 11166 # ring membership passed 274: ok 11167 # correct SSSR count 274: ok 11168 # ring membership passed 274: ok 11169 # correct SSSR count 274: ok 11170 # ring membership passed 274: ok 11171 # correct SSSR count 274: ok 11172 # ring membership passed 274: ok 11173 # correct SSSR count 274: ok 11174 # ring membership passed 274: ok 11175 # correct SSSR count 274: ok 11176 # ring membership passed 274: ok 11177 # correct SSSR count 274: ok 11178 # ring membership passed 274: ok 11179 # correct SSSR count 274: ok 11180 # ring membership passed 274: ok 11181 # correct SSSR count 274: ok 11182 # ring membership passed 274: ok 11183 # correct SSSR count 274: ok 11184 # ring membership passed 274: ok 11185 # correct SSSR count 274: ok 11186 # ring membership passed 274: ok 11187 # correct SSSR count 274: ok 11188 # ring membership passed 274: ok 11189 # correct SSSR count 274: ok 11190 # ring membership passed 274: ok 11191 # correct SSSR count 274: ok 11192 # ring membership passed 274: ok 11193 # correct SSSR count 274: ok 11194 # ring membership passed 274: ok 11195 # correct SSSR count 274: ok 11196 # ring membership passed 274: ok 11197 # correct SSSR count 274: ok 11198 # ring membership passed 274: ok 11199 # correct SSSR count 274: ok 11200 # ring membership passed 274: ok 11201 # correct SSSR count 274: ok 11202 # ring membership passed 274: ok 11203 # correct SSSR count 274: ok 11204 # ring membership passed 274: ok 11205 # correct SSSR count 274: ok 11206 # ring membership passed 274: ok 11207 # correct SSSR count 274: ok 11208 # ring membership passed 274: ok 11209 # correct SSSR count 274: ok 11210 # ring membership passed 274: ok 11211 # correct SSSR count 274: ok 11212 # ring membership passed 274: ok 11213 # correct SSSR count 274: ok 11214 # ring membership passed 274: ok 11215 # correct SSSR count 274: ok 11216 # ring membership passed 274: ok 11217 # correct SSSR count 274: ok 11218 # ring membership passed 274: ok 11219 # correct SSSR count 274: ok 11220 # ring membership passed 274: ok 11221 # correct ring bond data 274: ok 11222 # correct ring bond data 274: ok 11223 # correct ring bond data 274: ok 11224 # correct ring bond data 274: ok 11225 # correct ring bond data 274: ok 11226 # correct ring bond data 274: ok 11227 # correct ring bond data 274: ok 11228 # correct ring bond data 274: ok 11229 # correct ring bond data 274: ok 11230 # correct ring bond data 274: ok 11231 # correct ring bond data 274: ok 11232 # correct ring bond data 274: ok 11233 # correct ring bond data 274: ok 11234 # correct ring bond data 274: ok 11235 # correct ring bond data 274: ok 11236 # SSSR size matches reference 274: ok 11237 # correct SSSR count 274: ok 11238 # ring membership passed 274: ok 11239 # correct SSSR count 274: ok 11240 # ring membership passed 274: ok 11241 # correct SSSR count 274: ok 11242 # ring membership passed 274: ok 11243 # correct SSSR count 274: ok 11244 # ring membership passed 274: ok 11245 # correct SSSR count 274: ok 11246 # ring membership passed 274: ok 11247 # correct SSSR count 274: ok 11248 # ring membership passed 274: ok 11249 # correct SSSR count 274: ok 11250 # ring membership passed 274: ok 11251 # correct SSSR count 274: ok 11252 # ring membership passed 274: ok 11253 # correct SSSR count 274: ok 11254 # ring membership passed 274: ok 11255 # correct SSSR count 274: ok 11256 # ring membership passed 274: ok 11257 # correct SSSR count 274: ok 11258 # ring membership passed 274: ok 11259 # correct SSSR count 274: ok 11260 # ring membership passed 274: ok 11261 # correct SSSR count 274: ok 11262 # ring membership passed 274: ok 11263 # correct SSSR count 274: ok 11264 # ring membership passed 274: ok 11265 # correct ring bond data 274: ok 11266 # correct ring bond data 274: ok 11267 # correct ring bond data 274: ok 11268 # correct ring bond data 274: ok 11269 # correct ring bond data 274: ok 11270 # correct ring bond data 274: ok 11271 # correct ring bond data 274: ok 11272 # correct ring bond data 274: ok 11273 # correct ring bond data 274: ok 11274 # correct ring bond data 274: ok 11275 # correct ring bond data 274: ok 11276 # correct ring bond data 274: ok 11277 # correct ring bond data 274: ok 11278 # correct ring bond data 274: ok 11279 # correct ring bond data 274: ok 11280 # correct ring bond data 274: ok 11281 # correct ring bond data 274: ok 11282 # correct ring bond data 274: ok 11283 # correct ring bond data 274: ok 11284 # correct ring bond data 274: ok 11285 # correct ring bond data 274: ok 11286 # correct ring bond data 274: ok 11287 # correct ring bond data 274: ok 11288 # correct ring bond data 274: ok 11289 # correct ring bond data 274: ok 11290 # SSSR size matches reference 274: ok 11291 # correct SSSR count 274: ok 11292 # ring membership passed 274: ok 11293 # correct SSSR count 274: ok 11294 # ring membership passed 274: ok 11295 # correct SSSR count 274: ok 11296 # ring membership passed 274: ok 11297 # correct SSSR count 274: ok 11298 # ring membership passed 274: ok 11299 # correct SSSR count 274: ok 11300 # ring membership passed 274: ok 11301 # correct SSSR count 274: ok 11302 # ring membership passed 274: ok 11303 # correct SSSR count 274: ok 11304 # ring membership passed 274: ok 11305 # correct SSSR count 274: ok 11306 # ring membership passed 274: ok 11307 # correct SSSR count 274: ok 11308 # ring membership passed 274: ok 11309 # correct SSSR count 274: ok 11310 # ring membership passed 274: ok 11311 # correct SSSR count 274: ok 11312 # ring membership passed 274: ok 11313 # correct SSSR count 274: ok 11314 # ring membership passed 274: ok 11315 # correct SSSR count 274: ok 11316 # ring membership passed 274: ok 11317 # correct SSSR count 274: ok 11318 # ring membership passed 274: ok 11319 # correct SSSR count 274: ok 11320 # ring membership passed 274: ok 11321 # correct SSSR count 274: ok 11322 # ring membership passed 274: ok 11323 # correct SSSR count 274: ok 11324 # ring membership passed 274: ok 11325 # correct SSSR count 274: ok 11326 # ring membership passed 274: ok 11327 # correct SSSR count 274: ok 11328 # ring membership passed 274: ok 11329 # correct SSSR count 274: ok 11330 # ring membership passed 274: ok 11331 # correct SSSR count 274: ok 11332 # ring membership passed 274: ok 11333 # correct SSSR count 274: ok 11334 # ring membership passed 274: ok 11335 # correct SSSR count 274: ok 11336 # ring membership passed 274: ok 11337 # correct ring bond data 274: ok 11338 # correct ring bond data 274: ok 11339 # correct ring bond data 274: ok 11340 # correct ring bond data 274: ok 11341 # correct ring bond data 274: ok 11342 # correct ring bond data 274: ok 11343 # correct ring bond data 274: ok 11344 # correct ring bond data 274: ok 11345 # correct ring bond data 274: ok 11346 # correct ring bond data 274: ok 11347 # correct ring bond data 274: ok 11348 # correct ring bond data 274: ok 11349 # correct ring bond data 274: ok 11350 # correct ring bond data 274: ok 11351 # correct ring bond data 274: ok 11352 # correct ring bond data 274: ok 11353 # correct ring bond data 274: ok 11354 # correct ring bond data 274: ok 11355 # correct ring bond data 274: ok 11356 # correct ring bond data 274: ok 11357 # SSSR size matches reference 274: ok 11358 # correct SSSR count 274: ok 11359 # ring membership passed 274: ok 11360 # correct SSSR count 274: ok 11361 # ring membership passed 274: ok 11362 # correct SSSR count 274: ok 11363 # ring membership passed 274: ok 11364 # correct SSSR count 274: ok 11365 # ring membership passed 274: ok 11366 # correct SSSR count 274: ok 11367 # ring membership passed 274: ok 11368 # correct SSSR count 274: ok 11369 # ring membership passed 274: ok 11370 # correct SSSR count 274: ok 11371 # ring membership passed 274: ok 11372 # correct SSSR count 274: ok 11373 # ring membership passed 274: ok 11374 # correct SSSR count 274: ok 11375 # ring membership passed 274: ok 11376 # correct SSSR count 274: ok 11377 # ring membership passed 274: ok 11378 # correct SSSR count 274: ok 11379 # ring membership passed 274: ok 11380 # correct SSSR count 274: ok 11381 # ring membership passed 274: ok 11382 # correct SSSR count 274: ok 11383 # ring membership passed 274: ok 11384 # correct SSSR count 274: ok 11385 # ring membership passed 274: ok 11386 # correct SSSR count 274: ok 11387 # ring membership passed 274: ok 11388 # correct SSSR count 274: ok 11389 # ring membership passed 274: ok 11390 # correct SSSR count 274: ok 11391 # ring membership passed 274: ok 11392 # correct SSSR count 274: ok 11393 # ring membership passed 274: ok 11394 # correct ring bond data 274: ok 11395 # correct ring bond data 274: ok 11396 # correct ring bond data 274: ok 11397 # correct ring bond data 274: ok 11398 # correct ring bond data 274: ok 11399 # correct ring bond data 274: ok 11400 # correct ring bond data 274: ok 11401 # correct ring bond data 274: ok 11402 # correct ring bond data 274: ok 11403 # correct ring bond data 274: ok 11404 # correct ring bond data 274: ok 11405 # correct ring bond data 274: ok 11406 # correct ring bond data 274: ok 11407 # correct ring bond data 274: ok 11408 # correct ring bond data 274: ok 11409 # correct ring bond data 274: ok 11410 # correct ring bond data 274: ok 11411 # correct ring bond data 274: ok 11412 # correct ring bond data 274: ok 11413 # correct ring bond data 274: ok 11414 # SSSR size matches reference 274: ok 11415 # correct SSSR count 274: ok 11416 # ring membership passed 274: ok 11417 # correct SSSR count 274: ok 11418 # ring membership passed 274: ok 11419 # correct SSSR count 274: ok 11420 # ring membership passed 274: ok 11421 # correct SSSR count 274: ok 11422 # ring membership passed 274: ok 11423 # correct SSSR count 274: ok 11424 # ring membership passed 274: ok 11425 # correct SSSR count 274: ok 11426 # ring membership passed 274: ok 11427 # correct SSSR count 274: ok 11428 # ring membership passed 274: ok 11429 # correct SSSR count 274: ok 11430 # ring membership passed 274: ok 11431 # correct SSSR count 274: ok 11432 # ring membership passed 274: ok 11433 # correct SSSR count 274: ok 11434 # ring membership passed 274: ok 11435 # correct SSSR count 274: ok 11436 # ring membership passed 274: ok 11437 # correct SSSR count 274: ok 11438 # ring membership passed 274: ok 11439 # correct SSSR count 274: ok 11440 # ring membership passed 274: ok 11441 # correct SSSR count 274: ok 11442 # ring membership passed 274: ok 11443 # correct SSSR count 274: ok 11444 # ring membership passed 274: ok 11445 # correct SSSR count 274: ok 11446 # ring membership passed 274: ok 11447 # correct SSSR count 274: ok 11448 # ring membership passed 274: ok 11449 # correct SSSR count 274: ok 11450 # ring membership passed 274: ok 11451 # correct ring bond data 274: ok 11452 # correct ring bond data 274: ok 11453 # correct ring bond data 274: ok 11454 # correct ring bond data 274: ok 11455 # correct ring bond data 274: ok 11456 # correct ring bond data 274: ok 11457 # correct ring bond data 274: ok 11458 # correct ring bond data 274: ok 11459 # correct ring bond data 274: ok 11460 # correct ring bond data 274: ok 11461 # correct ring bond data 274: ok 11462 # correct ring bond data 274: ok 11463 # correct ring bond data 274: ok 11464 # correct ring bond data 274: ok 11465 # correct ring bond data 274: ok 11466 # correct ring bond data 274: ok 11467 # correct ring bond data 274: ok 11468 # SSSR size matches reference 274: ok 11469 # correct SSSR count 274: ok 11470 # ring membership passed 274: ok 11471 # correct SSSR count 274: ok 11472 # ring membership passed 274: ok 11473 # correct SSSR count 274: ok 11474 # ring membership passed 274: ok 11475 # correct SSSR count 274: ok 11476 # ring membership passed 274: ok 11477 # correct SSSR count 274: ok 11478 # ring membership passed 274: ok 11479 # correct SSSR count 274: ok 11480 # ring membership passed 274: ok 11481 # correct SSSR count 274: ok 11482 # ring membership passed 274: ok 11483 # correct SSSR count 274: ok 11484 # ring membership passed 274: ok 11485 # correct SSSR count 274: ok 11486 # ring membership passed 274: ok 11487 # correct SSSR count 274: ok 11488 # ring membership passed 274: ok 11489 # correct SSSR count 274: ok 11490 # ring membership passed 274: ok 11491 # correct SSSR count 274: ok 11492 # ring membership passed 274: ok 11493 # correct SSSR count 274: ok 11494 # ring membership passed 274: ok 11495 # correct SSSR count 274: ok 11496 # ring membership passed 274: ok 11497 # correct SSSR count 274: ok 11498 # ring membership passed 274: ok 11499 # correct SSSR count 274: ok 11500 # ring membership passed 274: ok 11501 # correct SSSR count 274: ok 11502 # ring membership passed 274: ok 11503 # correct ring bond data 274: ok 11504 # correct ring bond data 274: ok 11505 # correct ring bond data 274: ok 11506 # correct ring bond data 274: ok 11507 # correct ring bond data 274: ok 11508 # correct ring bond data 274: ok 11509 # correct ring bond data 274: ok 11510 # correct ring bond data 274: ok 11511 # correct ring bond data 274: ok 11512 # correct ring bond data 274: ok 11513 # correct ring bond data 274: ok 11514 # correct ring bond data 274: ok 11515 # correct ring bond data 274: ok 11516 # correct ring bond data 274: ok 11517 # correct ring bond data 274: ok 11518 # correct ring bond data 274: ok 11519 # correct ring bond data 274: ok 11520 # correct ring bond data 274: ok 11521 # correct ring bond data 274: ok 11522 # correct ring bond data 274: ok 11523 # correct ring bond data 274: ok 11524 # correct ring bond data 274: ok 11525 # correct ring bond data 274: ok 11526 # correct ring bond data 274: ok 11527 # correct ring bond data 274: ok 11528 # correct ring bond data 274: ok 11529 # correct ring bond data 274: ok 11530 # correct ring bond data 274: ok 11531 # correct ring bond data 274: ok 11532 # correct ring bond data 274: ok 11533 # correct ring bond data 274: ok 11534 # SSSR size matches reference 274: ok 11535 # correct SSSR count 274: ok 11536 # ring membership passed 274: ok 11537 # correct SSSR count 274: ok 11538 # ring membership passed 274: ok 11539 # correct SSSR count 274: ok 11540 # ring membership passed 274: ok 11541 # correct SSSR count 274: ok 11542 # ring membership passed 274: ok 11543 # correct SSSR count 274: ok 11544 # ring membership passed 274: ok 11545 # correct SSSR count 274: ok 11546 # ring membership passed 274: ok 11547 # correct SSSR count 274: ok 11548 # ring membership passed 274: ok 11549 # correct SSSR count 274: ok 11550 # ring membership passed 274: ok 11551 # correct SSSR count 274: ok 11552 # ring membership passed 274: ok 11553 # correct SSSR count 274: ok 11554 # ring membership passed 274: ok 11555 # correct SSSR count 274: ok 11556 # ring membership passed 274: ok 11557 # correct SSSR count 274: ok 11558 # ring membership passed 274: ok 11559 # correct SSSR count 274: ok 11560 # ring membership passed 274: ok 11561 # correct SSSR count 274: ok 11562 # ring membership passed 274: ok 11563 # correct SSSR count 274: ok 11564 # ring membership passed 274: ok 11565 # correct SSSR count 274: ok 11566 # ring membership passed 274: ok 11567 # correct SSSR count 274: ok 11568 # ring membership passed 274: ok 11569 # correct SSSR count 274: ok 11570 # ring membership passed 274: ok 11571 # correct SSSR count 274: ok 11572 # ring membership passed 274: ok 11573 # correct SSSR count 274: ok 11574 # ring membership passed 274: ok 11575 # correct SSSR count 274: ok 11576 # ring membership passed 274: ok 11577 # correct SSSR count 274: ok 11578 # ring membership passed 274: ok 11579 # correct SSSR count 274: ok 11580 # ring membership passed 274: ok 11581 # correct SSSR count 274: ok 11582 # ring membership passed 274: ok 11583 # correct SSSR count 274: ok 11584 # ring membership passed 274: ok 11585 # correct SSSR count 274: ok 11586 # ring membership passed 274: ok 11587 # correct SSSR count 274: ok 11588 # ring membership passed 274: ok 11589 # correct SSSR count 274: ok 11590 # ring membership passed 274: ok 11591 # correct SSSR count 274: ok 11592 # ring membership passed 274: ok 11593 # correct ring bond data 274: ok 11594 # correct ring bond data 274: ok 11595 # correct ring bond data 274: ok 11596 # correct ring bond data 274: ok 11597 # correct ring bond data 274: ok 11598 # correct ring bond data 274: ok 11599 # correct ring bond data 274: ok 11600 # correct ring bond data 274: ok 11601 # correct ring bond data 274: ok 11602 # correct ring bond data 274: ok 11603 # correct ring bond data 274: ok 11604 # correct ring bond data 274: ok 11605 # correct ring bond data 274: ok 11606 # correct ring bond data 274: ok 11607 # correct ring bond data 274: ok 11608 # correct ring bond data 274: ok 11609 # correct ring bond data 274: ok 11610 # correct ring bond data 274: ok 11611 # correct ring bond data 274: ok 11612 # SSSR size matches reference 274: ok 11613 # correct SSSR count 274: ok 11614 # ring membership passed 274: ok 11615 # correct SSSR count 274: ok 11616 # ring membership passed 274: ok 11617 # correct SSSR count 274: ok 11618 # ring membership passed 274: ok 11619 # correct SSSR count 274: ok 11620 # ring membership passed 274: ok 11621 # correct SSSR count 274: ok 11622 # ring membership passed 274: ok 11623 # correct SSSR count 274: ok 11624 # ring membership passed 274: ok 11625 # correct SSSR count 274: ok 11626 # ring membership passed 274: ok 11627 # correct SSSR count 274: ok 11628 # ring membership passed 274: ok 11629 # correct SSSR count 274: ok 11630 # ring membership passed 274: ok 11631 # correct SSSR count 274: ok 11632 # ring membership passed 274: ok 11633 # correct SSSR count 274: ok 11634 # ring membership passed 274: ok 11635 # correct SSSR count 274: ok 11636 # ring membership passed 274: ok 11637 # correct SSSR count 274: ok 11638 # ring membership passed 274: ok 11639 # correct SSSR count 274: ok 11640 # ring membership passed 274: ok 11641 # correct SSSR count 274: ok 11642 # ring membership passed 274: ok 11643 # correct SSSR count 274: ok 11644 # ring membership passed 274: ok 11645 # correct SSSR count 274: ok 11646 # ring membership passed 274: ok 11647 # correct SSSR count 274: ok 11648 # ring membership passed 274: ok 11649 # correct ring bond data 274: ok 11650 # correct ring bond data 274: ok 11651 # correct ring bond data 274: ok 11652 # correct ring bond data 274: ok 11653 # correct ring bond data 274: ok 11654 # correct ring bond data 274: ok 11655 # correct ring bond data 274: ok 11656 # correct ring bond data 274: ok 11657 # correct ring bond data 274: ok 11658 # correct ring bond data 274: ok 11659 # correct ring bond data 274: ok 11660 # correct ring bond data 274: ok 11661 # correct ring bond data 274: ok 11662 # correct ring bond data 274: ok 11663 # correct ring bond data 274: ok 11664 # correct ring bond data 274: ok 11665 # correct ring bond data 274: ok 11666 # correct ring bond data 274: ok 11667 # correct ring bond data 274: ok 11668 # correct ring bond data 274: ok 11669 # SSSR size matches reference 274: ok 11670 # correct SSSR count 274: ok 11671 # ring membership passed 274: ok 11672 # correct SSSR count 274: ok 11673 # ring membership passed 274: ok 11674 # correct SSSR count 274: ok 11675 # ring membership passed 274: ok 11676 # correct SSSR count 274: ok 11677 # ring membership passed 274: ok 11678 # correct SSSR count 274: ok 11679 # ring membership passed 274: ok 11680 # correct SSSR count 274: ok 11681 # ring membership passed 274: ok 11682 # correct SSSR count 274: ok 11683 # ring membership passed 274: ok 11684 # correct SSSR count 274: ok 11685 # ring membership passed 274: ok 11686 # correct SSSR count 274: ok 11687 # ring membership passed 274: ok 11688 # correct SSSR count 274: ok 11689 # ring membership passed 274: ok 11690 # correct SSSR count 274: ok 11691 # ring membership passed 274: ok 11692 # correct SSSR count 274: ok 11693 # ring membership passed 274: ok 11694 # correct SSSR count 274: ok 11695 # ring membership passed 274: ok 11696 # correct SSSR count 274: ok 11697 # ring membership passed 274: ok 11698 # correct SSSR count 274: ok 11699 # ring membership passed 274: ok 11700 # correct SSSR count 274: ok 11701 # ring membership passed 274: ok 11702 # correct SSSR count 274: ok 11703 # ring membership passed 274: ok 11704 # correct SSSR count 274: ok 11705 # ring membership passed 274: ok 11706 # correct SSSR count 274: ok 11707 # ring membership passed 274: ok 11708 # correct ring bond data 274: ok 11709 # correct ring bond data 274: ok 11710 # correct ring bond data 274: ok 11711 # correct ring bond data 274: ok 11712 # correct ring bond data 274: ok 11713 # correct ring bond data 274: ok 11714 # correct ring bond data 274: ok 11715 # correct ring bond data 274: ok 11716 # correct ring bond data 274: ok 11717 # correct ring bond data 274: ok 11718 # correct ring bond data 274: ok 11719 # correct ring bond data 274: ok 11720 # correct ring bond data 274: ok 11721 # correct ring bond data 274: ok 11722 # correct ring bond data 274: ok 11723 # correct ring bond data 274: ok 11724 # correct ring bond data 274: ok 11725 # correct ring bond data 274: ok 11726 # correct ring bond data 274: ok 11727 # correct ring bond data 274: ok 11728 # correct ring bond data 274: ok 11729 # SSSR size matches reference 274: ok 11730 # correct SSSR count 274: ok 11731 # ring membership passed 274: ok 11732 # correct SSSR count 274: ok 11733 # ring membership passed 274: ok 11734 # correct SSSR count 274: ok 11735 # ring membership passed 274: ok 11736 # correct SSSR count 274: ok 11737 # ring membership passed 274: ok 11738 # correct SSSR count 274: ok 11739 # ring membership passed 274: ok 11740 # correct SSSR count 274: ok 11741 # ring membership passed 274: ok 11742 # correct SSSR count 274: ok 11743 # ring membership passed 274: ok 11744 # correct SSSR count 274: ok 11745 # ring membership passed 274: ok 11746 # correct SSSR count 274: ok 11747 # ring membership passed 274: ok 11748 # correct SSSR count 274: ok 11749 # ring membership passed 274: ok 11750 # correct SSSR count 274: ok 11751 # ring membership passed 274: ok 11752 # correct SSSR count 274: ok 11753 # ring membership passed 274: ok 11754 # correct SSSR count 274: ok 11755 # ring membership passed 274: ok 11756 # correct SSSR count 274: ok 11757 # ring membership passed 274: ok 11758 # correct SSSR count 274: ok 11759 # ring membership passed 274: ok 11760 # correct SSSR count 274: ok 11761 # ring membership passed 274: ok 11762 # correct SSSR count 274: ok 11763 # ring membership passed 274: ok 11764 # correct SSSR count 274: ok 11765 # ring membership passed 274: ok 11766 # correct SSSR count 274: ok 11767 # ring membership passed 274: ok 11768 # correct SSSR count 274: ok 11769 # ring membership passed 274: ok 11770 # correct ring bond data 274: ok 11771 # correct ring bond data 274: ok 11772 # correct ring bond data 274: ok 11773 # correct ring bond data 274: ok 11774 # correct ring bond data 274: ok 11775 # correct ring bond data 274: ok 11776 # correct ring bond data 274: ok 11777 # correct ring bond data 274: ok 11778 # correct ring bond data 274: ok 11779 # correct ring bond data 274: ok 11780 # correct ring bond data 274: ok 11781 # correct ring bond data 274: ok 11782 # SSSR size matches reference 274: ok 11783 # correct SSSR count 274: ok 11784 # ring membership passed 274: ok 11785 # correct SSSR count 274: ok 11786 # ring membership passed 274: ok 11787 # correct SSSR count 274: ok 11788 # ring membership passed 274: ok 11789 # correct SSSR count 274: ok 11790 # ring membership passed 274: ok 11791 # correct SSSR count 274: ok 11792 # ring membership passed 274: ok 11793 # correct SSSR count 274: ok 11794 # ring membership passed 274: ok 11795 # correct SSSR count 274: ok 11796 # ring membership passed 274: ok 11797 # correct SSSR count 274: ok 11798 # ring membership passed 274: ok 11799 # correct SSSR count 274: ok 11800 # ring membership passed 274: ok 11801 # correct SSSR count 274: ok 11802 # ring membership passed 274: ok 11803 # correct SSSR count 274: ok 11804 # ring membership passed 274: ok 11805 # correct ring bond data 274: ok 11806 # correct ring bond data 274: ok 11807 # correct ring bond data 274: ok 11808 # correct ring bond data 274: ok 11809 # correct ring bond data 274: ok 11810 # correct ring bond data 274: ok 11811 # correct ring bond data 274: ok 11812 # correct ring bond data 274: ok 11813 # correct ring bond data 274: ok 11814 # correct ring bond data 274: ok 11815 # correct ring bond data 274: ok 11816 # correct ring bond data 274: ok 11817 # correct ring bond data 274: ok 11818 # correct ring bond data 274: ok 11819 # correct ring bond data 274: ok 11820 # correct ring bond data 274: ok 11821 # correct ring bond data 274: ok 11822 # correct ring bond data 274: ok 11823 # correct ring bond data 274: ok 11824 # correct ring bond data 274: ok 11825 # SSSR size matches reference 274: ok 11826 # correct SSSR count 274: ok 11827 # ring membership passed 274: ok 11828 # correct SSSR count 274: ok 11829 # ring membership passed 274: ok 11830 # correct SSSR count 274: ok 11831 # ring membership passed 274: ok 11832 # correct SSSR count 274: ok 11833 # ring membership passed 274: ok 11834 # correct SSSR count 274: ok 11835 # ring membership passed 274: ok 11836 # correct SSSR count 274: ok 11837 # ring membership passed 274: ok 11838 # correct SSSR count 274: ok 11839 # ring membership passed 274: ok 11840 # correct SSSR count 274: ok 11841 # ring membership passed 274: ok 11842 # correct SSSR count 274: ok 11843 # ring membership passed 274: ok 11844 # correct SSSR count 274: ok 11845 # ring membership passed 274: ok 11846 # correct SSSR count 274: ok 11847 # ring membership passed 274: ok 11848 # correct SSSR count 274: ok 11849 # ring membership passed 274: ok 11850 # correct SSSR count 274: ok 11851 # ring membership passed 274: ok 11852 # correct SSSR count 274: ok 11853 # ring membership passed 274: ok 11854 # correct SSSR count 274: ok 11855 # ring membership passed 274: ok 11856 # correct SSSR count 274: ok 11857 # ring membership passed 274: ok 11858 # correct SSSR count 274: ok 11859 # ring membership passed 274: ok 11860 # correct SSSR count 274: ok 11861 # ring membership passed 274: ok 11862 # correct SSSR count 274: ok 11863 # ring membership passed 274: ok 11864 # correct ring bond data 274: ok 11865 # correct ring bond data 274: ok 11866 # correct ring bond data 274: ok 11867 # correct ring bond data 274: ok 11868 # correct ring bond data 274: ok 11869 # correct ring bond data 274: ok 11870 # correct ring bond data 274: ok 11871 # correct ring bond data 274: ok 11872 # correct ring bond data 274: ok 11873 # correct ring bond data 274: ok 11874 # correct ring bond data 274: ok 11875 # correct ring bond data 274: ok 11876 # correct ring bond data 274: ok 11877 # SSSR size matches reference 274: ok 11878 # correct SSSR count 274: ok 11879 # ring membership passed 274: ok 11880 # correct SSSR count 274: ok 11881 # ring membership passed 274: ok 11882 # correct SSSR count 274: ok 11883 # ring membership passed 274: ok 11884 # correct SSSR count 274: ok 11885 # ring membership passed 274: ok 11886 # correct SSSR count 274: ok 11887 # ring membership passed 274: ok 11888 # correct SSSR count 274: ok 11889 # ring membership passed 274: ok 11890 # correct SSSR count 274: ok 11891 # ring membership passed 274: ok 11892 # correct SSSR count 274: ok 11893 # ring membership passed 274: ok 11894 # correct SSSR count 274: ok 11895 # ring membership passed 274: ok 11896 # correct SSSR count 274: ok 11897 # ring membership passed 274: ok 11898 # correct SSSR count 274: ok 11899 # ring membership passed 274: ok 11900 # correct SSSR count 274: ok 11901 # ring membership passed 274: ok 11902 # correct ring bond data 274: ok 11903 # correct ring bond data 274: ok 11904 # correct ring bond data 274: ok 11905 # correct ring bond data 274: ok 11906 # correct ring bond data 274: ok 11907 # correct ring bond data 274: ok 11908 # correct ring bond data 274: ok 11909 # correct ring bond data 274: ok 11910 # correct ring bond data 274: ok 11911 # correct ring bond data 274: ok 11912 # correct ring bond data 274: ok 11913 # correct ring bond data 274: ok 11914 # correct ring bond data 274: ok 11915 # correct ring bond data 274: ok 11916 # correct ring bond data 274: ok 11917 # correct ring bond data 274: ok 11918 # correct ring bond data 274: ok 11919 # correct ring bond data 274: ok 11920 # correct ring bond data 274: ok 11921 # correct ring bond data 274: ok 11922 # correct ring bond data 274: ok 11923 # correct ring bond data 274: ok 11924 # correct ring bond data 274: ok 11925 # correct ring bond data 274: ok 11926 # correct ring bond data 274: ok 11927 # correct ring bond data 274: ok 11928 # correct ring bond data 274: ok 11929 # correct ring bond data 274: ok 11930 # correct ring bond data 274: ok 11931 # SSSR size matches reference 274: ok 11932 # correct SSSR count 274: ok 11933 # ring membership passed 274: ok 11934 # correct SSSR count 274: ok 11935 # ring membership passed 274: ok 11936 # correct SSSR count 274: ok 11937 # ring membership passed 274: ok 11938 # correct SSSR count 274: ok 11939 # ring membership passed 274: ok 11940 # correct SSSR count 274: ok 11941 # ring membership passed 274: ok 11942 # correct SSSR count 274: ok 11943 # ring membership passed 274: ok 11944 # correct SSSR count 274: ok 11945 # ring membership passed 274: ok 11946 # correct SSSR count 274: ok 11947 # ring membership passed 274: ok 11948 # correct SSSR count 274: ok 11949 # ring membership passed 274: ok 11950 # correct SSSR count 274: ok 11951 # ring membership passed 274: ok 11952 # correct SSSR count 274: ok 11953 # ring membership passed 274: ok 11954 # correct SSSR count 274: ok 11955 # ring membership passed 274: ok 11956 # correct SSSR count 274: ok 11957 # ring membership passed 274: ok 11958 # correct SSSR count 274: ok 11959 # ring membership passed 274: ok 11960 # correct SSSR count 274: ok 11961 # ring membership passed 274: ok 11962 # correct SSSR count 274: ok 11963 # ring membership passed 274: ok 11964 # correct SSSR count 274: ok 11965 # ring membership passed 274: ok 11966 # correct SSSR count 274: ok 11967 # ring membership passed 274: ok 11968 # correct SSSR count 274: ok 11969 # ring membership passed 274: ok 11970 # correct SSSR count 274: ok 11971 # ring membership passed 274: ok 11972 # correct SSSR count 274: ok 11973 # ring membership passed 274: ok 11974 # correct SSSR count 274: ok 11975 # ring membership passed 274: ok 11976 # correct SSSR count 274: ok 11977 # ring membership passed 274: ok 11978 # correct SSSR count 274: ok 11979 # ring membership passed 274: ok 11980 # correct SSSR count 274: ok 11981 # ring membership passed 274: ok 11982 # correct SSSR count 274: ok 11983 # ring membership passed 274: ok 11984 # correct ring bond data 274: ok 11985 # correct ring bond data 274: ok 11986 # correct ring bond data 274: ok 11987 # correct ring bond data 274: ok 11988 # correct ring bond data 274: ok 11989 # correct ring bond data 274: ok 11990 # correct ring bond data 274: ok 11991 # correct ring bond data 274: ok 11992 # correct ring bond data 274: ok 11993 # correct ring bond data 274: ok 11994 # correct ring bond data 274: ok 11995 # correct ring bond data 274: ok 11996 # correct ring bond data 274: ok 11997 # correct ring bond data 274: ok 11998 # correct ring bond data 274: ok 11999 # correct ring bond data 274: ok 12000 # correct ring bond data 274: ok 12001 # correct ring bond data 274: ok 12002 # correct ring bond data 274: ok 12003 # correct ring bond data 274: ok 12004 # correct ring bond data 274: ok 12005 # correct ring bond data 274: ok 12006 # correct ring bond data 274: ok 12007 # correct ring bond data 274: ok 12008 # correct ring bond data 274: ok 12009 # correct ring bond data 274: ok 12010 # correct ring bond data 274: ok 12011 # correct ring bond data 274: ok 12012 # correct ring bond data 274: ok 12013 # correct ring bond data 274: ok 12014 # correct ring bond data 274: ok 12015 # SSSR size matches reference 274: ok 12016 # correct SSSR count 274: ok 12017 # ring membership passed 274: ok 12018 # correct SSSR count 274: ok 12019 # ring membership passed 274: ok 12020 # correct SSSR count 274: ok 12021 # ring membership passed 274: ok 12022 # correct SSSR count 274: ok 12023 # ring membership passed 274: ok 12024 # correct SSSR count 274: ok 12025 # ring membership passed 274: ok 12026 # correct SSSR count 274: ok 12027 # ring membership passed 274: ok 12028 # correct SSSR count 274: ok 12029 # ring membership passed 274: ok 12030 # correct SSSR count 274: ok 12031 # ring membership passed 274: ok 12032 # correct SSSR count 274: ok 12033 # ring membership passed 274: ok 12034 # correct SSSR count 274: ok 12035 # ring membership passed 274: ok 12036 # correct SSSR count 274: ok 12037 # ring membership passed 274: ok 12038 # correct SSSR count 274: ok 12039 # ring membership passed 274: ok 12040 # correct SSSR count 274: ok 12041 # ring membership passed 274: ok 12042 # correct SSSR count 274: ok 12043 # ring membership passed 274: ok 12044 # correct SSSR count 274: ok 12045 # ring membership passed 274: ok 12046 # correct SSSR count 274: ok 12047 # ring membership passed 274: ok 12048 # correct SSSR count 274: ok 12049 # ring membership passed 274: ok 12050 # correct SSSR count 274: ok 12051 # ring membership passed 274: ok 12052 # correct SSSR count 274: ok 12053 # ring membership passed 274: ok 12054 # correct SSSR count 274: ok 12055 # ring membership passed 274: ok 12056 # correct SSSR count 274: ok 12057 # ring membership passed 274: ok 12058 # correct SSSR count 274: ok 12059 # ring membership passed 274: ok 12060 # correct SSSR count 274: ok 12061 # ring membership passed 274: ok 12062 # correct SSSR count 274: ok 12063 # ring membership passed 274: ok 12064 # correct SSSR count 274: ok 12065 # ring membership passed 274: ok 12066 # correct SSSR count 274: ok 12067 # ring membership passed 274: ok 12068 # correct SSSR count 274: ok 12069 # ring membership passed 274: ok 12070 # correct SSSR count 274: ok 12071 # ring membership passed 274: ok 12072 # correct SSSR count 274: ok 12073 # ring membership passed 274: ok 12074 # correct ring bond data 274: ok 12075 # correct ring bond data 274: ok 12076 # correct ring bond data 274: ok 12077 # correct ring bond data 274: ok 12078 # correct ring bond data 274: ok 12079 # correct ring bond data 274: ok 12080 # correct ring bond data 274: ok 12081 # correct ring bond data 274: ok 12082 # correct ring bond data 274: ok 12083 # correct ring bond data 274: ok 12084 # correct ring bond data 274: ok 12085 # correct ring bond data 274: ok 12086 # correct ring bond data 274: ok 12087 # correct ring bond data 274: ok 12088 # correct ring bond data 274: ok 12089 # SSSR size matches reference 274: ok 12090 # correct SSSR count 274: ok 12091 # ring membership passed 274: ok 12092 # correct SSSR count 274: ok 12093 # ring membership passed 274: ok 12094 # correct SSSR count 274: ok 12095 # ring membership passed 274: ok 12096 # correct SSSR count 274: ok 12097 # ring membership passed 274: ok 12098 # correct SSSR count 274: ok 12099 # ring membership passed 274: ok 12100 # correct SSSR count 274: ok 12101 # ring membership passed 274: ok 12102 # correct SSSR count 274: ok 12103 # ring membership passed 274: ok 12104 # correct SSSR count 274: ok 12105 # ring membership passed 274: ok 12106 # correct SSSR count 274: ok 12107 # ring membership passed 274: ok 12108 # correct SSSR count 274: ok 12109 # ring membership passed 274: ok 12110 # correct SSSR count 274: ok 12111 # ring membership passed 274: ok 12112 # correct SSSR count 274: ok 12113 # ring membership passed 274: ok 12114 # correct SSSR count 274: ok 12115 # ring membership passed 274: ok 12116 # correct SSSR count 274: ok 12117 # ring membership passed 274: ok 12118 # correct SSSR count 274: ok 12119 # ring membership passed 274: ok 12120 # correct ring bond data 274: ok 12121 # correct ring bond data 274: ok 12122 # correct ring bond data 274: ok 12123 # correct ring bond data 274: ok 12124 # correct ring bond data 274: ok 12125 # correct ring bond data 274: ok 12126 # correct ring bond data 274: ok 12127 # correct ring bond data 274: ok 12128 # correct ring bond data 274: ok 12129 # correct ring bond data 274: ok 12130 # correct ring bond data 274: ok 12131 # correct ring bond data 274: ok 12132 # correct ring bond data 274: ok 12133 # correct ring bond data 274: ok 12134 # correct ring bond data 274: ok 12135 # correct ring bond data 274: ok 12136 # correct ring bond data 274: ok 12137 # correct ring bond data 274: ok 12138 # correct ring bond data 274: ok 12139 # correct ring bond data 274: ok 12140 # correct ring bond data 274: ok 12141 # correct ring bond data 274: ok 12142 # correct ring bond data 274: ok 12143 # correct ring bond data 274: ok 12144 # correct ring bond data 274: ok 12145 # correct ring bond data 274: ok 12146 # correct ring bond data 274: ok 12147 # correct ring bond data 274: ok 12148 # correct ring bond data 274: ok 12149 # correct ring bond data 274: ok 12150 # correct ring bond data 274: ok 12151 # SSSR size matches reference 274: ok 12152 # correct SSSR count 274: ok 12153 # ring membership passed 274: ok 12154 # correct SSSR count 274: ok 12155 # ring membership passed 274: ok 12156 # correct SSSR count 274: ok 12157 # ring membership passed 274: ok 12158 # correct SSSR count 274: ok 12159 # ring membership passed 274: ok 12160 # correct SSSR count 274: ok 12161 # ring membership passed 274: ok 12162 # correct SSSR count 274: ok 12163 # ring membership passed 274: ok 12164 # correct SSSR count 274: ok 12165 # ring membership passed 274: ok 12166 # correct SSSR count 274: ok 12167 # ring membership passed 274: ok 12168 # correct SSSR count 274: ok 12169 # ring membership passed 274: ok 12170 # correct SSSR count 274: ok 12171 # ring membership passed 274: ok 12172 # correct SSSR count 274: ok 12173 # ring membership passed 274: ok 12174 # correct SSSR count 274: ok 12175 # ring membership passed 274: ok 12176 # correct SSSR count 274: ok 12177 # ring membership passed 274: ok 12178 # correct SSSR count 274: ok 12179 # ring membership passed 274: ok 12180 # correct SSSR count 274: ok 12181 # ring membership passed 274: ok 12182 # correct SSSR count 274: ok 12183 # ring membership passed 274: ok 12184 # correct SSSR count 274: ok 12185 # ring membership passed 274: ok 12186 # correct SSSR count 274: ok 12187 # ring membership passed 274: ok 12188 # correct SSSR count 274: ok 12189 # ring membership passed 274: ok 12190 # correct SSSR count 274: ok 12191 # ring membership passed 274: ok 12192 # correct SSSR count 274: ok 12193 # ring membership passed 274: ok 12194 # correct SSSR count 274: ok 12195 # ring membership passed 274: ok 12196 # correct SSSR count 274: ok 12197 # ring membership passed 274: ok 12198 # correct SSSR count 274: ok 12199 # ring membership passed 274: ok 12200 # correct SSSR count 274: ok 12201 # ring membership passed 274: ok 12202 # correct SSSR count 274: ok 12203 # ring membership passed 274: ok 12204 # correct SSSR count 274: ok 12205 # ring membership passed 274: ok 12206 # correct SSSR count 274: ok 12207 # ring membership passed 274: ok 12208 # correct ring bond data 274: ok 12209 # correct ring bond data 274: ok 12210 # correct ring bond data 274: ok 12211 # correct ring bond data 274: ok 12212 # correct ring bond data 274: ok 12213 # correct ring bond data 274: ok 12214 # correct ring bond data 274: ok 12215 # correct ring bond data 274: ok 12216 # correct ring bond data 274: ok 12217 # correct ring bond data 274: ok 12218 # correct ring bond data 274: ok 12219 # correct ring bond data 274: ok 12220 # correct ring bond data 274: ok 12221 # correct ring bond data 274: ok 12222 # correct ring bond data 274: ok 12223 # correct ring bond data 274: ok 12224 # correct ring bond data 274: ok 12225 # SSSR size matches reference 274: ok 12226 # correct SSSR count 274: ok 12227 # ring membership passed 274: ok 12228 # correct SSSR count 274: ok 12229 # ring membership passed 274: ok 12230 # correct SSSR count 274: ok 12231 # ring membership passed 274: ok 12232 # correct SSSR count 274: ok 12233 # ring membership passed 274: ok 12234 # correct SSSR count 274: ok 12235 # ring membership passed 274: ok 12236 # correct SSSR count 274: ok 12237 # ring membership passed 274: ok 12238 # correct SSSR count 274: ok 12239 # ring membership passed 274: ok 12240 # correct SSSR count 274: ok 12241 # ring membership passed 274: ok 12242 # correct SSSR count 274: ok 12243 # ring membership passed 274: ok 12244 # correct SSSR count 274: ok 12245 # ring membership passed 274: ok 12246 # correct SSSR count 274: ok 12247 # ring membership passed 274: ok 12248 # correct SSSR count 274: ok 12249 # ring membership passed 274: ok 12250 # correct SSSR count 274: ok 12251 # ring membership passed 274: ok 12252 # correct SSSR count 274: ok 12253 # ring membership passed 274: ok 12254 # correct SSSR count 274: ok 12255 # ring membership passed 274: ok 12256 # correct SSSR count 274: ok 12257 # ring membership passed 274: ok 12258 # correct SSSR count 274: ok 12259 # ring membership passed 274: ok 12260 # correct ring bond data 274: ok 12261 # correct ring bond data 274: ok 12262 # correct ring bond data 274: ok 12263 # correct ring bond data 274: ok 12264 # correct ring bond data 274: ok 12265 # correct ring bond data 274: ok 12266 # correct ring bond data 274: ok 12267 # correct ring bond data 274: ok 12268 # correct ring bond data 274: ok 12269 # correct ring bond data 274: ok 12270 # correct ring bond data 274: ok 12271 # correct ring bond data 274: ok 12272 # correct ring bond data 274: ok 12273 # correct ring bond data 274: ok 12274 # correct ring bond data 274: ok 12275 # correct ring bond data 274: ok 12276 # correct ring bond data 274: ok 12277 # correct ring bond data 274: ok 12278 # correct ring bond data 274: ok 12279 # correct ring bond data 274: ok 12280 # correct ring bond data 274: ok 12281 # correct ring bond data 274: ok 12282 # correct ring bond data 274: ok 12283 # correct ring bond data 274: ok 12284 # correct ring bond data 274: ok 12285 # correct ring bond data 274: ok 12286 # SSSR size matches reference 274: ok 12287 # correct SSSR count 274: ok 12288 # ring membership passed 274: ok 12289 # correct SSSR count 274: ok 12290 # ring membership passed 274: ok 12291 # correct SSSR count 274: ok 12292 # ring membership passed 274: ok 12293 # correct SSSR count 274: ok 12294 # ring membership passed 274: ok 12295 # correct SSSR count 274: ok 12296 # ring membership passed 274: ok 12297 # correct SSSR count 274: ok 12298 # ring membership passed 274: ok 12299 # correct SSSR count 274: ok 12300 # ring membership passed 274: ok 12301 # correct SSSR count 274: ok 12302 # ring membership passed 274: ok 12303 # correct SSSR count 274: ok 12304 # ring membership passed 274: ok 12305 # correct SSSR count 274: ok 12306 # ring membership passed 274: ok 12307 # correct SSSR count 274: ok 12308 # ring membership passed 274: ok 12309 # correct SSSR count 274: ok 12310 # ring membership passed 274: ok 12311 # correct SSSR count 274: ok 12312 # ring membership passed 274: ok 12313 # correct SSSR count 274: ok 12314 # ring membership passed 274: ok 12315 # correct SSSR count 274: ok 12316 # ring membership passed 274: ok 12317 # correct SSSR count 274: ok 12318 # ring membership passed 274: ok 12319 # correct SSSR count 274: ok 12320 # ring membership passed 274: ok 12321 # correct SSSR count 274: ok 12322 # ring membership passed 274: ok 12323 # correct SSSR count 274: ok 12324 # ring membership passed 274: ok 12325 # correct SSSR count 274: ok 12326 # ring membership passed 274: ok 12327 # correct SSSR count 274: ok 12328 # ring membership passed 274: ok 12329 # correct SSSR count 274: ok 12330 # ring membership passed 274: ok 12331 # correct SSSR count 274: ok 12332 # ring membership passed 274: ok 12333 # correct SSSR count 274: ok 12334 # ring membership passed 274: ok 12335 # correct ring bond data 274: ok 12336 # correct ring bond data 274: ok 12337 # correct ring bond data 274: ok 12338 # correct ring bond data 274: ok 12339 # correct ring bond data 274: ok 12340 # correct ring bond data 274: ok 12341 # correct ring bond data 274: ok 12342 # correct ring bond data 274: ok 12343 # correct ring bond data 274: ok 12344 # correct ring bond data 274: ok 12345 # correct ring bond data 274: ok 12346 # correct ring bond data 274: ok 12347 # correct ring bond data 274: ok 12348 # correct ring bond data 274: ok 12349 # correct ring bond data 274: ok 12350 # correct ring bond data 274: ok 12351 # correct ring bond data 274: ok 12352 # correct ring bond data 274: ok 12353 # correct ring bond data 274: ok 12354 # correct ring bond data 274: ok 12355 # correct ring bond data 274: ok 12356 # correct ring bond data 274: ok 12357 # correct ring bond data 274: ok 12358 # correct ring bond data 274: ok 12359 # correct ring bond data 274: ok 12360 # correct ring bond data 274: ok 12361 # correct ring bond data 274: ok 12362 # correct ring bond data 274: ok 12363 # SSSR size matches reference 274: ok 12364 # correct SSSR count 274: ok 12365 # ring membership passed 274: ok 12366 # correct SSSR count 274: ok 12367 # ring membership passed 274: ok 12368 # correct SSSR count 274: ok 12369 # ring membership passed 274: ok 12370 # correct SSSR count 274: ok 12371 # ring membership passed 274: ok 12372 # correct SSSR count 274: ok 12373 # ring membership passed 274: ok 12374 # correct SSSR count 274: ok 12375 # ring membership passed 274: ok 12376 # correct SSSR count 274: ok 12377 # ring membership passed 274: ok 12378 # correct SSSR count 274: ok 12379 # ring membership passed 274: ok 12380 # correct SSSR count 274: ok 12381 # ring membership passed 274: ok 12382 # correct SSSR count 274: ok 12383 # ring membership passed 274: ok 12384 # correct SSSR count 274: ok 12385 # ring membership passed 274: ok 12386 # correct SSSR count 274: ok 12387 # ring membership passed 274: ok 12388 # correct SSSR count 274: ok 12389 # ring membership passed 274: ok 12390 # correct SSSR count 274: ok 12391 # ring membership passed 274: ok 12392 # correct SSSR count 274: ok 12393 # ring membership passed 274: ok 12394 # correct SSSR count 274: ok 12395 # ring membership passed 274: ok 12396 # correct SSSR count 274: ok 12397 # ring membership passed 274: ok 12398 # correct SSSR count 274: ok 12399 # ring membership passed 274: ok 12400 # correct SSSR count 274: ok 12401 # ring membership passed 274: ok 12402 # correct SSSR count 274: ok 12403 # ring membership passed 274: ok 12404 # correct SSSR count 274: ok 12405 # ring membership passed 274: ok 12406 # correct SSSR count 274: ok 12407 # ring membership passed 274: ok 12408 # correct SSSR count 274: ok 12409 # ring membership passed 274: ok 12410 # correct SSSR count 274: ok 12411 # ring membership passed 274: ok 12412 # correct SSSR count 274: ok 12413 # ring membership passed 274: ok 12414 # correct SSSR count 274: ok 12415 # ring membership passed 274: ok 12416 # correct ring bond data 274: ok 12417 # correct ring bond data 274: ok 12418 # correct ring bond data 274: ok 12419 # correct ring bond data 274: ok 12420 # correct ring bond data 274: ok 12421 # correct ring bond data 274: ok 12422 # correct ring bond data 274: ok 12423 # correct ring bond data 274: ok 12424 # correct ring bond data 274: ok 12425 # SSSR size matches reference 274: ok 12426 # correct SSSR count 274: ok 12427 # ring membership passed 274: ok 12428 # correct SSSR count 274: ok 12429 # ring membership passed 274: ok 12430 # correct SSSR count 274: ok 12431 # ring membership passed 274: ok 12432 # correct SSSR count 274: ok 12433 # ring membership passed 274: ok 12434 # correct SSSR count 274: ok 12435 # ring membership passed 274: ok 12436 # correct SSSR count 274: ok 12437 # ring membership passed 274: ok 12438 # correct SSSR count 274: ok 12439 # ring membership passed 274: ok 12440 # correct SSSR count 274: ok 12441 # ring membership passed 274: ok 12442 # correct SSSR count 274: ok 12443 # ring membership passed 274: ok 12444 # correct ring bond data 274: ok 12445 # correct ring bond data 274: ok 12446 # correct ring bond data 274: ok 12447 # correct ring bond data 274: ok 12448 # correct ring bond data 274: ok 12449 # correct ring bond data 274: ok 12450 # correct ring bond data 274: ok 12451 # correct ring bond data 274: ok 12452 # correct ring bond data 274: ok 12453 # correct ring bond data 274: ok 12454 # correct ring bond data 274: ok 12455 # correct ring bond data 274: ok 12456 # correct ring bond data 274: ok 12457 # correct ring bond data 274: ok 12458 # correct ring bond data 274: ok 12459 # correct ring bond data 274: ok 12460 # correct ring bond data 274: ok 12461 # correct ring bond data 274: ok 12462 # correct ring bond data 274: ok 12463 # correct ring bond data 274: ok 12464 # correct ring bond data 274: ok 12465 # correct ring bond data 274: ok 12466 # SSSR size matches reference 274: ok 12467 # correct SSSR count 274: ok 12468 # ring membership passed 274: ok 12469 # correct SSSR count 274: ok 12470 # ring membership passed 274: ok 12471 # correct SSSR count 274: ok 12472 # ring membership passed 274: ok 12473 # correct SSSR count 274: ok 12474 # ring membership passed 274: ok 12475 # correct SSSR count 274: ok 12476 # ring membership passed 274: ok 12477 # correct SSSR count 274: ok 12478 # ring membership passed 274: ok 12479 # correct SSSR count 274: ok 12480 # ring membership passed 274: ok 12481 # correct SSSR count 274: ok 12482 # ring membership passed 274: ok 12483 # correct SSSR count 274: ok 12484 # ring membership passed 274: ok 12485 # correct SSSR count 274: ok 12486 # ring membership passed 274: ok 12487 # correct SSSR count 274: ok 12488 # ring membership passed 274: ok 12489 # correct SSSR count 274: ok 12490 # ring membership passed 274: ok 12491 # correct SSSR count 274: ok 12492 # ring membership passed 274: ok 12493 # correct SSSR count 274: ok 12494 # ring membership passed 274: ok 12495 # correct SSSR count 274: ok 12496 # ring membership passed 274: ok 12497 # correct SSSR count 274: ok 12498 # ring membership passed 274: ok 12499 # correct SSSR count 274: ok 12500 # ring membership passed 274: ok 12501 # correct SSSR count 274: ok 12502 # ring membership passed 274: ok 12503 # correct SSSR count 274: ok 12504 # ring membership passed 274: ok 12505 # correct SSSR count 274: ok 12506 # ring membership passed 274: ok 12507 # correct SSSR count 274: ok 12508 # ring membership passed 274: ok 12509 # correct ring bond data 274: ok 12510 # correct ring bond data 274: ok 12511 # correct ring bond data 274: ok 12512 # correct ring bond data 274: ok 12513 # correct ring bond data 274: ok 12514 # correct ring bond data 274: ok 12515 # correct ring bond data 274: ok 12516 # correct ring bond data 274: ok 12517 # correct ring bond data 274: ok 12518 # correct ring bond data 274: ok 12519 # correct ring bond data 274: ok 12520 # correct ring bond data 274: ok 12521 # correct ring bond data 274: ok 12522 # correct ring bond data 274: ok 12523 # correct ring bond data 274: ok 12524 # correct ring bond data 274: ok 12525 # correct ring bond data 274: ok 12526 # correct ring bond data 274: ok 12527 # correct ring bond data 274: ok 12528 # correct ring bond data 274: ok 12529 # correct ring bond data 274: ok 12530 # correct ring bond data 274: ok 12531 # correct ring bond data 274: ok 12532 # correct ring bond data 274: ok 12533 # correct ring bond data 274: ok 12534 # correct ring bond data 274: ok 12535 # SSSR size matches reference 274: ok 12536 # correct SSSR count 274: ok 12537 # ring membership passed 274: ok 12538 # correct SSSR count 274: ok 12539 # ring membership passed 274: ok 12540 # correct SSSR count 274: ok 12541 # ring membership passed 274: ok 12542 # correct SSSR count 274: ok 12543 # ring membership passed 274: ok 12544 # correct SSSR count 274: ok 12545 # ring membership passed 274: ok 12546 # correct SSSR count 274: ok 12547 # ring membership passed 274: ok 12548 # correct SSSR count 274: ok 12549 # ring membership passed 274: ok 12550 # correct SSSR count 274: ok 12551 # ring membership passed 274: ok 12552 # correct SSSR count 274: ok 12553 # ring membership passed 274: ok 12554 # correct SSSR count 274: ok 12555 # ring membership passed 274: ok 12556 # correct SSSR count 274: ok 12557 # ring membership passed 274: ok 12558 # correct SSSR count 274: ok 12559 # ring membership passed 274: ok 12560 # correct SSSR count 274: ok 12561 # ring membership passed 274: ok 12562 # correct SSSR count 274: ok 12563 # ring membership passed 274: ok 12564 # correct SSSR count 274: ok 12565 # ring membership passed 274: ok 12566 # correct SSSR count 274: ok 12567 # ring membership passed 274: ok 12568 # correct SSSR count 274: ok 12569 # ring membership passed 274: ok 12570 # correct SSSR count 274: ok 12571 # ring membership passed 274: ok 12572 # correct SSSR count 274: ok 12573 # ring membership passed 274: ok 12574 # correct SSSR count 274: ok 12575 # ring membership passed 274: ok 12576 # correct SSSR count 274: ok 12577 # ring membership passed 274: ok 12578 # correct SSSR count 274: ok 12579 # ring membership passed 274: ok 12580 # correct SSSR count 274: ok 12581 # ring membership passed 274: ok 12582 # correct SSSR count 274: ok 12583 # ring membership passed 274: ok 12584 # correct SSSR count 274: ok 12585 # ring membership passed 274: ok 12586 # correct ring bond data 274: ok 12587 # correct ring bond data 274: ok 12588 # correct ring bond data 274: ok 12589 # correct ring bond data 274: ok 12590 # correct ring bond data 274: ok 12591 # correct ring bond data 274: ok 12592 # correct ring bond data 274: ok 12593 # correct ring bond data 274: ok 12594 # correct ring bond data 274: ok 12595 # correct ring bond data 274: ok 12596 # correct ring bond data 274: ok 12597 # correct ring bond data 274: ok 12598 # correct ring bond data 274: ok 12599 # correct ring bond data 274: ok 12600 # correct ring bond data 274: ok 12601 # correct ring bond data 274: ok 12602 # correct ring bond data 274: ok 12603 # correct ring bond data 274: ok 12604 # correct ring bond data 274: ok 12605 # correct ring bond data 274: ok 12606 # correct ring bond data 274: ok 12607 # correct ring bond data 274: ok 12608 # correct ring bond data 274: ok 12609 # correct ring bond data 274: ok 12610 # correct ring bond data 274: ok 12611 # correct ring bond data 274: ok 12612 # correct ring bond data 274: ok 12613 # correct ring bond data 274: ok 12614 # correct ring bond data 274: ok 12615 # SSSR size matches reference 274: ok 12616 # correct SSSR count 274: ok 12617 # ring membership passed 274: ok 12618 # correct SSSR count 274: ok 12619 # ring membership passed 274: ok 12620 # correct SSSR count 274: ok 12621 # ring membership passed 274: ok 12622 # correct SSSR count 274: ok 12623 # ring membership passed 274: ok 12624 # correct SSSR count 274: ok 12625 # ring membership passed 274: ok 12626 # correct SSSR count 274: ok 12627 # ring membership passed 274: ok 12628 # correct SSSR count 274: ok 12629 # ring membership passed 274: ok 12630 # correct SSSR count 274: ok 12631 # ring membership passed 274: ok 12632 # correct SSSR count 274: ok 12633 # ring membership passed 274: ok 12634 # correct SSSR count 274: ok 12635 # ring membership passed 274: ok 12636 # correct SSSR count 274: ok 12637 # ring membership passed 274: ok 12638 # correct SSSR count 274: ok 12639 # ring membership passed 274: ok 12640 # correct SSSR count 274: ok 12641 # ring membership passed 274: ok 12642 # correct SSSR count 274: ok 12643 # ring membership passed 274: ok 12644 # correct SSSR count 274: ok 12645 # ring membership passed 274: ok 12646 # correct SSSR count 274: ok 12647 # ring membership passed 274: ok 12648 # correct SSSR count 274: ok 12649 # ring membership passed 274: ok 12650 # correct SSSR count 274: ok 12651 # ring membership passed 274: ok 12652 # correct SSSR count 274: ok 12653 # ring membership passed 274: ok 12654 # correct SSSR count 274: ok 12655 # ring membership passed 274: ok 12656 # correct SSSR count 274: ok 12657 # ring membership passed 274: ok 12658 # correct SSSR count 274: ok 12659 # ring membership passed 274: ok 12660 # correct SSSR count 274: ok 12661 # ring membership passed 274: ok 12662 # correct SSSR count 274: ok 12663 # ring membership passed 274: ok 12664 # correct SSSR count 274: ok 12665 # ring membership passed 274: ok 12666 # correct SSSR count 274: ok 12667 # ring membership passed 274: ok 12668 # correct SSSR count 274: ok 12669 # ring membership passed 274: ok 12670 # correct SSSR count 274: ok 12671 # ring membership passed 274: ok 12672 # correct ring bond data 274: ok 12673 # correct ring bond data 274: ok 12674 # correct ring bond data 274: ok 12675 # correct ring bond data 274: ok 12676 # correct ring bond data 274: ok 12677 # correct ring bond data 274: ok 12678 # correct ring bond data 274: ok 12679 # correct ring bond data 274: ok 12680 # correct ring bond data 274: ok 12681 # correct ring bond data 274: ok 12682 # correct ring bond data 274: ok 12683 # correct ring bond data 274: ok 12684 # correct ring bond data 274: ok 12685 # correct ring bond data 274: ok 12686 # correct ring bond data 274: ok 12687 # correct ring bond data 274: ok 12688 # correct ring bond data 274: ok 12689 # correct ring bond data 274: ok 12690 # correct ring bond data 274: ok 12691 # correct ring bond data 274: ok 12692 # correct ring bond data 274: ok 12693 # correct ring bond data 274: ok 12694 # correct ring bond data 274: ok 12695 # correct ring bond data 274: ok 12696 # SSSR size matches reference 274: ok 12697 # correct SSSR count 274: ok 12698 # ring membership passed 274: ok 12699 # correct SSSR count 274: ok 12700 # ring membership passed 274: ok 12701 # correct SSSR count 274: ok 12702 # ring membership passed 274: ok 12703 # correct SSSR count 274: ok 12704 # ring membership passed 274: ok 12705 # correct SSSR count 274: ok 12706 # ring membership passed 274: ok 12707 # correct SSSR count 274: ok 12708 # ring membership passed 274: ok 12709 # correct SSSR count 274: ok 12710 # ring membership passed 274: ok 12711 # correct SSSR count 274: ok 12712 # ring membership passed 274: ok 12713 # correct SSSR count 274: ok 12714 # ring membership passed 274: ok 12715 # correct SSSR count 274: ok 12716 # ring membership passed 274: ok 12717 # correct SSSR count 274: ok 12718 # ring membership passed 274: ok 12719 # correct SSSR count 274: ok 12720 # ring membership passed 274: ok 12721 # correct SSSR count 274: ok 12722 # ring membership passed 274: ok 12723 # correct SSSR count 274: ok 12724 # ring membership passed 274: ok 12725 # correct SSSR count 274: ok 12726 # ring membership passed 274: ok 12727 # correct SSSR count 274: ok 12728 # ring membership passed 274: ok 12729 # correct SSSR count 274: ok 12730 # ring membership passed 274: ok 12731 # correct SSSR count 274: ok 12732 # ring membership passed 274: ok 12733 # correct SSSR count 274: ok 12734 # ring membership passed 274: ok 12735 # correct SSSR count 274: ok 12736 # ring membership passed 274: ok 12737 # correct SSSR count 274: ok 12738 # ring membership passed 274: ok 12739 # correct SSSR count 274: ok 12740 # ring membership passed 274: ok 12741 # correct SSSR count 274: ok 12742 # ring membership passed 274: ok 12743 # correct ring bond data 274: ok 12744 # correct ring bond data 274: ok 12745 # correct ring bond data 274: ok 12746 # correct ring bond data 274: ok 12747 # correct ring bond data 274: ok 12748 # correct ring bond data 274: ok 12749 # correct ring bond data 274: ok 12750 # correct ring bond data 274: ok 12751 # correct ring bond data 274: ok 12752 # correct ring bond data 274: ok 12753 # correct ring bond data 274: ok 12754 # correct ring bond data 274: ok 12755 # correct ring bond data 274: ok 12756 # correct ring bond data 274: ok 12757 # correct ring bond data 274: ok 12758 # SSSR size matches reference 274: ok 12759 # correct SSSR count 274: ok 12760 # ring membership passed 274: ok 12761 # correct SSSR count 274: ok 12762 # ring membership passed 274: ok 12763 # correct SSSR count 274: ok 12764 # ring membership passed 274: ok 12765 # correct SSSR count 274: ok 12766 # ring membership passed 274: ok 12767 # correct SSSR count 274: ok 12768 # ring membership passed 274: ok 12769 # correct SSSR count 274: ok 12770 # ring membership passed 274: ok 12771 # correct SSSR count 274: ok 12772 # ring membership passed 274: ok 12773 # correct SSSR count 274: ok 12774 # ring membership passed 274: ok 12775 # correct SSSR count 274: ok 12776 # ring membership passed 274: ok 12777 # correct SSSR count 274: ok 12778 # ring membership passed 274: ok 12779 # correct SSSR count 274: ok 12780 # ring membership passed 274: ok 12781 # correct SSSR count 274: ok 12782 # ring membership passed 274: ok 12783 # correct SSSR count 274: ok 12784 # ring membership passed 274: ok 12785 # correct SSSR count 274: ok 12786 # ring membership passed 274: ok 12787 # correct SSSR count 274: ok 12788 # ring membership passed 274: ok 12789 # correct ring bond data 274: ok 12790 # correct ring bond data 274: ok 12791 # correct ring bond data 274: ok 12792 # correct ring bond data 274: ok 12793 # correct ring bond data 274: ok 12794 # correct ring bond data 274: ok 12795 # correct ring bond data 274: ok 12796 # correct ring bond data 274: ok 12797 # correct ring bond data 274: ok 12798 # correct ring bond data 274: ok 12799 # correct ring bond data 274: ok 12800 # correct ring bond data 274: ok 12801 # correct ring bond data 274: ok 12802 # correct ring bond data 274: ok 12803 # correct ring bond data 274: ok 12804 # SSSR size matches reference 274: ok 12805 # correct SSSR count 274: ok 12806 # ring membership passed 274: ok 12807 # correct SSSR count 274: ok 12808 # ring membership passed 274: ok 12809 # correct SSSR count 274: ok 12810 # ring membership passed 274: ok 12811 # correct SSSR count 274: ok 12812 # ring membership passed 274: ok 12813 # correct SSSR count 274: ok 12814 # ring membership passed 274: ok 12815 # correct SSSR count 274: ok 12816 # ring membership passed 274: ok 12817 # correct SSSR count 274: ok 12818 # ring membership passed 274: ok 12819 # correct SSSR count 274: ok 12820 # ring membership passed 274: ok 12821 # correct SSSR count 274: ok 12822 # ring membership passed 274: ok 12823 # correct SSSR count 274: ok 12824 # ring membership passed 274: ok 12825 # correct SSSR count 274: ok 12826 # ring membership passed 274: ok 12827 # correct SSSR count 274: ok 12828 # ring membership passed 274: ok 12829 # correct SSSR count 274: ok 12830 # ring membership passed 274: ok 12831 # correct SSSR count 274: ok 12832 # ring membership passed 274: ok 12833 # correct SSSR count 274: ok 12834 # ring membership passed 274: ok 12835 # correct ring bond data 274: ok 12836 # correct ring bond data 274: ok 12837 # correct ring bond data 274: ok 12838 # correct ring bond data 274: ok 12839 # correct ring bond data 274: ok 12840 # correct ring bond data 274: ok 12841 # correct ring bond data 274: ok 12842 # correct ring bond data 274: ok 12843 # correct ring bond data 274: ok 12844 # correct ring bond data 274: ok 12845 # correct ring bond data 274: ok 12846 # correct ring bond data 274: ok 12847 # correct ring bond data 274: ok 12848 # correct ring bond data 274: ok 12849 # correct ring bond data 274: ok 12850 # correct ring bond data 274: ok 12851 # correct ring bond data 274: ok 12852 # correct ring bond data 274: ok 12853 # SSSR size matches reference 274: ok 12854 # correct SSSR count 274: ok 12855 # ring membership passed 274: ok 12856 # correct SSSR count 274: ok 12857 # ring membership passed 274: ok 12858 # correct SSSR count 274: ok 12859 # ring membership passed 274: ok 12860 # correct SSSR count 274: ok 12861 # ring membership passed 274: ok 12862 # correct SSSR count 274: ok 12863 # ring membership passed 274: ok 12864 # correct SSSR count 274: ok 12865 # ring membership passed 274: ok 12866 # correct SSSR count 274: ok 12867 # ring membership passed 274: ok 12868 # correct SSSR count 274: ok 12869 # ring membership passed 274: ok 12870 # correct SSSR count 274: ok 12871 # ring membership passed 274: ok 12872 # correct SSSR count 274: ok 12873 # ring membership passed 274: ok 12874 # correct SSSR count 274: ok 12875 # ring membership passed 274: ok 12876 # correct SSSR count 274: ok 12877 # ring membership passed 274: ok 12878 # correct SSSR count 274: ok 12879 # ring membership passed 274: ok 12880 # correct SSSR count 274: ok 12881 # ring membership passed 274: ok 12882 # correct SSSR count 274: ok 12883 # ring membership passed 274: ok 12884 # correct SSSR count 274: ok 12885 # ring membership passed 274: ok 12886 # correct SSSR count 274: ok 12887 # ring membership passed 274: ok 12888 # correct ring bond data 274: ok 12889 # correct ring bond data 274: ok 12890 # correct ring bond data 274: ok 12891 # correct ring bond data 274: ok 12892 # correct ring bond data 274: ok 12893 # correct ring bond data 274: ok 12894 # correct ring bond data 274: ok 12895 # correct ring bond data 274: ok 12896 # correct ring bond data 274: ok 12897 # correct ring bond data 274: ok 12898 # correct ring bond data 274: ok 12899 # correct ring bond data 274: ok 12900 # correct ring bond data 274: ok 12901 # correct ring bond data 274: ok 12902 # SSSR size matches reference 274: ok 12903 # correct SSSR count 274: ok 12904 # ring membership passed 274: ok 12905 # correct SSSR count 274: ok 12906 # ring membership passed 274: ok 12907 # correct SSSR count 274: ok 12908 # ring membership passed 274: ok 12909 # correct SSSR count 274: ok 12910 # ring membership passed 274: ok 12911 # correct SSSR count 274: ok 12912 # ring membership passed 274: ok 12913 # correct SSSR count 274: ok 12914 # ring membership passed 274: ok 12915 # correct SSSR count 274: ok 12916 # ring membership passed 274: ok 12917 # correct SSSR count 274: ok 12918 # ring membership passed 274: ok 12919 # correct SSSR count 274: ok 12920 # ring membership passed 274: ok 12921 # correct SSSR count 274: ok 12922 # ring membership passed 274: ok 12923 # correct SSSR count 274: ok 12924 # ring membership passed 274: ok 12925 # correct SSSR count 274: ok 12926 # ring membership passed 274: ok 12927 # correct SSSR count 274: ok 12928 # ring membership passed 274: ok 12929 # correct SSSR count 274: ok 12930 # ring membership passed 274: ok 12931 # correct ring bond data 274: ok 12932 # correct ring bond data 274: ok 12933 # correct ring bond data 274: ok 12934 # correct ring bond data 274: ok 12935 # correct ring bond data 274: ok 12936 # correct ring bond data 274: ok 12937 # correct ring bond data 274: ok 12938 # correct ring bond data 274: ok 12939 # SSSR size matches reference 274: ok 12940 # correct SSSR count 274: ok 12941 # ring membership passed 274: ok 12942 # correct SSSR count 274: ok 12943 # ring membership passed 274: ok 12944 # correct SSSR count 274: ok 12945 # ring membership passed 274: ok 12946 # correct SSSR count 274: ok 12947 # ring membership passed 274: ok 12948 # correct SSSR count 274: ok 12949 # ring membership passed 274: ok 12950 # correct SSSR count 274: ok 12951 # ring membership passed 274: ok 12952 # correct SSSR count 274: ok 12953 # ring membership passed 274: ok 12954 # correct SSSR count 274: ok 12955 # ring membership passed 274: ok 12956 # correct ring bond data 274: ok 12957 # correct ring bond data 274: ok 12958 # correct ring bond data 274: ok 12959 # correct ring bond data 274: ok 12960 # correct ring bond data 274: ok 12961 # correct ring bond data 274: ok 12962 # correct ring bond data 274: ok 12963 # correct ring bond data 274: ok 12964 # correct ring bond data 274: ok 12965 # correct ring bond data 274: ok 12966 # SSSR size matches reference 274: ok 12967 # correct SSSR count 274: ok 12968 # ring membership passed 274: ok 12969 # correct SSSR count 274: ok 12970 # ring membership passed 274: ok 12971 # correct SSSR count 274: ok 12972 # ring membership passed 274: ok 12973 # correct SSSR count 274: ok 12974 # ring membership passed 274: ok 12975 # correct SSSR count 274: ok 12976 # ring membership passed 274: ok 12977 # correct SSSR count 274: ok 12978 # ring membership passed 274: ok 12979 # correct SSSR count 274: ok 12980 # ring membership passed 274: ok 12981 # correct SSSR count 274: ok 12982 # ring membership passed 274: ok 12983 # correct SSSR count 274: ok 12984 # ring membership passed 274: ok 12985 # correct SSSR count 274: ok 12986 # ring membership passed 274: ok 12987 # correct ring bond data 274: ok 12988 # correct ring bond data 274: ok 12989 # correct ring bond data 274: ok 12990 # correct ring bond data 274: ok 12991 # correct ring bond data 274: ok 12992 # correct ring bond data 274: ok 12993 # correct ring bond data 274: ok 12994 # correct ring bond data 274: ok 12995 # correct ring bond data 274: ok 12996 # correct ring bond data 274: ok 12997 # correct ring bond data 274: ok 12998 # correct ring bond data 274: ok 12999 # correct ring bond data 274: ok 13000 # SSSR size matches reference 274: ok 13001 # correct SSSR count 274: ok 13002 # ring membership passed 274: ok 13003 # correct SSSR count 274: ok 13004 # ring membership passed 274: ok 13005 # correct SSSR count 274: ok 13006 # ring membership passed 274: ok 13007 # correct SSSR count 274: ok 13008 # ring membership passed 274: ok 13009 # correct SSSR count 274: ok 13010 # ring membership passed 274: ok 13011 # correct SSSR count 274: ok 13012 # ring membership passed 274: ok 13013 # correct SSSR count 274: ok 13014 # ring membership passed 274: ok 13015 # correct SSSR count 274: ok 13016 # ring membership passed 274: ok 13017 # correct SSSR count 274: ok 13018 # ring membership passed 274: ok 13019 # correct SSSR count 274: ok 13020 # ring membership passed 274: ok 13021 # correct SSSR count 274: ok 13022 # ring membership passed 274: ok 13023 # correct SSSR count 274: ok 13024 # ring membership passed 274: ok 13025 # correct SSSR count 274: ok 13026 # ring membership passed 274: ok 13027 # correct ring bond data 274: ok 13028 # correct ring bond data 274: ok 13029 # correct ring bond data 274: ok 13030 # correct ring bond data 274: ok 13031 # correct ring bond data 274: ok 13032 # correct ring bond data 274: ok 13033 # correct ring bond data 274: ok 13034 # correct ring bond data 274: ok 13035 # correct ring bond data 274: ok 13036 # SSSR size matches reference 274: ok 13037 # correct SSSR count 274: ok 13038 # ring membership passed 274: ok 13039 # correct SSSR count 274: ok 13040 # ring membership passed 274: ok 13041 # correct SSSR count 274: ok 13042 # ring membership passed 274: ok 13043 # correct SSSR count 274: ok 13044 # ring membership passed 274: ok 13045 # correct SSSR count 274: ok 13046 # ring membership passed 274: ok 13047 # correct SSSR count 274: ok 13048 # ring membership passed 274: ok 13049 # correct SSSR count 274: ok 13050 # ring membership passed 274: ok 13051 # correct SSSR count 274: ok 13052 # ring membership passed 274: ok 13053 # correct SSSR count 274: ok 13054 # ring membership passed 274: ok 13055 # correct ring bond data 274: ok 13056 # correct ring bond data 274: ok 13057 # correct ring bond data 274: ok 13058 # correct ring bond data 274: ok 13059 # correct ring bond data 274: ok 13060 # correct ring bond data 274: ok 13061 # correct ring bond data 274: ok 13062 # SSSR size matches reference 274: ok 13063 # correct SSSR count 274: ok 13064 # ring membership passed 274: ok 13065 # correct SSSR count 274: ok 13066 # ring membership passed 274: ok 13067 # correct SSSR count 274: ok 13068 # ring membership passed 274: ok 13069 # correct SSSR count 274: ok 13070 # ring membership passed 274: ok 13071 # correct SSSR count 274: ok 13072 # ring membership passed 274: ok 13073 # correct SSSR count 274: ok 13074 # ring membership passed 274: ok 13075 # correct SSSR count 274: ok 13076 # ring membership passed 274: ok 13077 # correct SSSR count 274: ok 13078 # ring membership passed 274: ok 13079 # correct ring bond data 274: ok 13080 # correct ring bond data 274: ok 13081 # correct ring bond data 274: ok 13082 # correct ring bond data 274: ok 13083 # correct ring bond data 274: ok 13084 # correct ring bond data 274: ok 13085 # correct ring bond data 274: ok 13086 # correct ring bond data 274: ok 13087 # correct ring bond data 274: ok 13088 # SSSR size matches reference 274: ok 13089 # correct SSSR count 274: ok 13090 # ring membership passed 274: ok 13091 # correct SSSR count 274: ok 13092 # ring membership passed 274: ok 13093 # correct SSSR count 274: ok 13094 # ring membership passed 274: ok 13095 # correct SSSR count 274: ok 13096 # ring membership passed 274: ok 13097 # correct SSSR count 274: ok 13098 # ring membership passed 274: ok 13099 # correct SSSR count 274: ok 13100 # ring membership passed 274: ok 13101 # correct SSSR count 274: ok 13102 # ring membership passed 274: ok 13103 # correct SSSR count 274: ok 13104 # ring membership passed 274: ok 13105 # correct SSSR count 274: ok 13106 # ring membership passed 274: ok 13107 # correct SSSR count 274: ok 13108 # ring membership passed 274: ok 13109 # correct ring bond data 274: ok 13110 # correct ring bond data 274: ok 13111 # correct ring bond data 274: ok 13112 # correct ring bond data 274: ok 13113 # correct ring bond data 274: ok 13114 # correct ring bond data 274: ok 13115 # correct ring bond data 274: ok 13116 # correct ring bond data 274: ok 13117 # correct ring bond data 274: ok 13118 # correct ring bond data 274: ok 13119 # correct ring bond data 274: ok 13120 # correct ring bond data 274: ok 13121 # SSSR size matches reference 274: ok 13122 # correct SSSR count 274: ok 13123 # ring membership passed 274: ok 13124 # correct SSSR count 274: ok 13125 # ring membership passed 274: ok 13126 # correct SSSR count 274: ok 13127 # ring membership passed 274: ok 13128 # correct SSSR count 274: ok 13129 # ring membership passed 274: ok 13130 # correct SSSR count 274: ok 13131 # ring membership passed 274: ok 13132 # correct SSSR count 274: ok 13133 # ring membership passed 274: ok 13134 # correct SSSR count 274: ok 13135 # ring membership passed 274: ok 13136 # correct SSSR count 274: ok 13137 # ring membership passed 274: ok 13138 # correct SSSR count 274: ok 13139 # ring membership passed 274: ok 13140 # correct SSSR count 274: ok 13141 # ring membership passed 274: ok 13142 # correct SSSR count 274: ok 13143 # ring membership passed 274: ok 13144 # correct SSSR count 274: ok 13145 # ring membership passed 274: ok 13146 # correct SSSR count 274: ok 13147 # ring membership passed 274: ok 13148 # correct ring bond data 274: ok 13149 # correct ring bond data 274: ok 13150 # correct ring bond data 274: ok 13151 # correct ring bond data 274: ok 13152 # correct ring bond data 274: ok 13153 # correct ring bond data 274: ok 13154 # correct ring bond data 274: ok 13155 # correct ring bond data 274: ok 13156 # correct ring bond data 274: ok 13157 # correct ring bond data 274: ok 13158 # correct ring bond data 274: ok 13159 # correct ring bond data 274: ok 13160 # correct ring bond data 274: ok 13161 # correct ring bond data 274: ok 13162 # correct ring bond data 274: ok 13163 # correct ring bond data 274: ok 13164 # correct ring bond data 274: ok 13165 # correct ring bond data 274: ok 13166 # correct ring bond data 274: ok 13167 # correct ring bond data 274: ok 13168 # correct ring bond data 274: ok 13169 # correct ring bond data 274: ok 13170 # correct ring bond data 274: ok 13171 # SSSR size matches reference 274: ok 13172 # correct SSSR count 274: ok 13173 # ring membership passed 274: ok 13174 # correct SSSR count 274: ok 13175 # ring membership passed 274: ok 13176 # correct SSSR count 274: ok 13177 # ring membership passed 274: ok 13178 # correct SSSR count 274: ok 13179 # ring membership passed 274: ok 13180 # correct SSSR count 274: ok 13181 # ring membership passed 274: ok 13182 # correct SSSR count 274: ok 13183 # ring membership passed 274: ok 13184 # correct SSSR count 274: ok 13185 # ring membership passed 274: ok 13186 # correct SSSR count 274: ok 13187 # ring membership passed 274: ok 13188 # correct SSSR count 274: ok 13189 # ring membership passed 274: ok 13190 # correct SSSR count 274: ok 13191 # ring membership passed 274: ok 13192 # correct SSSR count 274: ok 13193 # ring membership passed 274: ok 13194 # correct SSSR count 274: ok 13195 # ring membership passed 274: ok 13196 # correct SSSR count 274: ok 13197 # ring membership passed 274: ok 13198 # correct SSSR count 274: ok 13199 # ring membership passed 274: ok 13200 # correct SSSR count 274: ok 13201 # ring membership passed 274: ok 13202 # correct SSSR count 274: ok 13203 # ring membership passed 274: ok 13204 # correct SSSR count 274: ok 13205 # ring membership passed 274: ok 13206 # correct SSSR count 274: ok 13207 # ring membership passed 274: ok 13208 # correct SSSR count 274: ok 13209 # ring membership passed 274: ok 13210 # correct SSSR count 274: ok 13211 # ring membership passed 274: ok 13212 # correct SSSR count 274: ok 13213 # ring membership passed 274: ok 13214 # correct ring bond data 274: ok 13215 # correct ring bond data 274: ok 13216 # correct ring bond data 274: ok 13217 # correct ring bond data 274: ok 13218 # correct ring bond data 274: ok 13219 # correct ring bond data 274: ok 13220 # correct ring bond data 274: ok 13221 # correct ring bond data 274: ok 13222 # correct ring bond data 274: ok 13223 # correct ring bond data 274: ok 13224 # correct ring bond data 274: ok 13225 # correct ring bond data 274: ok 13226 # SSSR size matches reference 274: ok 13227 # correct SSSR count 274: ok 13228 # ring membership passed 274: ok 13229 # correct SSSR count 274: ok 13230 # ring membership passed 274: ok 13231 # correct SSSR count 274: ok 13232 # ring membership passed 274: ok 13233 # correct SSSR count 274: ok 13234 # ring membership passed 274: ok 13235 # correct SSSR count 274: ok 13236 # ring membership passed 274: ok 13237 # correct SSSR count 274: ok 13238 # ring membership passed 274: ok 13239 # correct SSSR count 274: ok 13240 # ring membership passed 274: ok 13241 # correct SSSR count 274: ok 13242 # ring membership passed 274: ok 13243 # correct SSSR count 274: ok 13244 # ring membership passed 274: ok 13245 # correct SSSR count 274: ok 13246 # ring membership passed 274: ok 13247 # correct SSSR count 274: ok 13248 # ring membership passed 274: ok 13249 # correct SSSR count 274: ok 13250 # ring membership passed 274: ok 13251 # correct ring bond data 274: ok 13252 # correct ring bond data 274: ok 13253 # correct ring bond data 274: ok 13254 # correct ring bond data 274: ok 13255 # correct ring bond data 274: ok 13256 # correct ring bond data 274: ok 13257 # correct ring bond data 274: ok 13258 # correct ring bond data 274: ok 13259 # correct ring bond data 274: ok 13260 # correct ring bond data 274: ok 13261 # correct ring bond data 274: ok 13262 # correct ring bond data 274: ok 13263 # correct ring bond data 274: ok 13264 # correct ring bond data 274: ok 13265 # correct ring bond data 274: ok 13266 # correct ring bond data 274: ok 13267 # correct ring bond data 274: ok 13268 # correct ring bond data 274: ok 13269 # correct ring bond data 274: ok 13270 # correct ring bond data 274: ok 13271 # correct ring bond data 274: ok 13272 # correct ring bond data 274: ok 13273 # SSSR size matches reference 274: ok 13274 # correct SSSR count 274: ok 13275 # ring membership passed 274: ok 13276 # correct SSSR count 274: ok 13277 # ring membership passed 274: ok 13278 # correct SSSR count 274: ok 13279 # ring membership passed 274: ok 13280 # correct SSSR count 274: ok 13281 # ring membership passed 274: ok 13282 # correct SSSR count 274: ok 13283 # ring membership passed 274: ok 13284 # correct SSSR count 274: ok 13285 # ring membership passed 274: ok 13286 # correct SSSR count 274: ok 13287 # ring membership passed 274: ok 13288 # correct SSSR count 274: ok 13289 # ring membership passed 274: ok 13290 # correct SSSR count 274: ok 13291 # ring membership passed 274: ok 13292 # correct SSSR count 274: ok 13293 # ring membership passed 274: ok 13294 # correct SSSR count 274: ok 13295 # ring membership passed 274: ok 13296 # correct SSSR count 274: ok 13297 # ring membership passed 274: ok 13298 # correct SSSR count 274: ok 13299 # ring membership passed 274: ok 13300 # correct SSSR count 274: ok 13301 # ring membership passed 274: ok 13302 # correct SSSR count 274: ok 13303 # ring membership passed 274: ok 13304 # correct SSSR count 274: ok 13305 # ring membership passed 274: ok 13306 # correct SSSR count 274: ok 13307 # ring membership passed 274: ok 13308 # correct SSSR count 274: ok 13309 # ring membership passed 274: ok 13310 # correct SSSR count 274: ok 13311 # ring membership passed 274: ok 13312 # correct ring bond data 274: ok 13313 # correct ring bond data 274: ok 13314 # correct ring bond data 274: ok 13315 # correct ring bond data 274: ok 13316 # correct ring bond data 274: ok 13317 # correct ring bond data 274: ok 13318 # correct ring bond data 274: ok 13319 # correct ring bond data 274: ok 13320 # correct ring bond data 274: ok 13321 # correct ring bond data 274: ok 13322 # SSSR size matches reference 274: ok 13323 # correct SSSR count 274: ok 13324 # ring membership passed 274: ok 13325 # correct SSSR count 274: ok 13326 # ring membership passed 274: ok 13327 # correct SSSR count 274: ok 13328 # ring membership passed 274: ok 13329 # correct SSSR count 274: ok 13330 # ring membership passed 274: ok 13331 # correct SSSR count 274: ok 13332 # ring membership passed 274: ok 13333 # correct SSSR count 274: ok 13334 # ring membership passed 274: ok 13335 # correct SSSR count 274: ok 13336 # ring membership passed 274: ok 13337 # correct SSSR count 274: ok 13338 # ring membership passed 274: ok 13339 # correct SSSR count 274: ok 13340 # ring membership passed 274: ok 13341 # correct SSSR count 274: ok 13342 # ring membership passed 274: ok 13343 # correct ring bond data 274: ok 13344 # correct ring bond data 274: ok 13345 # correct ring bond data 274: ok 13346 # correct ring bond data 274: ok 13347 # correct ring bond data 274: ok 13348 # correct ring bond data 274: ok 13349 # correct ring bond data 274: ok 13350 # correct ring bond data 274: ok 13351 # correct ring bond data 274: ok 13352 # correct ring bond data 274: ok 13353 # correct ring bond data 274: ok 13354 # correct ring bond data 274: ok 13355 # correct ring bond data 274: ok 13356 # correct ring bond data 274: ok 13357 # correct ring bond data 274: ok 13358 # correct ring bond data 274: ok 13359 # correct ring bond data 274: ok 13360 # correct ring bond data 274: ok 13361 # correct ring bond data 274: ok 13362 # correct ring bond data 274: ok 13363 # correct ring bond data 274: ok 13364 # correct ring bond data 274: ok 13365 # correct ring bond data 274: ok 13366 # correct ring bond data 274: ok 13367 # correct ring bond data 274: ok 13368 # correct ring bond data 274: ok 13369 # correct ring bond data 274: ok 13370 # correct ring bond data 274: ok 13371 # correct ring bond data 274: ok 13372 # correct ring bond data 274: ok 13373 # correct ring bond data 274: ok 13374 # correct ring bond data 274: ok 13375 # correct ring bond data 274: ok 13376 # correct ring bond data 274: ok 13377 # correct ring bond data 274: ok 13378 # correct ring bond data 274: ok 13379 # correct ring bond data 274: ok 13380 # correct ring bond data 274: ok 13381 # correct ring bond data 274: ok 13382 # correct ring bond data 274: ok 13383 # correct ring bond data 274: ok 13384 # correct ring bond data 274: ok 13385 # correct ring bond data 274: ok 13386 # correct ring bond data 274: ok 13387 # correct ring bond data 274: ok 13388 # correct ring bond data 274: ok 13389 # correct ring bond data 274: ok 13390 # correct ring bond data 274: ok 13391 # correct ring bond data 274: ok 13392 # correct ring bond data 274: ok 13393 # correct ring bond data 274: ok 13394 # correct ring bond data 274: ok 13395 # correct ring bond data 274: ok 13396 # correct ring bond data 274: ok 13397 # correct ring bond data 274: ok 13398 # correct ring bond data 274: ok 13399 # SSSR size matches reference 274: ok 13400 # correct SSSR count 274: ok 13401 # ring membership passed 274: ok 13402 # correct SSSR count 274: ok 13403 # ring membership passed 274: ok 13404 # correct SSSR count 274: ok 13405 # ring membership passed 274: ok 13406 # correct SSSR count 274: ok 13407 # ring membership passed 274: ok 13408 # correct SSSR count 274: ok 13409 # ring membership passed 274: ok 13410 # correct SSSR count 274: ok 13411 # ring membership passed 274: ok 13412 # correct SSSR count 274: ok 13413 # ring membership passed 274: ok 13414 # correct SSSR count 274: ok 13415 # ring membership passed 274: ok 13416 # correct SSSR count 274: ok 13417 # ring membership passed 274: ok 13418 # correct SSSR count 274: ok 13419 # ring membership passed 274: ok 13420 # correct SSSR count 274: ok 13421 # ring membership passed 274: ok 13422 # correct SSSR count 274: ok 13423 # ring membership passed 274: ok 13424 # correct SSSR count 274: ok 13425 # ring membership passed 274: ok 13426 # correct SSSR count 274: ok 13427 # ring membership passed 274: ok 13428 # correct SSSR count 274: ok 13429 # ring membership passed 274: ok 13430 # correct SSSR count 274: ok 13431 # ring membership passed 274: ok 13432 # correct SSSR count 274: ok 13433 # ring membership passed 274: ok 13434 # correct SSSR count 274: ok 13435 # ring membership passed 274: ok 13436 # correct SSSR count 274: ok 13437 # ring membership passed 274: ok 13438 # correct SSSR count 274: ok 13439 # ring membership passed 274: ok 13440 # correct SSSR count 274: ok 13441 # ring membership passed 274: ok 13442 # correct SSSR count 274: ok 13443 # ring membership passed 274: ok 13444 # correct SSSR count 274: ok 13445 # ring membership passed 274: ok 13446 # correct SSSR count 274: ok 13447 # ring membership passed 274: ok 13448 # correct SSSR count 274: ok 13449 # ring membership passed 274: ok 13450 # correct SSSR count 274: ok 13451 # ring membership passed 274: ok 13452 # correct SSSR count 274: ok 13453 # ring membership passed 274: ok 13454 # correct SSSR count 274: ok 13455 # ring membership passed 274: ok 13456 # correct SSSR count 274: ok 13457 # ring membership passed 274: ok 13458 # correct SSSR count 274: ok 13459 # ring membership passed 274: ok 13460 # correct SSSR count 274: ok 13461 # ring membership passed 274: ok 13462 # correct SSSR count 274: ok 13463 # ring membership passed 274: ok 13464 # correct SSSR count 274: ok 13465 # ring membership passed 274: ok 13466 # correct SSSR count 274: ok 13467 # ring membership passed 274: ok 13468 # correct SSSR count 274: ok 13469 # ring membership passed 274: ok 13470 # correct SSSR count 274: ok 13471 # ring membership passed 274: ok 13472 # correct SSSR count 274: ok 13473 # ring membership passed 274: ok 13474 # correct SSSR count 274: ok 13475 # ring membership passed 274: ok 13476 # correct SSSR count 274: ok 13477 # ring membership passed 274: ok 13478 # correct SSSR count 274: ok 13479 # ring membership passed 274: ok 13480 # correct SSSR count 274: ok 13481 # ring membership passed 274: ok 13482 # correct SSSR count 274: ok 13483 # ring membership passed 274: ok 13484 # correct SSSR count 274: ok 13485 # ring membership passed 274: ok 13486 # correct SSSR count 274: ok 13487 # ring membership passed 274: ok 13488 # correct SSSR count 274: ok 13489 # ring membership passed 274: ok 13490 # correct SSSR count 274: ok 13491 # ring membership passed 274: ok 13492 # correct SSSR count 274: ok 13493 # ring membership passed 274: ok 13494 # correct SSSR count 274: ok 13495 # ring membership passed 274: ok 13496 # correct SSSR count 274: ok 13497 # ring membership passed 274: ok 13498 # correct SSSR count 274: ok 13499 # ring membership passed 274: ok 13500 # correct SSSR count 274: ok 13501 # ring membership passed 274: ok 13502 # correct ring bond data 274: ok 13503 # correct ring bond data 274: ok 13504 # correct ring bond data 274: ok 13505 # correct ring bond data 274: ok 13506 # correct ring bond data 274: ok 13507 # correct ring bond data 274: ok 13508 # correct ring bond data 274: ok 13509 # correct ring bond data 274: ok 13510 # correct ring bond data 274: ok 13511 # correct ring bond data 274: ok 13512 # SSSR size matches reference 274: ok 13513 # correct SSSR count 274: ok 13514 # ring membership passed 274: ok 13515 # correct SSSR count 274: ok 13516 # ring membership passed 274: ok 13517 # correct SSSR count 274: ok 13518 # ring membership passed 274: ok 13519 # correct SSSR count 274: ok 13520 # ring membership passed 274: ok 13521 # correct SSSR count 274: ok 13522 # ring membership passed 274: ok 13523 # correct SSSR count 274: ok 13524 # ring membership passed 274: ok 13525 # correct SSSR count 274: ok 13526 # ring membership passed 274: ok 13527 # correct SSSR count 274: ok 13528 # ring membership passed 274: ok 13529 # correct SSSR count 274: ok 13530 # ring membership passed 274: ok 13531 # correct SSSR count 274: ok 13532 # ring membership passed 274: ok 13533 # correct ring bond data 274: ok 13534 # correct ring bond data 274: ok 13535 # correct ring bond data 274: ok 13536 # correct ring bond data 274: ok 13537 # correct ring bond data 274: ok 13538 # correct ring bond data 274: ok 13539 # correct ring bond data 274: ok 13540 # correct ring bond data 274: ok 13541 # correct ring bond data 274: ok 13542 # correct ring bond data 274: ok 13543 # correct ring bond data 274: ok 13544 # correct ring bond data 274: ok 13545 # correct ring bond data 274: ok 13546 # correct ring bond data 274: ok 13547 # correct ring bond data 274: ok 13548 # correct ring bond data 274: ok 13549 # correct ring bond data 274: ok 13550 # correct ring bond data 274: ok 13551 # correct ring bond data 274: ok 13552 # correct ring bond data 274: ok 13553 # correct ring bond data 274: ok 13554 # correct ring bond data 274: ok 13555 # correct ring bond data 274: ok 13556 # correct ring bond data 274: ok 13557 # correct ring bond data 274: ok 13558 # correct ring bond data 274: ok 13559 # correct ring bond data 274: ok 13560 # correct ring bond data 274: ok 13561 # correct ring bond data 274: ok 13562 # correct ring bond data 274: ok 13563 # correct ring bond data 274: ok 13564 # correct ring bond data 274: ok 13565 # correct ring bond data 274: ok 13566 # correct ring bond data 274: ok 13567 # correct ring bond data 274: ok 13568 # correct ring bond data 274: ok 13569 # correct ring bond data 274: ok 13570 # correct ring bond data 274: ok 13571 # correct ring bond data 274: ok 13572 # correct ring bond data 274: ok 13573 # correct ring bond data 274: ok 13574 # correct ring bond data 274: ok 13575 # correct ring bond data 274: ok 13576 # correct ring bond data 274: ok 13577 # SSSR size matches reference 274: ok 13578 # correct SSSR count 274: ok 13579 # ring membership passed 274: ok 13580 # correct SSSR count 274: ok 13581 # ring membership passed 274: ok 13582 # correct SSSR count 274: ok 13583 # ring membership passed 274: ok 13584 # correct SSSR count 274: ok 13585 # ring membership passed 274: ok 13586 # correct SSSR count 274: ok 13587 # ring membership passed 274: ok 13588 # correct SSSR count 274: ok 13589 # ring membership passed 274: ok 13590 # correct SSSR count 274: ok 13591 # ring membership passed 274: ok 13592 # correct SSSR count 274: ok 13593 # ring membership passed 274: ok 13594 # correct SSSR count 274: ok 13595 # ring membership passed 274: ok 13596 # correct SSSR count 274: ok 13597 # ring membership passed 274: ok 13598 # correct SSSR count 274: ok 13599 # ring membership passed 274: ok 13600 # correct SSSR count 274: ok 13601 # ring membership passed 274: ok 13602 # correct SSSR count 274: ok 13603 # ring membership passed 274: ok 13604 # correct SSSR count 274: ok 13605 # ring membership passed 274: ok 13606 # correct SSSR count 274: ok 13607 # ring membership passed 274: ok 13608 # correct SSSR count 274: ok 13609 # ring membership passed 274: ok 13610 # correct SSSR count 274: ok 13611 # ring membership passed 274: ok 13612 # correct SSSR count 274: ok 13613 # ring membership passed 274: ok 13614 # correct SSSR count 274: ok 13615 # ring membership passed 274: ok 13616 # correct SSSR count 274: ok 13617 # ring membership passed 274: ok 13618 # correct SSSR count 274: ok 13619 # ring membership passed 274: ok 13620 # correct SSSR count 274: ok 13621 # ring membership passed 274: ok 13622 # correct SSSR count 274: ok 13623 # ring membership passed 274: ok 13624 # correct SSSR count 274: ok 13625 # ring membership passed 274: ok 13626 # correct SSSR count 274: ok 13627 # ring membership passed 274: ok 13628 # correct SSSR count 274: ok 13629 # ring membership passed 274: ok 13630 # correct SSSR count 274: ok 13631 # ring membership passed 274: ok 13632 # correct SSSR count 274: ok 13633 # ring membership passed 274: ok 13634 # correct SSSR count 274: ok 13635 # ring membership passed 274: ok 13636 # correct SSSR count 274: ok 13637 # ring membership passed 274: ok 13638 # correct SSSR count 274: ok 13639 # ring membership passed 274: ok 13640 # correct SSSR count 274: ok 13641 # ring membership passed 274: ok 13642 # correct SSSR count 274: ok 13643 # ring membership passed 274: ok 13644 # correct SSSR count 274: ok 13645 # ring membership passed 274: ok 13646 # correct SSSR count 274: ok 13647 # ring membership passed 274: ok 13648 # correct SSSR count 274: ok 13649 # ring membership passed 274: ok 13650 # correct SSSR count 274: ok 13651 # ring membership passed 274: ok 13652 # correct SSSR count 274: ok 13653 # ring membership passed 274: ok 13654 # correct SSSR count 274: ok 13655 # ring membership passed 274: ok 13656 # correct SSSR count 274: ok 13657 # ring membership passed 274: ok 13658 # correct SSSR count 274: ok 13659 # ring membership passed 274: ok 13660 # correct ring bond data 274: ok 13661 # correct ring bond data 274: ok 13662 # correct ring bond data 274: ok 13663 # correct ring bond data 274: ok 13664 # correct ring bond data 274: ok 13665 # correct ring bond data 274: ok 13666 # correct ring bond data 274: ok 13667 # correct ring bond data 274: ok 13668 # correct ring bond data 274: ok 13669 # correct ring bond data 274: ok 13670 # correct ring bond data 274: ok 13671 # correct ring bond data 274: ok 13672 # correct ring bond data 274: ok 13673 # correct ring bond data 274: ok 13674 # correct ring bond data 274: ok 13675 # correct ring bond data 274: ok 13676 # correct ring bond data 274: ok 13677 # correct ring bond data 274: ok 13678 # correct ring bond data 274: ok 13679 # correct ring bond data 274: ok 13680 # correct ring bond data 274: ok 13681 # correct ring bond data 274: ok 13682 # correct ring bond data 274: ok 13683 # correct ring bond data 274: ok 13684 # correct ring bond data 274: ok 13685 # correct ring bond data 274: ok 13686 # correct ring bond data 274: ok 13687 # correct ring bond data 274: ok 13688 # correct ring bond data 274: ok 13689 # correct ring bond data 274: ok 13690 # correct ring bond data 274: ok 13691 # correct ring bond data 274: ok 13692 # correct ring bond data 274: ok 13693 # correct ring bond data 274: ok 13694 # correct ring bond data 274: ok 13695 # correct ring bond data 274: ok 13696 # correct ring bond data 274: ok 13697 # correct ring bond data 274: ok 13698 # SSSR size matches reference 274: ok 13699 # correct SSSR count 274: ok 13700 # ring membership passed 274: ok 13701 # correct SSSR count 274: ok 13702 # ring membership passed 274: ok 13703 # correct SSSR count 274: ok 13704 # ring membership passed 274: ok 13705 # correct SSSR count 274: ok 13706 # ring membership passed 274: ok 13707 # correct SSSR count 274: ok 13708 # ring membership passed 274: ok 13709 # correct SSSR count 274: ok 13710 # ring membership passed 274: ok 13711 # correct SSSR count 274: ok 13712 # ring membership passed 274: ok 13713 # correct SSSR count 274: ok 13714 # ring membership passed 274: ok 13715 # correct SSSR count 274: ok 13716 # ring membership passed 274: ok 13717 # correct SSSR count 274: ok 13718 # ring membership passed 274: ok 13719 # correct SSSR count 274: ok 13720 # ring membership passed 274: ok 13721 # correct SSSR count 274: ok 13722 # ring membership passed 274: ok 13723 # correct SSSR count 274: ok 13724 # ring membership passed 274: ok 13725 # correct SSSR count 274: ok 13726 # ring membership passed 274: ok 13727 # correct SSSR count 274: ok 13728 # ring membership passed 274: ok 13729 # correct SSSR count 274: ok 13730 # ring membership passed 274: ok 13731 # correct SSSR count 274: ok 13732 # ring membership passed 274: ok 13733 # correct SSSR count 274: ok 13734 # ring membership passed 274: ok 13735 # correct SSSR count 274: ok 13736 # ring membership passed 274: ok 13737 # correct SSSR count 274: ok 13738 # ring membership passed 274: ok 13739 # correct SSSR count 274: ok 13740 # ring membership passed 274: ok 13741 # correct SSSR count 274: ok 13742 # ring membership passed 274: ok 13743 # correct SSSR count 274: ok 13744 # ring membership passed 274: ok 13745 # correct SSSR count 274: ok 13746 # ring membership passed 274: ok 13747 # correct SSSR count 274: ok 13748 # ring membership passed 274: ok 13749 # correct SSSR count 274: ok 13750 # ring membership passed 274: ok 13751 # correct SSSR count 274: ok 13752 # ring membership passed 274: ok 13753 # correct SSSR count 274: ok 13754 # ring membership passed 274: ok 13755 # correct SSSR count 274: ok 13756 # ring membership passed 274: ok 13757 # correct SSSR count 274: ok 13758 # ring membership passed 274: ok 13759 # correct SSSR count 274: ok 13760 # ring membership passed 274: ok 13761 # correct SSSR count 274: ok 13762 # ring membership passed 274: ok 13763 # correct SSSR count 274: ok 13764 # ring membership passed 274: ok 13765 # correct SSSR count 274: ok 13766 # ring membership passed 274: ok 13767 # correct SSSR count 274: ok 13768 # ring membership passed 274: ok 13769 # correct SSSR count 274: ok 13770 # ring membership passed 274: ok 13771 # correct ring bond data 274: ok 13772 # correct ring bond data 274: ok 13773 # correct ring bond data 274: ok 13774 # correct ring bond data 274: ok 13775 # correct ring bond data 274: ok 13776 # correct ring bond data 274: ok 13777 # correct ring bond data 274: ok 13778 # correct ring bond data 274: ok 13779 # correct ring bond data 274: ok 13780 # correct ring bond data 274: ok 13781 # correct ring bond data 274: ok 13782 # correct ring bond data 274: ok 13783 # correct ring bond data 274: ok 13784 # correct ring bond data 274: ok 13785 # correct ring bond data 274: ok 13786 # correct ring bond data 274: ok 13787 # correct ring bond data 274: ok 13788 # correct ring bond data 274: ok 13789 # correct ring bond data 274: ok 13790 # correct ring bond data 274: ok 13791 # correct ring bond data 274: ok 13792 # correct ring bond data 274: ok 13793 # correct ring bond data 274: ok 13794 # correct ring bond data 274: ok 13795 # correct ring bond data 274: ok 13796 # correct ring bond data 274: ok 13797 # correct ring bond data 274: ok 13798 # correct ring bond data 274: ok 13799 # correct ring bond data 274: ok 13800 # correct ring bond data 274: ok 13801 # correct ring bond data 274: ok 13802 # correct ring bond data 274: ok 13803 # correct ring bond data 274: ok 13804 # correct ring bond data 274: ok 13805 # correct ring bond data 274: ok 13806 # correct ring bond data 274: ok 13807 # correct ring bond data 274: ok 13808 # correct ring bond data 274: ok 13809 # correct ring bond data 274: ok 13810 # correct ring bond data 274: ok 13811 # correct ring bond data 274: ok 13812 # correct ring bond data 274: ok 13813 # correct ring bond data 274: ok 13814 # correct ring bond data 274: ok 13815 # SSSR size matches reference 274: ok 13816 # correct SSSR count 274: ok 13817 # ring membership passed 274: ok 13818 # correct SSSR count 274: ok 13819 # ring membership passed 274: ok 13820 # correct SSSR count 274: ok 13821 # ring membership passed 274: ok 13822 # correct SSSR count 274: ok 13823 # ring membership passed 274: ok 13824 # correct SSSR count 274: ok 13825 # ring membership passed 274: ok 13826 # correct SSSR count 274: ok 13827 # ring membership passed 274: ok 13828 # correct SSSR count 274: ok 13829 # ring membership passed 274: ok 13830 # correct SSSR count 274: ok 13831 # ring membership passed 274: ok 13832 # correct SSSR count 274: ok 13833 # ring membership passed 274: ok 13834 # correct SSSR count 274: ok 13835 # ring membership passed 274: ok 13836 # correct SSSR count 274: ok 13837 # ring membership passed 274: ok 13838 # correct SSSR count 274: ok 13839 # ring membership passed 274: ok 13840 # correct SSSR count 274: ok 13841 # ring membership passed 274: ok 13842 # correct SSSR count 274: ok 13843 # ring membership passed 274: ok 13844 # correct SSSR count 274: ok 13845 # ring membership passed 274: ok 13846 # correct SSSR count 274: ok 13847 # ring membership passed 274: ok 13848 # correct SSSR count 274: ok 13849 # ring membership passed 274: ok 13850 # correct SSSR count 274: ok 13851 # ring membership passed 274: ok 13852 # correct SSSR count 274: ok 13853 # ring membership passed 274: ok 13854 # correct SSSR count 274: ok 13855 # ring membership passed 274: ok 13856 # correct SSSR count 274: ok 13857 # ring membership passed 274: ok 13858 # correct SSSR count 274: ok 13859 # ring membership passed 274: ok 13860 # correct SSSR count 274: ok 13861 # ring membership passed 274: ok 13862 # correct SSSR count 274: ok 13863 # ring membership passed 274: ok 13864 # correct SSSR count 274: ok 13865 # ring membership passed 274: ok 13866 # correct SSSR count 274: ok 13867 # ring membership passed 274: ok 13868 # correct SSSR count 274: ok 13869 # ring membership passed 274: ok 13870 # correct SSSR count 274: ok 13871 # ring membership passed 274: ok 13872 # correct SSSR count 274: ok 13873 # ring membership passed 274: ok 13874 # correct SSSR count 274: ok 13875 # ring membership passed 274: ok 13876 # correct SSSR count 274: ok 13877 # ring membership passed 274: ok 13878 # correct SSSR count 274: ok 13879 # ring membership passed 274: ok 13880 # correct SSSR count 274: ok 13881 # ring membership passed 274: ok 13882 # correct SSSR count 274: ok 13883 # ring membership passed 274: ok 13884 # correct SSSR count 274: ok 13885 # ring membership passed 274: ok 13886 # correct SSSR count 274: ok 13887 # ring membership passed 274: ok 13888 # correct SSSR count 274: ok 13889 # ring membership passed 274: ok 13890 # correct SSSR count 274: ok 13891 # ring membership passed 274: ok 13892 # correct SSSR count 274: ok 13893 # ring membership passed 274: ok 13894 # correct SSSR count 274: ok 13895 # ring membership passed 274: ok 13896 # correct ring bond data 274: ok 13897 # correct ring bond data 274: ok 13898 # correct ring bond data 274: ok 13899 # correct ring bond data 274: ok 13900 # correct ring bond data 274: ok 13901 # correct ring bond data 274: ok 13902 # correct ring bond data 274: ok 13903 # SSSR size matches reference 274: ok 13904 # correct SSSR count 274: ok 13905 # ring membership passed 274: ok 13906 # correct SSSR count 274: ok 13907 # ring membership passed 274: ok 13908 # correct SSSR count 274: ok 13909 # ring membership passed 274: ok 13910 # correct SSSR count 274: ok 13911 # ring membership passed 274: ok 13912 # correct SSSR count 274: ok 13913 # ring membership passed 274: ok 13914 # correct SSSR count 274: ok 13915 # ring membership passed 274: ok 13916 # correct SSSR count 274: ok 13917 # ring membership passed 274: ok 13918 # correct SSSR count 274: ok 13919 # ring membership passed 274: ok 13920 # correct ring bond data 274: ok 13921 # correct ring bond data 274: ok 13922 # correct ring bond data 274: ok 13923 # correct ring bond data 274: ok 13924 # correct ring bond data 274: ok 13925 # correct ring bond data 274: ok 13926 # correct ring bond data 274: ok 13927 # correct ring bond data 274: ok 13928 # correct ring bond data 274: ok 13929 # correct ring bond data 274: ok 13930 # correct ring bond data 274: ok 13931 # correct ring bond data 274: ok 13932 # correct ring bond data 274: ok 13933 # correct ring bond data 274: ok 13934 # correct ring bond data 274: ok 13935 # correct ring bond data 274: ok 13936 # correct ring bond data 274: ok 13937 # SSSR size matches reference 274: ok 13938 # correct SSSR count 274: ok 13939 # ring membership passed 274: ok 13940 # correct SSSR count 274: ok 13941 # ring membership passed 274: ok 13942 # correct SSSR count 274: ok 13943 # ring membership passed 274: ok 13944 # correct SSSR count 274: ok 13945 # ring membership passed 274: ok 13946 # correct SSSR count 274: ok 13947 # ring membership passed 274: ok 13948 # correct SSSR count 274: ok 13949 # ring membership passed 274: ok 13950 # correct SSSR count 274: ok 13951 # ring membership passed 274: ok 13952 # correct SSSR count 274: ok 13953 # ring membership passed 274: ok 13954 # correct SSSR count 274: ok 13955 # ring membership passed 274: ok 13956 # correct SSSR count 274: ok 13957 # ring membership passed 274: ok 13958 # correct SSSR count 274: ok 13959 # ring membership passed 274: ok 13960 # correct SSSR count 274: ok 13961 # ring membership passed 274: ok 13962 # correct SSSR count 274: ok 13963 # ring membership passed 274: ok 13964 # correct SSSR count 274: ok 13965 # ring membership passed 274: ok 13966 # correct SSSR count 274: ok 13967 # ring membership passed 274: ok 13968 # correct SSSR count 274: ok 13969 # ring membership passed 274: ok 13970 # correct ring bond data 274: ok 13971 # correct ring bond data 274: ok 13972 # correct ring bond data 274: ok 13973 # correct ring bond data 274: ok 13974 # correct ring bond data 274: ok 13975 # correct ring bond data 274: ok 13976 # correct ring bond data 274: ok 13977 # correct ring bond data 274: ok 13978 # correct ring bond data 274: ok 13979 # correct ring bond data 274: ok 13980 # SSSR size matches reference 274: ok 13981 # correct SSSR count 274: ok 13982 # ring membership passed 274: ok 13983 # correct SSSR count 274: ok 13984 # ring membership passed 274: ok 13985 # correct SSSR count 274: ok 13986 # ring membership passed 274: ok 13987 # correct SSSR count 274: ok 13988 # ring membership passed 274: ok 13989 # correct SSSR count 274: ok 13990 # ring membership passed 274: ok 13991 # correct SSSR count 274: ok 13992 # ring membership passed 274: ok 13993 # correct SSSR count 274: ok 13994 # ring membership passed 274: ok 13995 # correct SSSR count 274: ok 13996 # ring membership passed 274: ok 13997 # correct SSSR count 274: ok 13998 # ring membership passed 274: ok 13999 # correct SSSR count 274: ok 14000 # ring membership passed 274: ok 14001 # correct ring bond data 274: ok 14002 # correct ring bond data 274: ok 14003 # correct ring bond data 274: ok 14004 # correct ring bond data 274: ok 14005 # correct ring bond data 274: ok 14006 # correct ring bond data 274: ok 14007 # correct ring bond data 274: ok 14008 # correct ring bond data 274: ok 14009 # correct ring bond data 274: ok 14010 # correct ring bond data 274: ok 14011 # correct ring bond data 274: ok 14012 # correct ring bond data 274: ok 14013 # correct ring bond data 274: ok 14014 # correct ring bond data 274: ok 14015 # correct ring bond data 274: ok 14016 # correct ring bond data 274: ok 14017 # correct ring bond data 274: ok 14018 # SSSR size matches reference 274: ok 14019 # correct SSSR count 274: ok 14020 # ring membership passed 274: ok 14021 # correct SSSR count 274: ok 14022 # ring membership passed 274: ok 14023 # correct SSSR count 274: ok 14024 # ring membership passed 274: ok 14025 # correct SSSR count 274: ok 14026 # ring membership passed 274: ok 14027 # correct SSSR count 274: ok 14028 # ring membership passed 274: ok 14029 # correct SSSR count 274: ok 14030 # ring membership passed 274: ok 14031 # correct SSSR count 274: ok 14032 # ring membership passed 274: ok 14033 # correct SSSR count 274: ok 14034 # ring membership passed 274: ok 14035 # correct SSSR count 274: ok 14036 # ring membership passed 274: ok 14037 # correct SSSR count 274: ok 14038 # ring membership passed 274: ok 14039 # correct SSSR count 274: ok 14040 # ring membership passed 274: ok 14041 # correct SSSR count 274: ok 14042 # ring membership passed 274: ok 14043 # correct SSSR count 274: ok 14044 # ring membership passed 274: ok 14045 # correct SSSR count 274: ok 14046 # ring membership passed 274: ok 14047 # correct SSSR count 274: ok 14048 # ring membership passed 274: ok 14049 # correct SSSR count 274: ok 14050 # ring membership passed 274: ok 14051 # correct ring bond data 274: ok 14052 # correct ring bond data 274: ok 14053 # correct ring bond data 274: ok 14054 # correct ring bond data 274: ok 14055 # correct ring bond data 274: ok 14056 # correct ring bond data 274: ok 14057 # correct ring bond data 274: ok 14058 # correct ring bond data 274: ok 14059 # correct ring bond data 274: ok 14060 # correct ring bond data 274: ok 14061 # correct ring bond data 274: ok 14062 # correct ring bond data 274: ok 14063 # correct ring bond data 274: ok 14064 # correct ring bond data 274: ok 14065 # correct ring bond data 274: ok 14066 # correct ring bond data 274: ok 14067 # correct ring bond data 274: ok 14068 # correct ring bond data 274: ok 14069 # correct ring bond data 274: ok 14070 # correct ring bond data 274: ok 14071 # correct ring bond data 274: ok 14072 # SSSR size matches reference 274: ok 14073 # correct SSSR count 274: ok 14074 # ring membership passed 274: ok 14075 # correct SSSR count 274: ok 14076 # ring membership passed 274: ok 14077 # correct SSSR count 274: ok 14078 # ring membership passed 274: ok 14079 # correct SSSR count 274: ok 14080 # ring membership passed 274: ok 14081 # correct SSSR count 274: ok 14082 # ring membership passed 274: ok 14083 # correct SSSR count 274: ok 14084 # ring membership passed 274: ok 14085 # correct SSSR count 274: ok 14086 # ring membership passed 274: ok 14087 # correct SSSR count 274: ok 14088 # ring membership passed 274: ok 14089 # correct SSSR count 274: ok 14090 # ring membership passed 274: ok 14091 # correct SSSR count 274: ok 14092 # ring membership passed 274: ok 14093 # correct SSSR count 274: ok 14094 # ring membership passed 274: ok 14095 # correct SSSR count 274: ok 14096 # ring membership passed 274: ok 14097 # correct SSSR count 274: ok 14098 # ring membership passed 274: ok 14099 # correct SSSR count 274: ok 14100 # ring membership passed 274: ok 14101 # correct SSSR count 274: ok 14102 # ring membership passed 274: ok 14103 # correct SSSR count 274: ok 14104 # ring membership passed 274: ok 14105 # correct SSSR count 274: ok 14106 # ring membership passed 274: ok 14107 # correct SSSR count 274: ok 14108 # ring membership passed 274: ok 14109 # correct SSSR count 274: ok 14110 # ring membership passed 274: ok 14111 # correct ring bond data 274: ok 14112 # correct ring bond data 274: ok 14113 # correct ring bond data 274: ok 14114 # correct ring bond data 274: ok 14115 # correct ring bond data 274: ok 14116 # correct ring bond data 274: ok 14117 # correct ring bond data 274: ok 14118 # correct ring bond data 274: ok 14119 # correct ring bond data 274: ok 14120 # correct ring bond data 274: ok 14121 # correct ring bond data 274: ok 14122 # correct ring bond data 274: ok 14123 # correct ring bond data 274: ok 14124 # correct ring bond data 274: ok 14125 # correct ring bond data 274: ok 14126 # SSSR size matches reference 274: ok 14127 # correct SSSR count 274: ok 14128 # ring membership passed 274: ok 14129 # correct SSSR count 274: ok 14130 # ring membership passed 274: ok 14131 # correct SSSR count 274: ok 14132 # ring membership passed 274: ok 14133 # correct SSSR count 274: ok 14134 # ring membership passed 274: ok 14135 # correct SSSR count 274: ok 14136 # ring membership passed 274: ok 14137 # correct SSSR count 274: ok 14138 # ring membership passed 274: ok 14139 # correct SSSR count 274: ok 14140 # ring membership passed 274: ok 14141 # correct SSSR count 274: ok 14142 # ring membership passed 274: ok 14143 # correct SSSR count 274: ok 14144 # ring membership passed 274: ok 14145 # correct SSSR count 274: ok 14146 # ring membership passed 274: ok 14147 # correct SSSR count 274: ok 14148 # ring membership passed 274: ok 14149 # correct SSSR count 274: ok 14150 # ring membership passed 274: ok 14151 # correct SSSR count 274: ok 14152 # ring membership passed 274: ok 14153 # correct SSSR count 274: ok 14154 # ring membership passed 274: ok 14155 # correct ring bond data 274: ok 14156 # correct ring bond data 274: ok 14157 # correct ring bond data 274: ok 14158 # correct ring bond data 274: ok 14159 # correct ring bond data 274: ok 14160 # correct ring bond data 274: ok 14161 # correct ring bond data 274: ok 14162 # correct ring bond data 274: ok 14163 # correct ring bond data 274: ok 14164 # correct ring bond data 274: ok 14165 # correct ring bond data 274: ok 14166 # SSSR size matches reference 274: ok 14167 # correct SSSR count 274: ok 14168 # ring membership passed 274: ok 14169 # correct SSSR count 274: ok 14170 # ring membership passed 274: ok 14171 # correct SSSR count 274: ok 14172 # ring membership passed 274: ok 14173 # correct SSSR count 274: ok 14174 # ring membership passed 274: ok 14175 # correct SSSR count 274: ok 14176 # ring membership passed 274: ok 14177 # correct SSSR count 274: ok 14178 # ring membership passed 274: ok 14179 # correct SSSR count 274: ok 14180 # ring membership passed 274: ok 14181 # correct SSSR count 274: ok 14182 # ring membership passed 274: ok 14183 # correct SSSR count 274: ok 14184 # ring membership passed 274: ok 14185 # correct SSSR count 274: ok 14186 # ring membership passed 274: ok 14187 # correct SSSR count 274: ok 14188 # ring membership passed 274: ok 14189 # correct ring bond data 274: ok 14190 # correct ring bond data 274: ok 14191 # correct ring bond data 274: ok 14192 # correct ring bond data 274: ok 14193 # correct ring bond data 274: ok 14194 # correct ring bond data 274: ok 14195 # correct ring bond data 274: ok 14196 # correct ring bond data 274: ok 14197 # correct ring bond data 274: ok 14198 # correct ring bond data 274: ok 14199 # correct ring bond data 274: ok 14200 # correct ring bond data 274: ok 14201 # correct ring bond data 274: ok 14202 # correct ring bond data 274: ok 14203 # correct ring bond data 274: ok 14204 # correct ring bond data 274: ok 14205 # correct ring bond data 274: ok 14206 # correct ring bond data 274: ok 14207 # correct ring bond data 274: ok 14208 # correct ring bond data 274: ok 14209 # correct ring bond data 274: ok 14210 # correct ring bond data 274: ok 14211 # SSSR size matches reference 274: ok 14212 # correct SSSR count 274: ok 14213 # ring membership passed 274: ok 14214 # correct SSSR count 274: ok 14215 # ring membership passed 274: ok 14216 # correct SSSR count 274: ok 14217 # ring membership passed 274: ok 14218 # correct SSSR count 274: ok 14219 # ring membership passed 274: ok 14220 # correct SSSR count 274: ok 14221 # ring membership passed 274: ok 14222 # correct SSSR count 274: ok 14223 # ring membership passed 274: ok 14224 # correct SSSR count 274: ok 14225 # ring membership passed 274: ok 14226 # correct SSSR count 274: ok 14227 # ring membership passed 274: ok 14228 # correct SSSR count 274: ok 14229 # ring membership passed 274: ok 14230 # correct SSSR count 274: ok 14231 # ring membership passed 274: ok 14232 # correct SSSR count 274: ok 14233 # ring membership passed 274: ok 14234 # correct SSSR count 274: ok 14235 # ring membership passed 274: ok 14236 # correct SSSR count 274: ok 14237 # ring membership passed 274: ok 14238 # correct SSSR count 274: ok 14239 # ring membership passed 274: ok 14240 # correct SSSR count 274: ok 14241 # ring membership passed 274: ok 14242 # correct SSSR count 274: ok 14243 # ring membership passed 274: ok 14244 # correct SSSR count 274: ok 14245 # ring membership passed 274: ok 14246 # correct SSSR count 274: ok 14247 # ring membership passed 274: ok 14248 # correct SSSR count 274: ok 14249 # ring membership passed 274: ok 14250 # correct ring bond data 274: ok 14251 # correct ring bond data 274: ok 14252 # correct ring bond data 274: ok 14253 # correct ring bond data 274: ok 14254 # correct ring bond data 274: ok 14255 # correct ring bond data 274: ok 14256 # correct ring bond data 274: ok 14257 # correct ring bond data 274: ok 14258 # correct ring bond data 274: ok 14259 # correct ring bond data 274: ok 14260 # correct ring bond data 274: ok 14261 # correct ring bond data 274: ok 14262 # correct ring bond data 274: ok 14263 # correct ring bond data 274: ok 14264 # correct ring bond data 274: ok 14265 # correct ring bond data 274: ok 14266 # correct ring bond data 274: ok 14267 # correct ring bond data 274: ok 14268 # correct ring bond data 274: ok 14269 # correct ring bond data 274: ok 14270 # correct ring bond data 274: ok 14271 # correct ring bond data 274: ok 14272 # correct ring bond data 274: ok 14273 # correct ring bond data 274: ok 14274 # correct ring bond data 274: ok 14275 # correct ring bond data 274: ok 14276 # correct ring bond data 274: ok 14277 # correct ring bond data 274: ok 14278 # correct ring bond data 274: ok 14279 # correct ring bond data 274: ok 14280 # correct ring bond data 274: ok 14281 # SSSR size matches reference 274: ok 14282 # correct SSSR count 274: ok 14283 # ring membership passed 274: ok 14284 # correct SSSR count 274: ok 14285 # ring membership passed 274: ok 14286 # correct SSSR count 274: ok 14287 # ring membership passed 274: ok 14288 # correct SSSR count 274: ok 14289 # ring membership passed 274: ok 14290 # correct SSSR count 274: ok 14291 # ring membership passed 274: ok 14292 # correct SSSR count 274: ok 14293 # ring membership passed 274: ok 14294 # correct SSSR count 274: ok 14295 # ring membership passed 274: ok 14296 # correct SSSR count 274: ok 14297 # ring membership passed 274: ok 14298 # correct SSSR count 274: ok 14299 # ring membership passed 274: ok 14300 # correct SSSR count 274: ok 14301 # ring membership passed 274: ok 14302 # correct SSSR count 274: ok 14303 # ring membership passed 274: ok 14304 # correct SSSR count 274: ok 14305 # ring membership passed 274: ok 14306 # correct SSSR count 274: ok 14307 # ring membership passed 274: ok 14308 # correct SSSR count 274: ok 14309 # ring membership passed 274: ok 14310 # correct SSSR count 274: ok 14311 # ring membership passed 274: ok 14312 # correct SSSR count 274: ok 14313 # ring membership passed 274: ok 14314 # correct SSSR count 274: ok 14315 # ring membership passed 274: ok 14316 # correct SSSR count 274: ok 14317 # ring membership passed 274: ok 14318 # correct SSSR count 274: ok 14319 # ring membership passed 274: ok 14320 # correct SSSR count 274: ok 14321 # ring membership passed 274: ok 14322 # correct SSSR count 274: ok 14323 # ring membership passed 274: ok 14324 # correct SSSR count 274: ok 14325 # ring membership passed 274: ok 14326 # correct SSSR count 274: ok 14327 # ring membership passed 274: ok 14328 # correct SSSR count 274: ok 14329 # ring membership passed 274: ok 14330 # correct SSSR count 274: ok 14331 # ring membership passed 274: ok 14332 # correct SSSR count 274: ok 14333 # ring membership passed 274: ok 14334 # correct SSSR count 274: ok 14335 # ring membership passed 274: ok 14336 # correct SSSR count 274: ok 14337 # ring membership passed 274: ok 14338 # correct ring bond data 274: ok 14339 # correct ring bond data 274: ok 14340 # correct ring bond data 274: ok 14341 # correct ring bond data 274: ok 14342 # correct ring bond data 274: ok 14343 # correct ring bond data 274: ok 14344 # correct ring bond data 274: ok 14345 # correct ring bond data 274: ok 14346 # correct ring bond data 274: ok 14347 # correct ring bond data 274: ok 14348 # correct ring bond data 274: ok 14349 # correct ring bond data 274: ok 14350 # correct ring bond data 274: ok 14351 # correct ring bond data 274: ok 14352 # correct ring bond data 274: ok 14353 # correct ring bond data 274: ok 14354 # correct ring bond data 274: ok 14355 # correct ring bond data 274: ok 14356 # correct ring bond data 274: ok 14357 # correct ring bond data 274: ok 14358 # correct ring bond data 274: ok 14359 # correct ring bond data 274: ok 14360 # correct ring bond data 274: ok 14361 # SSSR size matches reference 274: ok 14362 # correct SSSR count 274: ok 14363 # ring membership passed 274: ok 14364 # correct SSSR count 274: ok 14365 # ring membership passed 274: ok 14366 # correct SSSR count 274: ok 14367 # ring membership passed 274: ok 14368 # correct SSSR count 274: ok 14369 # ring membership passed 274: ok 14370 # correct SSSR count 274: ok 14371 # ring membership passed 274: ok 14372 # correct SSSR count 274: ok 14373 # ring membership passed 274: ok 14374 # correct SSSR count 274: ok 14375 # ring membership passed 274: ok 14376 # correct SSSR count 274: ok 14377 # ring membership passed 274: ok 14378 # correct SSSR count 274: ok 14379 # ring membership passed 274: ok 14380 # correct SSSR count 274: ok 14381 # ring membership passed 274: ok 14382 # correct SSSR count 274: ok 14383 # ring membership passed 274: ok 14384 # correct SSSR count 274: ok 14385 # ring membership passed 274: ok 14386 # correct SSSR count 274: ok 14387 # ring membership passed 274: ok 14388 # correct SSSR count 274: ok 14389 # ring membership passed 274: ok 14390 # correct SSSR count 274: ok 14391 # ring membership passed 274: ok 14392 # correct SSSR count 274: ok 14393 # ring membership passed 274: ok 14394 # correct SSSR count 274: ok 14395 # ring membership passed 274: ok 14396 # correct SSSR count 274: ok 14397 # ring membership passed 274: ok 14398 # correct SSSR count 274: ok 14399 # ring membership passed 274: ok 14400 # correct SSSR count 274: ok 14401 # ring membership passed 274: ok 14402 # correct SSSR count 274: ok 14403 # ring membership passed 274: ok 14404 # correct SSSR count 274: ok 14405 # ring membership passed 274: ok 14406 # correct ring bond data 274: ok 14407 # correct ring bond data 274: ok 14408 # correct ring bond data 274: ok 14409 # correct ring bond data 274: ok 14410 # correct ring bond data 274: ok 14411 # correct ring bond data 274: ok 14412 # correct ring bond data 274: ok 14413 # correct ring bond data 274: ok 14414 # correct ring bond data 274: ok 14415 # correct ring bond data 274: ok 14416 # correct ring bond data 274: ok 14417 # correct ring bond data 274: ok 14418 # correct ring bond data 274: ok 14419 # correct ring bond data 274: ok 14420 # correct ring bond data 274: ok 14421 # correct ring bond data 274: ok 14422 # SSSR size matches reference 274: ok 14423 # correct SSSR count 274: ok 14424 # ring membership passed 274: ok 14425 # correct SSSR count 274: ok 14426 # ring membership passed 274: ok 14427 # correct SSSR count 274: ok 14428 # ring membership passed 274: ok 14429 # correct SSSR count 274: ok 14430 # ring membership passed 274: ok 14431 # correct SSSR count 274: ok 14432 # ring membership passed 274: ok 14433 # correct SSSR count 274: ok 14434 # ring membership passed 274: ok 14435 # correct SSSR count 274: ok 14436 # ring membership passed 274: ok 14437 # correct SSSR count 274: ok 14438 # ring membership passed 274: ok 14439 # correct SSSR count 274: ok 14440 # ring membership passed 274: ok 14441 # correct SSSR count 274: ok 14442 # ring membership passed 274: ok 14443 # correct SSSR count 274: ok 14444 # ring membership passed 274: ok 14445 # correct SSSR count 274: ok 14446 # ring membership passed 274: ok 14447 # correct SSSR count 274: ok 14448 # ring membership passed 274: ok 14449 # correct SSSR count 274: ok 14450 # ring membership passed 274: ok 14451 # correct SSSR count 274: ok 14452 # ring membership passed 274: ok 14453 # correct ring bond data 274: ok 14454 # correct ring bond data 274: ok 14455 # correct ring bond data 274: ok 14456 # correct ring bond data 274: ok 14457 # correct ring bond data 274: ok 14458 # correct ring bond data 274: ok 14459 # correct ring bond data 274: ok 14460 # correct ring bond data 274: ok 14461 # correct ring bond data 274: ok 14462 # correct ring bond data 274: ok 14463 # correct ring bond data 274: ok 14464 # correct ring bond data 274: ok 14465 # correct ring bond data 274: ok 14466 # correct ring bond data 274: ok 14467 # correct ring bond data 274: ok 14468 # correct ring bond data 274: ok 14469 # correct ring bond data 274: ok 14470 # correct ring bond data 274: ok 14471 # correct ring bond data 274: ok 14472 # correct ring bond data 274: ok 14473 # correct ring bond data 274: ok 14474 # correct ring bond data 274: ok 14475 # correct ring bond data 274: ok 14476 # correct ring bond data 274: ok 14477 # correct ring bond data 274: ok 14478 # correct ring bond data 274: ok 14479 # correct ring bond data 274: ok 14480 # correct ring bond data 274: ok 14481 # correct ring bond data 274: ok 14482 # correct ring bond data 274: ok 14483 # correct ring bond data 274: ok 14484 # correct ring bond data 274: ok 14485 # correct ring bond data 274: ok 14486 # correct ring bond data 274: ok 14487 # correct ring bond data 274: ok 14488 # correct ring bond data 274: ok 14489 # correct ring bond data 274: ok 14490 # correct ring bond data 274: ok 14491 # correct ring bond data 274: ok 14492 # correct ring bond data 274: ok 14493 # correct ring bond data 274: ok 14494 # correct ring bond data 274: ok 14495 # correct ring bond data 274: ok 14496 # correct ring bond data 274: ok 14497 # correct ring bond data 274: ok 14498 # correct ring bond data 274: ok 14499 # correct ring bond data 274: ok 14500 # SSSR size matches reference 274: ok 14501 # correct SSSR count 274: ok 14502 # ring membership passed 274: ok 14503 # correct SSSR count 274: ok 14504 # ring membership passed 274: ok 14505 # correct SSSR count 274: ok 14506 # ring membership passed 274: ok 14507 # correct SSSR count 274: ok 14508 # ring membership passed 274: ok 14509 # correct SSSR count 274: ok 14510 # ring membership passed 274: ok 14511 # correct SSSR count 274: ok 14512 # ring membership passed 274: ok 14513 # correct SSSR count 274: ok 14514 # ring membership passed 274: ok 14515 # correct SSSR count 274: ok 14516 # ring membership passed 274: ok 14517 # correct SSSR count 274: ok 14518 # ring membership passed 274: ok 14519 # correct SSSR count 274: ok 14520 # ring membership passed 274: ok 14521 # correct SSSR count 274: ok 14522 # ring membership passed 274: ok 14523 # correct SSSR count 274: ok 14524 # ring membership passed 274: ok 14525 # correct SSSR count 274: ok 14526 # ring membership passed 274: ok 14527 # correct SSSR count 274: ok 14528 # ring membership passed 274: ok 14529 # correct SSSR count 274: ok 14530 # ring membership passed 274: ok 14531 # correct SSSR count 274: ok 14532 # ring membership passed 274: ok 14533 # correct SSSR count 274: ok 14534 # ring membership passed 274: ok 14535 # correct SSSR count 274: ok 14536 # ring membership passed 274: ok 14537 # correct SSSR count 274: ok 14538 # ring membership passed 274: ok 14539 # correct SSSR count 274: ok 14540 # ring membership passed 274: ok 14541 # correct SSSR count 274: ok 14542 # ring membership passed 274: ok 14543 # correct SSSR count 274: ok 14544 # ring membership passed 274: ok 14545 # correct SSSR count 274: ok 14546 # ring membership passed 274: ok 14547 # correct SSSR count 274: ok 14548 # ring membership passed 274: ok 14549 # correct SSSR count 274: ok 14550 # ring membership passed 274: ok 14551 # correct SSSR count 274: ok 14552 # ring membership passed 274: ok 14553 # correct SSSR count 274: ok 14554 # ring membership passed 274: ok 14555 # correct SSSR count 274: ok 14556 # ring membership passed 274: ok 14557 # correct SSSR count 274: ok 14558 # ring membership passed 274: ok 14559 # correct SSSR count 274: ok 14560 # ring membership passed 274: ok 14561 # correct SSSR count 274: ok 14562 # ring membership passed 274: ok 14563 # correct SSSR count 274: ok 14564 # ring membership passed 274: ok 14565 # correct SSSR count 274: ok 14566 # ring membership passed 274: ok 14567 # correct SSSR count 274: ok 14568 # ring membership passed 274: ok 14569 # correct SSSR count 274: ok 14570 # ring membership passed 274: ok 14571 # correct SSSR count 274: ok 14572 # ring membership passed 274: ok 14573 # correct SSSR count 274: ok 14574 # ring membership passed 274: ok 14575 # correct SSSR count 274: ok 14576 # ring membership passed 274: ok 14577 # correct SSSR count 274: ok 14578 # ring membership passed 274: ok 14579 # correct SSSR count 274: ok 14580 # ring membership passed 274: ok 14581 # correct SSSR count 274: ok 14582 # ring membership passed 274: ok 14583 # correct SSSR count 274: ok 14584 # ring membership passed 274: ok 14585 # correct SSSR count 274: ok 14586 # ring membership passed 274: ok 14587 # correct SSSR count 274: ok 14588 # ring membership passed 274: ok 14589 # correct SSSR count 274: ok 14590 # ring membership passed 274: ok 14591 # correct ring bond data 274: ok 14592 # correct ring bond data 274: ok 14593 # correct ring bond data 274: ok 14594 # correct ring bond data 274: ok 14595 # correct ring bond data 274: ok 14596 # correct ring bond data 274: ok 14597 # correct ring bond data 274: ok 14598 # correct ring bond data 274: ok 14599 # correct ring bond data 274: ok 14600 # correct ring bond data 274: ok 14601 # correct ring bond data 274: ok 14602 # correct ring bond data 274: ok 14603 # correct ring bond data 274: ok 14604 # correct ring bond data 274: ok 14605 # correct ring bond data 274: ok 14606 # correct ring bond data 274: ok 14607 # correct ring bond data 274: ok 14608 # correct ring bond data 274: ok 14609 # correct ring bond data 274: ok 14610 # correct ring bond data 274: ok 14611 # correct ring bond data 274: ok 14612 # correct ring bond data 274: ok 14613 # correct ring bond data 274: ok 14614 # correct ring bond data 274: ok 14615 # correct ring bond data 274: ok 14616 # correct ring bond data 274: ok 14617 # correct ring bond data 274: ok 14618 # correct ring bond data 274: ok 14619 # correct ring bond data 274: ok 14620 # correct ring bond data 274: ok 14621 # correct ring bond data 274: ok 14622 # correct ring bond data 274: ok 14623 # correct ring bond data 274: ok 14624 # correct ring bond data 274: ok 14625 # correct ring bond data 274: ok 14626 # correct ring bond data 274: ok 14627 # correct ring bond data 274: ok 14628 # SSSR size matches reference 274: ok 14629 # correct SSSR count 274: ok 14630 # ring membership passed 274: ok 14631 # correct SSSR count 274: ok 14632 # ring membership passed 274: ok 14633 # correct SSSR count 274: ok 14634 # ring membership passed 274: ok 14635 # correct SSSR count 274: ok 14636 # ring membership passed 274: ok 14637 # correct SSSR count 274: ok 14638 # ring membership passed 274: ok 14639 # correct SSSR count 274: ok 14640 # ring membership passed 274: ok 14641 # correct SSSR count 274: ok 14642 # ring membership passed 274: ok 14643 # correct SSSR count 274: ok 14644 # ring membership passed 274: ok 14645 # correct SSSR count 274: ok 14646 # ring membership passed 274: ok 14647 # correct SSSR count 274: ok 14648 # ring membership passed 274: ok 14649 # correct SSSR count 274: ok 14650 # ring membership passed 274: ok 14651 # correct SSSR count 274: ok 14652 # ring membership passed 274: ok 14653 # correct SSSR count 274: ok 14654 # ring membership passed 274: ok 14655 # correct SSSR count 274: ok 14656 # ring membership passed 274: ok 14657 # correct SSSR count 274: ok 14658 # ring membership passed 274: ok 14659 # correct SSSR count 274: ok 14660 # ring membership passed 274: ok 14661 # correct SSSR count 274: ok 14662 # ring membership passed 274: ok 14663 # correct SSSR count 274: ok 14664 # ring membership passed 274: ok 14665 # correct SSSR count 274: ok 14666 # ring membership passed 274: ok 14667 # correct SSSR count 274: ok 14668 # ring membership passed 274: ok 14669 # correct SSSR count 274: ok 14670 # ring membership passed 274: ok 14671 # correct SSSR count 274: ok 14672 # ring membership passed 274: ok 14673 # correct SSSR count 274: ok 14674 # ring membership passed 274: ok 14675 # correct SSSR count 274: ok 14676 # ring membership passed 274: ok 14677 # correct SSSR count 274: ok 14678 # ring membership passed 274: ok 14679 # correct SSSR count 274: ok 14680 # ring membership passed 274: ok 14681 # correct SSSR count 274: ok 14682 # ring membership passed 274: ok 14683 # correct SSSR count 274: ok 14684 # ring membership passed 274: ok 14685 # correct SSSR count 274: ok 14686 # ring membership passed 274: ok 14687 # correct SSSR count 274: ok 14688 # ring membership passed 274: ok 14689 # correct SSSR count 274: ok 14690 # ring membership passed 274: ok 14691 # correct SSSR count 274: ok 14692 # ring membership passed 274: ok 14693 # correct SSSR count 274: ok 14694 # ring membership passed 274: ok 14695 # correct ring bond data 274: ok 14696 # correct ring bond data 274: ok 14697 # correct ring bond data 274: ok 14698 # correct ring bond data 274: ok 14699 # correct ring bond data 274: ok 14700 # correct ring bond data 274: ok 14701 # correct ring bond data 274: ok 14702 # correct ring bond data 274: ok 14703 # correct ring bond data 274: ok 14704 # correct ring bond data 274: ok 14705 # correct ring bond data 274: ok 14706 # correct ring bond data 274: ok 14707 # correct ring bond data 274: ok 14708 # correct ring bond data 274: ok 14709 # correct ring bond data 274: ok 14710 # correct ring bond data 274: ok 14711 # correct ring bond data 274: ok 14712 # correct ring bond data 274: ok 14713 # correct ring bond data 274: ok 14714 # correct ring bond data 274: ok 14715 # correct ring bond data 274: ok 14716 # correct ring bond data 274: ok 14717 # correct ring bond data 274: ok 14718 # correct ring bond data 274: ok 14719 # correct ring bond data 274: ok 14720 # correct ring bond data 274: ok 14721 # SSSR size matches reference 274: ok 14722 # correct SSSR count 274: ok 14723 # ring membership passed 274: ok 14724 # correct SSSR count 274: ok 14725 # ring membership passed 274: ok 14726 # correct SSSR count 274: ok 14727 # ring membership passed 274: ok 14728 # correct SSSR count 274: ok 14729 # ring membership passed 274: ok 14730 # correct SSSR count 274: ok 14731 # ring membership passed 274: ok 14732 # correct SSSR count 274: ok 14733 # ring membership passed 274: ok 14734 # correct SSSR count 274: ok 14735 # ring membership passed 274: ok 14736 # correct SSSR count 274: ok 14737 # ring membership passed 274: ok 14738 # correct SSSR count 274: ok 14739 # ring membership passed 274: ok 14740 # correct SSSR count 274: ok 14741 # ring membership passed 274: ok 14742 # correct SSSR count 274: ok 14743 # ring membership passed 274: ok 14744 # correct SSSR count 274: ok 14745 # ring membership passed 274: ok 14746 # correct SSSR count 274: ok 14747 # ring membership passed 274: ok 14748 # correct SSSR count 274: ok 14749 # ring membership passed 274: ok 14750 # correct SSSR count 274: ok 14751 # ring membership passed 274: ok 14752 # correct SSSR count 274: ok 14753 # ring membership passed 274: ok 14754 # correct SSSR count 274: ok 14755 # ring membership passed 274: ok 14756 # correct SSSR count 274: ok 14757 # ring membership passed 274: ok 14758 # correct SSSR count 274: ok 14759 # ring membership passed 274: ok 14760 # correct SSSR count 274: ok 14761 # ring membership passed 274: ok 14762 # correct SSSR count 274: ok 14763 # ring membership passed 274: ok 14764 # correct SSSR count 274: ok 14765 # ring membership passed 274: ok 14766 # correct SSSR count 274: ok 14767 # ring membership passed 274: ok 14768 # correct SSSR count 274: ok 14769 # ring membership passed 274: ok 14770 # correct SSSR count 274: ok 14771 # ring membership passed 274: ok 14772 # correct SSSR count 274: ok 14773 # ring membership passed 274: ok 14774 # correct ring bond data 274: ok 14775 # correct ring bond data 274: ok 14776 # correct ring bond data 274: ok 14777 # correct ring bond data 274: ok 14778 # correct ring bond data 274: ok 14779 # correct ring bond data 274: ok 14780 # correct ring bond data 274: ok 14781 # correct ring bond data 274: ok 14782 # correct ring bond data 274: ok 14783 # correct ring bond data 274: ok 14784 # correct ring bond data 274: ok 14785 # correct ring bond data 274: ok 14786 # correct ring bond data 274: ok 14787 # correct ring bond data 274: ok 14788 # correct ring bond data 274: ok 14789 # correct ring bond data 274: ok 14790 # correct ring bond data 274: ok 14791 # correct ring bond data 274: ok 14792 # correct ring bond data 274: ok 14793 # correct ring bond data 274: ok 14794 # correct ring bond data 274: ok 14795 # correct ring bond data 274: ok 14796 # correct ring bond data 274: ok 14797 # correct ring bond data 274: ok 14798 # correct ring bond data 274: ok 14799 # correct ring bond data 274: ok 14800 # correct ring bond data 274: ok 14801 # correct ring bond data 274: ok 14802 # correct ring bond data 274: ok 14803 # correct ring bond data 274: ok 14804 # correct ring bond data 274: ok 14805 # correct ring bond data 274: ok 14806 # correct ring bond data 274: ok 14807 # correct ring bond data 274: ok 14808 # correct ring bond data 274: ok 14809 # correct ring bond data 274: ok 14810 # correct ring bond data 274: ok 14811 # correct ring bond data 274: ok 14812 # correct ring bond data 274: ok 14813 # correct ring bond data 274: ok 14814 # correct ring bond data 274: ok 14815 # correct ring bond data 274: ok 14816 # SSSR size matches reference 274: ok 14817 # correct SSSR count 274: ok 14818 # ring membership passed 274: ok 14819 # correct SSSR count 274: ok 14820 # ring membership passed 274: ok 14821 # correct SSSR count 274: ok 14822 # ring membership passed 274: ok 14823 # correct SSSR count 274: ok 14824 # ring membership passed 274: ok 14825 # correct SSSR count 274: ok 14826 # ring membership passed 274: ok 14827 # correct SSSR count 274: ok 14828 # ring membership passed 274: ok 14829 # correct SSSR count 274: ok 14830 # ring membership passed 274: ok 14831 # correct SSSR count 274: ok 14832 # ring membership passed 274: ok 14833 # correct SSSR count 274: ok 14834 # ring membership passed 274: ok 14835 # correct SSSR count 274: ok 14836 # ring membership passed 274: ok 14837 # correct SSSR count 274: ok 14838 # ring membership passed 274: ok 14839 # correct SSSR count 274: ok 14840 # ring membership passed 274: ok 14841 # correct SSSR count 274: ok 14842 # ring membership passed 274: ok 14843 # correct SSSR count 274: ok 14844 # ring membership passed 274: ok 14845 # correct SSSR count 274: ok 14846 # ring membership passed 274: ok 14847 # correct SSSR count 274: ok 14848 # ring membership passed 274: ok 14849 # correct SSSR count 274: ok 14850 # ring membership passed 274: ok 14851 # correct SSSR count 274: ok 14852 # ring membership passed 274: ok 14853 # correct SSSR count 274: ok 14854 # ring membership passed 274: ok 14855 # correct SSSR count 274: ok 14856 # ring membership passed 274: ok 14857 # correct SSSR count 274: ok 14858 # ring membership passed 274: ok 14859 # correct SSSR count 274: ok 14860 # ring membership passed 274: ok 14861 # correct SSSR count 274: ok 14862 # ring membership passed 274: ok 14863 # correct SSSR count 274: ok 14864 # ring membership passed 274: ok 14865 # correct SSSR count 274: ok 14866 # ring membership passed 274: ok 14867 # correct SSSR count 274: ok 14868 # ring membership passed 274: ok 14869 # correct SSSR count 274: ok 14870 # ring membership passed 274: ok 14871 # correct SSSR count 274: ok 14872 # ring membership passed 274: ok 14873 # correct SSSR count 274: ok 14874 # ring membership passed 274: ok 14875 # correct SSSR count 274: ok 14876 # ring membership passed 274: ok 14877 # correct SSSR count 274: ok 14878 # ring membership passed 274: ok 14879 # correct SSSR count 274: ok 14880 # ring membership passed 274: ok 14881 # correct SSSR count 274: ok 14882 # ring membership passed 274: ok 14883 # correct SSSR count 274: ok 14884 # ring membership passed 274: ok 14885 # correct SSSR count 274: ok 14886 # ring membership passed 274: ok 14887 # correct SSSR count 274: ok 14888 # ring membership passed 274: ok 14889 # correct SSSR count 274: ok 14890 # ring membership passed 274: ok 14891 # correct SSSR count 274: ok 14892 # ring membership passed 274: ok 14893 # correct SSSR count 274: ok 14894 # ring membership passed 274: ok 14895 # correct SSSR count 274: ok 14896 # ring membership passed 274: ok 14897 # correct SSSR count 274: ok 14898 # ring membership passed 274: ok 14899 # correct ring bond data 274: ok 14900 # correct ring bond data 274: ok 14901 # correct ring bond data 274: ok 14902 # correct ring bond data 274: ok 14903 # correct ring bond data 274: ok 14904 # correct ring bond data 274: ok 14905 # correct ring bond data 274: ok 14906 # correct ring bond data 274: ok 14907 # correct ring bond data 274: ok 14908 # correct ring bond data 274: ok 14909 # correct ring bond data 274: ok 14910 # correct ring bond data 274: ok 14911 # correct ring bond data 274: ok 14912 # correct ring bond data 274: ok 14913 # correct ring bond data 274: ok 14914 # SSSR size matches reference 274: ok 14915 # correct SSSR count 274: ok 14916 # ring membership passed 274: ok 14917 # correct SSSR count 274: ok 14918 # ring membership passed 274: ok 14919 # correct SSSR count 274: ok 14920 # ring membership passed 274: ok 14921 # correct SSSR count 274: ok 14922 # ring membership passed 274: ok 14923 # correct SSSR count 274: ok 14924 # ring membership passed 274: ok 14925 # correct SSSR count 274: ok 14926 # ring membership passed 274: ok 14927 # correct SSSR count 274: ok 14928 # ring membership passed 274: ok 14929 # correct SSSR count 274: ok 14930 # ring membership passed 274: ok 14931 # correct SSSR count 274: ok 14932 # ring membership passed 274: ok 14933 # correct SSSR count 274: ok 14934 # ring membership passed 274: ok 14935 # correct SSSR count 274: ok 14936 # ring membership passed 274: ok 14937 # correct SSSR count 274: ok 14938 # ring membership passed 274: ok 14939 # correct SSSR count 274: ok 14940 # ring membership passed 274: ok 14941 # correct SSSR count 274: ok 14942 # ring membership passed 274: ok 14943 # correct ring bond data 274: ok 14944 # correct ring bond data 274: ok 14945 # correct ring bond data 274: ok 14946 # correct ring bond data 274: ok 14947 # correct ring bond data 274: ok 14948 # correct ring bond data 274: ok 14949 # correct ring bond data 274: ok 14950 # correct ring bond data 274: ok 14951 # correct ring bond data 274: ok 14952 # correct ring bond data 274: ok 14953 # correct ring bond data 274: ok 14954 # SSSR size matches reference 274: ok 14955 # correct SSSR count 274: ok 14956 # ring membership passed 274: ok 14957 # correct SSSR count 274: ok 14958 # ring membership passed 274: ok 14959 # correct SSSR count 274: ok 14960 # ring membership passed 274: ok 14961 # correct SSSR count 274: ok 14962 # ring membership passed 274: ok 14963 # correct SSSR count 274: ok 14964 # ring membership passed 274: ok 14965 # correct SSSR count 274: ok 14966 # ring membership passed 274: ok 14967 # correct SSSR count 274: ok 14968 # ring membership passed 274: ok 14969 # correct SSSR count 274: ok 14970 # ring membership passed 274: ok 14971 # correct SSSR count 274: ok 14972 # ring membership passed 274: ok 14973 # correct SSSR count 274: ok 14974 # ring membership passed 274: ok 14975 # correct SSSR count 274: ok 14976 # ring membership passed 274: ok 14977 # correct SSSR count 274: ok 14978 # ring membership passed 274: ok 14979 # correct ring bond data 274: ok 14980 # correct ring bond data 274: ok 14981 # correct ring bond data 274: ok 14982 # correct ring bond data 274: ok 14983 # correct ring bond data 274: ok 14984 # correct ring bond data 274: ok 14985 # correct ring bond data 274: ok 14986 # correct ring bond data 274: ok 14987 # SSSR size matches reference 274: ok 14988 # correct SSSR count 274: ok 14989 # ring membership passed 274: ok 14990 # correct SSSR count 274: ok 14991 # ring membership passed 274: ok 14992 # correct SSSR count 274: ok 14993 # ring membership passed 274: ok 14994 # correct SSSR count 274: ok 14995 # ring membership passed 274: ok 14996 # correct SSSR count 274: ok 14997 # ring membership passed 274: ok 14998 # correct SSSR count 274: ok 14999 # ring membership passed 274: ok 15000 # correct SSSR count 274: ok 15001 # ring membership passed 274: ok 15002 # correct SSSR count 274: ok 15003 # ring membership passed 274: ok 15004 # correct SSSR count 274: ok 15005 # ring membership passed 274: ok 15006 # correct SSSR count 274: ok 15007 # ring membership passed 274: ok 15008 # correct ring bond data 274: ok 15009 # correct ring bond data 274: ok 15010 # correct ring bond data 274: ok 15011 # correct ring bond data 274: ok 15012 # correct ring bond data 274: ok 15013 # correct ring bond data 274: ok 15014 # correct ring bond data 274: ok 15015 # correct ring bond data 274: ok 15016 # correct ring bond data 274: ok 15017 # correct ring bond data 274: ok 15018 # correct ring bond data 274: ok 15019 # correct ring bond data 274: ok 15020 # correct ring bond data 274: ok 15021 # correct ring bond data 274: ok 15022 # correct ring bond data 274: ok 15023 # SSSR size matches reference 274: ok 15024 # correct SSSR count 274: ok 15025 # ring membership passed 274: ok 15026 # correct SSSR count 274: ok 15027 # ring membership passed 274: ok 15028 # correct SSSR count 274: ok 15029 # ring membership passed 274: ok 15030 # correct SSSR count 274: ok 15031 # ring membership passed 274: ok 15032 # correct SSSR count 274: ok 15033 # ring membership passed 274: ok 15034 # correct SSSR count 274: ok 15035 # ring membership passed 274: ok 15036 # correct SSSR count 274: ok 15037 # ring membership passed 274: ok 15038 # correct SSSR count 274: ok 15039 # ring membership passed 274: ok 15040 # correct SSSR count 274: ok 15041 # ring membership passed 274: ok 15042 # correct SSSR count 274: ok 15043 # ring membership passed 274: ok 15044 # correct SSSR count 274: ok 15045 # ring membership passed 274: ok 15046 # correct SSSR count 274: ok 15047 # ring membership passed 274: ok 15048 # correct SSSR count 274: ok 15049 # ring membership passed 274: ok 15050 # correct SSSR count 274: ok 15051 # ring membership passed 274: ok 15052 # correct SSSR count 274: ok 15053 # ring membership passed 274: ok 15054 # correct SSSR count 274: ok 15055 # ring membership passed 274: ok 15056 # correct ring bond data 274: ok 15057 # correct ring bond data 274: ok 15058 # correct ring bond data 274: ok 15059 # correct ring bond data 274: ok 15060 # correct ring bond data 274: ok 15061 # correct ring bond data 274: ok 15062 # correct ring bond data 274: ok 15063 # correct ring bond data 274: ok 15064 # correct ring bond data 274: ok 15065 # correct ring bond data 274: ok 15066 # correct ring bond data 274: ok 15067 # SSSR size matches reference 274: ok 15068 # correct SSSR count 274: ok 15069 # ring membership passed 274: ok 15070 # correct SSSR count 274: ok 15071 # ring membership passed 274: ok 15072 # correct SSSR count 274: ok 15073 # ring membership passed 274: ok 15074 # correct SSSR count 274: ok 15075 # ring membership passed 274: ok 15076 # correct SSSR count 274: ok 15077 # ring membership passed 274: ok 15078 # correct SSSR count 274: ok 15079 # ring membership passed 274: ok 15080 # correct SSSR count 274: ok 15081 # ring membership passed 274: ok 15082 # correct SSSR count 274: ok 15083 # ring membership passed 274: ok 15084 # correct SSSR count 274: ok 15085 # ring membership passed 274: ok 15086 # correct SSSR count 274: ok 15087 # ring membership passed 274: ok 15088 # correct SSSR count 274: ok 15089 # ring membership passed 274: ok 15090 # correct SSSR count 274: ok 15091 # ring membership passed 274: ok 15092 # correct SSSR count 274: ok 15093 # ring membership passed 274: ok 15094 # correct ring bond data 274: ok 15095 # correct ring bond data 274: ok 15096 # correct ring bond data 274: ok 15097 # correct ring bond data 274: ok 15098 # correct ring bond data 274: ok 15099 # correct ring bond data 274: ok 15100 # SSSR size matches reference 274: ok 15101 # correct SSSR count 274: ok 15102 # ring membership passed 274: ok 15103 # correct SSSR count 274: ok 15104 # ring membership passed 274: ok 15105 # correct SSSR count 274: ok 15106 # ring membership passed 274: ok 15107 # correct SSSR count 274: ok 15108 # ring membership passed 274: ok 15109 # correct SSSR count 274: ok 15110 # ring membership passed 274: ok 15111 # correct SSSR count 274: ok 15112 # ring membership passed 274: ok 15113 # correct SSSR count 274: ok 15114 # ring membership passed 274: ok 15115 # correct SSSR count 274: ok 15116 # ring membership passed 274: ok 15117 # correct ring bond data 274: ok 15118 # correct ring bond data 274: ok 15119 # correct ring bond data 274: ok 15120 # correct ring bond data 274: ok 15121 # correct ring bond data 274: ok 15122 # correct ring bond data 274: ok 15123 # correct ring bond data 274: ok 15124 # correct ring bond data 274: ok 15125 # correct ring bond data 274: ok 15126 # correct ring bond data 274: ok 15127 # correct ring bond data 274: ok 15128 # correct ring bond data 274: ok 15129 # correct ring bond data 274: ok 15130 # SSSR size matches reference 274: ok 15131 # correct SSSR count 274: ok 15132 # ring membership passed 274: ok 15133 # correct SSSR count 274: ok 15134 # ring membership passed 274: ok 15135 # correct SSSR count 274: ok 15136 # ring membership passed 274: ok 15137 # correct SSSR count 274: ok 15138 # ring membership passed 274: ok 15139 # correct SSSR count 274: ok 15140 # ring membership passed 274: ok 15141 # correct SSSR count 274: ok 15142 # ring membership passed 274: ok 15143 # correct SSSR count 274: ok 15144 # ring membership passed 274: ok 15145 # correct SSSR count 274: ok 15146 # ring membership passed 274: ok 15147 # correct SSSR count 274: ok 15148 # ring membership passed 274: ok 15149 # correct SSSR count 274: ok 15150 # ring membership passed 274: ok 15151 # correct SSSR count 274: ok 15152 # ring membership passed 274: ok 15153 # correct SSSR count 274: ok 15154 # ring membership passed 274: ok 15155 # correct SSSR count 274: ok 15156 # ring membership passed 274: ok 15157 # correct ring bond data 274: ok 15158 # correct ring bond data 274: ok 15159 # correct ring bond data 274: ok 15160 # correct ring bond data 274: ok 15161 # correct ring bond data 274: ok 15162 # correct ring bond data 274: ok 15163 # SSSR size matches reference 274: ok 15164 # correct SSSR count 274: ok 15165 # ring membership passed 274: ok 15166 # correct SSSR count 274: ok 15167 # ring membership passed 274: ok 15168 # correct SSSR count 274: ok 15169 # ring membership passed 274: ok 15170 # correct SSSR count 274: ok 15171 # ring membership passed 274: ok 15172 # correct SSSR count 274: ok 15173 # ring membership passed 274: ok 15174 # correct SSSR count 274: ok 15175 # ring membership passed 274: ok 15176 # correct ring bond data 274: ok 15177 # correct ring bond data 274: ok 15178 # correct ring bond data 274: ok 15179 # correct ring bond data 274: ok 15180 # correct ring bond data 274: ok 15181 # correct ring bond data 274: ok 15182 # SSSR size matches reference 274: ok 15183 # correct SSSR count 274: ok 15184 # ring membership passed 274: ok 15185 # correct SSSR count 274: ok 15186 # ring membership passed 274: ok 15187 # correct SSSR count 274: ok 15188 # ring membership passed 274: ok 15189 # correct SSSR count 274: ok 15190 # ring membership passed 274: ok 15191 # correct SSSR count 274: ok 15192 # ring membership passed 274: ok 15193 # correct SSSR count 274: ok 15194 # ring membership passed 274: ok 15195 # correct ring bond data 274: ok 15196 # correct ring bond data 274: ok 15197 # correct ring bond data 274: ok 15198 # correct ring bond data 274: ok 15199 # correct ring bond data 274: ok 15200 # SSSR size matches reference 274: ok 15201 # correct SSSR count 274: ok 15202 # ring membership passed 274: ok 15203 # correct SSSR count 274: ok 15204 # ring membership passed 274: ok 15205 # correct SSSR count 274: ok 15206 # ring membership passed 274: ok 15207 # correct SSSR count 274: ok 15208 # ring membership passed 274: ok 15209 # correct SSSR count 274: ok 15210 # ring membership passed 274: ok 15211 # correct ring bond data 274: ok 15212 # correct ring bond data 274: ok 15213 # correct ring bond data 274: ok 15214 # correct ring bond data 274: ok 15215 # correct ring bond data 274: ok 15216 # correct ring bond data 274: ok 15217 # correct ring bond data 274: ok 15218 # correct ring bond data 274: ok 15219 # correct ring bond data 274: ok 15220 # correct ring bond data 274: ok 15221 # correct ring bond data 274: ok 15222 # correct ring bond data 274: ok 15223 # correct ring bond data 274: ok 15224 # correct ring bond data 274: ok 15225 # correct ring bond data 274: ok 15226 # correct ring bond data 274: ok 15227 # correct ring bond data 274: ok 15228 # correct ring bond data 274: ok 15229 # correct ring bond data 274: ok 15230 # correct ring bond data 274: ok 15231 # correct ring bond data 274: ok 15232 # SSSR size matches reference 274: ok 15233 # correct SSSR count 274: ok 15234 # ring membership passed 274: ok 15235 # correct SSSR count 274: ok 15236 # ring membership passed 274: ok 15237 # correct SSSR count 274: ok 15238 # ring membership passed 274: ok 15239 # correct SSSR count 274: ok 15240 # ring membership passed 274: ok 15241 # correct SSSR count 274: ok 15242 # ring membership passed 274: ok 15243 # correct SSSR count 274: ok 15244 # ring membership passed 274: ok 15245 # correct SSSR count 274: ok 15246 # ring membership passed 274: ok 15247 # correct SSSR count 274: ok 15248 # ring membership passed 274: ok 15249 # correct SSSR count 274: ok 15250 # ring membership passed 274: ok 15251 # correct SSSR count 274: ok 15252 # ring membership passed 274: ok 15253 # correct SSSR count 274: ok 15254 # ring membership passed 274: ok 15255 # correct SSSR count 274: ok 15256 # ring membership passed 274: ok 15257 # correct SSSR count 274: ok 15258 # ring membership passed 274: ok 15259 # correct SSSR count 274: ok 15260 # ring membership passed 274: ok 15261 # correct SSSR count 274: ok 15262 # ring membership passed 274: ok 15263 # correct SSSR count 274: ok 15264 # ring membership passed 274: ok 15265 # correct SSSR count 274: ok 15266 # ring membership passed 274: ok 15267 # correct SSSR count 274: ok 15268 # ring membership passed 274: ok 15269 # correct ring bond data 274: ok 15270 # correct ring bond data 274: ok 15271 # correct ring bond data 274: ok 15272 # correct ring bond data 274: ok 15273 # correct ring bond data 274: ok 15274 # correct ring bond data 274: ok 15275 # correct ring bond data 274: ok 15276 # correct ring bond data 274: ok 15277 # correct ring bond data 274: ok 15278 # correct ring bond data 274: ok 15279 # correct ring bond data 274: ok 15280 # correct ring bond data 274: ok 15281 # correct ring bond data 274: ok 15282 # correct ring bond data 274: ok 15283 # correct ring bond data 274: ok 15284 # correct ring bond data 274: ok 15285 # correct ring bond data 274: ok 15286 # correct ring bond data 274: ok 15287 # SSSR size matches reference 274: ok 15288 # correct SSSR count 274: ok 15289 # ring membership passed 274: ok 15290 # correct SSSR count 274: ok 15291 # ring membership passed 274: ok 15292 # correct SSSR count 274: ok 15293 # ring membership passed 274: ok 15294 # correct SSSR count 274: ok 15295 # ring membership passed 274: ok 15296 # correct SSSR count 274: ok 15297 # ring membership passed 274: ok 15298 # correct SSSR count 274: ok 15299 # ring membership passed 274: ok 15300 # correct SSSR count 274: ok 15301 # ring membership passed 274: ok 15302 # correct SSSR count 274: ok 15303 # ring membership passed 274: ok 15304 # correct SSSR count 274: ok 15305 # ring membership passed 274: ok 15306 # correct SSSR count 274: ok 15307 # ring membership passed 274: ok 15308 # correct SSSR count 274: ok 15309 # ring membership passed 274: ok 15310 # correct SSSR count 274: ok 15311 # ring membership passed 274: ok 15312 # correct SSSR count 274: ok 15313 # ring membership passed 274: ok 15314 # correct SSSR count 274: ok 15315 # ring membership passed 274: ok 15316 # correct SSSR count 274: ok 15317 # ring membership passed 274: ok 15318 # correct SSSR count 274: ok 15319 # ring membership passed 274: ok 15320 # correct ring bond data 274: ok 15321 # correct ring bond data 274: ok 15322 # correct ring bond data 274: ok 15323 # correct ring bond data 274: ok 15324 # correct ring bond data 274: ok 15325 # correct ring bond data 274: ok 15326 # correct ring bond data 274: ok 15327 # correct ring bond data 274: ok 15328 # correct ring bond data 274: ok 15329 # correct ring bond data 274: ok 15330 # correct ring bond data 274: ok 15331 # correct ring bond data 274: ok 15332 # correct ring bond data 274: ok 15333 # correct ring bond data 274: ok 15334 # correct ring bond data 274: ok 15335 # correct ring bond data 274: ok 15336 # correct ring bond data 274: ok 15337 # correct ring bond data 274: ok 15338 # correct ring bond data 274: ok 15339 # correct ring bond data 274: ok 15340 # correct ring bond data 274: ok 15341 # correct ring bond data 274: ok 15342 # SSSR size matches reference 274: ok 15343 # correct SSSR count 274: ok 15344 # ring membership passed 274: ok 15345 # correct SSSR count 274: ok 15346 # ring membership passed 274: ok 15347 # correct SSSR count 274: ok 15348 # ring membership passed 274: ok 15349 # correct SSSR count 274: ok 15350 # ring membership passed 274: ok 15351 # correct SSSR count 274: ok 15352 # ring membership passed 274: ok 15353 # correct SSSR count 274: ok 15354 # ring membership passed 274: ok 15355 # correct SSSR count 274: ok 15356 # ring membership passed 274: ok 15357 # correct SSSR count 274: ok 15358 # ring membership passed 274: ok 15359 # correct SSSR count 274: ok 15360 # ring membership passed 274: ok 15361 # correct SSSR count 274: ok 15362 # ring membership passed 274: ok 15363 # correct SSSR count 274: ok 15364 # ring membership passed 274: ok 15365 # correct SSSR count 274: ok 15366 # ring membership passed 274: ok 15367 # correct SSSR count 274: ok 15368 # ring membership passed 274: ok 15369 # correct SSSR count 274: ok 15370 # ring membership passed 274: ok 15371 # correct SSSR count 274: ok 15372 # ring membership passed 274: ok 15373 # correct SSSR count 274: ok 15374 # ring membership passed 274: ok 15375 # correct SSSR count 274: ok 15376 # ring membership passed 274: ok 15377 # correct SSSR count 274: ok 15378 # ring membership passed 274: ok 15379 # correct SSSR count 274: ok 15380 # ring membership passed 274: ok 15381 # correct ring bond data 274: ok 15382 # correct ring bond data 274: ok 15383 # correct ring bond data 274: ok 15384 # correct ring bond data 274: ok 15385 # correct ring bond data 274: ok 15386 # correct ring bond data 274: ok 15387 # correct ring bond data 274: ok 15388 # correct ring bond data 274: ok 15389 # correct ring bond data 274: ok 15390 # correct ring bond data 274: ok 15391 # correct ring bond data 274: ok 15392 # correct ring bond data 274: ok 15393 # correct ring bond data 274: ok 15394 # correct ring bond data 274: ok 15395 # correct ring bond data 274: ok 15396 # correct ring bond data 274: ok 15397 # correct ring bond data 274: ok 15398 # correct ring bond data 274: ok 15399 # correct ring bond data 274: ok 15400 # correct ring bond data 274: ok 15401 # correct ring bond data 274: ok 15402 # correct ring bond data 274: ok 15403 # SSSR size matches reference 274: ok 15404 # correct SSSR count 274: ok 15405 # ring membership passed 274: ok 15406 # correct SSSR count 274: ok 15407 # ring membership passed 274: ok 15408 # correct SSSR count 274: ok 15409 # ring membership passed 274: ok 15410 # correct SSSR count 274: ok 15411 # ring membership passed 274: ok 15412 # correct SSSR count 274: ok 15413 # ring membership passed 274: ok 15414 # correct SSSR count 274: ok 15415 # ring membership passed 274: ok 15416 # correct SSSR count 274: ok 15417 # ring membership passed 274: ok 15418 # correct SSSR count 274: ok 15419 # ring membership passed 274: ok 15420 # correct SSSR count 274: ok 15421 # ring membership passed 274: ok 15422 # correct SSSR count 274: ok 15423 # ring membership passed 274: ok 15424 # correct SSSR count 274: ok 15425 # ring membership passed 274: ok 15426 # correct SSSR count 274: ok 15427 # ring membership passed 274: ok 15428 # correct SSSR count 274: ok 15429 # ring membership passed 274: ok 15430 # correct SSSR count 274: ok 15431 # ring membership passed 274: ok 15432 # correct SSSR count 274: ok 15433 # ring membership passed 274: ok 15434 # correct SSSR count 274: ok 15435 # ring membership passed 274: ok 15436 # correct SSSR count 274: ok 15437 # ring membership passed 274: ok 15438 # correct SSSR count 274: ok 15439 # ring membership passed 274: ok 15440 # correct SSSR count 274: ok 15441 # ring membership passed 274: ok 15442 # correct ring bond data 274: ok 15443 # correct ring bond data 274: ok 15444 # correct ring bond data 274: ok 15445 # correct ring bond data 274: ok 15446 # correct ring bond data 274: ok 15447 # correct ring bond data 274: ok 15448 # correct ring bond data 274: ok 15449 # correct ring bond data 274: ok 15450 # correct ring bond data 274: ok 15451 # correct ring bond data 274: ok 15452 # correct ring bond data 274: ok 15453 # correct ring bond data 274: ok 15454 # correct ring bond data 274: ok 15455 # correct ring bond data 274: ok 15456 # correct ring bond data 274: ok 15457 # correct ring bond data 274: ok 15458 # correct ring bond data 274: ok 15459 # correct ring bond data 274: ok 15460 # correct ring bond data 274: ok 15461 # correct ring bond data 274: ok 15462 # correct ring bond data 274: ok 15463 # SSSR size matches reference 274: ok 15464 # correct SSSR count 274: ok 15465 # ring membership passed 274: ok 15466 # correct SSSR count 274: ok 15467 # ring membership passed 274: ok 15468 # correct SSSR count 274: ok 15469 # ring membership passed 274: ok 15470 # correct SSSR count 274: ok 15471 # ring membership passed 274: ok 15472 # correct SSSR count 274: ok 15473 # ring membership passed 274: ok 15474 # correct SSSR count 274: ok 15475 # ring membership passed 274: ok 15476 # correct SSSR count 274: ok 15477 # ring membership passed 274: ok 15478 # correct SSSR count 274: ok 15479 # ring membership passed 274: ok 15480 # correct SSSR count 274: ok 15481 # ring membership passed 274: ok 15482 # correct SSSR count 274: ok 15483 # ring membership passed 274: ok 15484 # correct SSSR count 274: ok 15485 # ring membership passed 274: ok 15486 # correct SSSR count 274: ok 15487 # ring membership passed 274: ok 15488 # correct SSSR count 274: ok 15489 # ring membership passed 274: ok 15490 # correct SSSR count 274: ok 15491 # ring membership passed 274: ok 15492 # correct SSSR count 274: ok 15493 # ring membership passed 274: ok 15494 # correct SSSR count 274: ok 15495 # ring membership passed 274: ok 15496 # correct SSSR count 274: ok 15497 # ring membership passed 274: ok 15498 # correct SSSR count 274: ok 15499 # ring membership passed 274: ok 15500 # correct ring bond data 274: ok 15501 # correct ring bond data 274: ok 15502 # correct ring bond data 274: ok 15503 # correct ring bond data 274: ok 15504 # correct ring bond data 274: ok 15505 # correct ring bond data 274: ok 15506 # correct ring bond data 274: ok 15507 # correct ring bond data 274: ok 15508 # correct ring bond data 274: ok 15509 # correct ring bond data 274: ok 15510 # correct ring bond data 274: ok 15511 # correct ring bond data 274: ok 15512 # correct ring bond data 274: ok 15513 # correct ring bond data 274: ok 15514 # correct ring bond data 274: ok 15515 # correct ring bond data 274: ok 15516 # correct ring bond data 274: ok 15517 # correct ring bond data 274: ok 15518 # SSSR size matches reference 274: ok 15519 # correct SSSR count 274: ok 15520 # ring membership passed 274: ok 15521 # correct SSSR count 274: ok 15522 # ring membership passed 274: ok 15523 # correct SSSR count 274: ok 15524 # ring membership passed 274: ok 15525 # correct SSSR count 274: ok 15526 # ring membership passed 274: ok 15527 # correct SSSR count 274: ok 15528 # ring membership passed 274: ok 15529 # correct SSSR count 274: ok 15530 # ring membership passed 274: ok 15531 # correct SSSR count 274: ok 15532 # ring membership passed 274: ok 15533 # correct SSSR count 274: ok 15534 # ring membership passed 274: ok 15535 # correct SSSR count 274: ok 15536 # ring membership passed 274: ok 15537 # correct SSSR count 274: ok 15538 # ring membership passed 274: ok 15539 # correct SSSR count 274: ok 15540 # ring membership passed 274: ok 15541 # correct SSSR count 274: ok 15542 # ring membership passed 274: ok 15543 # correct SSSR count 274: ok 15544 # ring membership passed 274: ok 15545 # correct SSSR count 274: ok 15546 # ring membership passed 274: ok 15547 # correct SSSR count 274: ok 15548 # ring membership passed 274: ok 15549 # correct SSSR count 274: ok 15550 # ring membership passed 274: ok 15551 # correct ring bond data 274: ok 15552 # correct ring bond data 274: ok 15553 # correct ring bond data 274: ok 15554 # correct ring bond data 274: ok 15555 # correct ring bond data 274: ok 15556 # correct ring bond data 274: ok 15557 # correct ring bond data 274: ok 15558 # correct ring bond data 274: ok 15559 # correct ring bond data 274: ok 15560 # correct ring bond data 274: ok 15561 # correct ring bond data 274: ok 15562 # correct ring bond data 274: ok 15563 # correct ring bond data 274: ok 15564 # correct ring bond data 274: ok 15565 # correct ring bond data 274: ok 15566 # correct ring bond data 274: ok 15567 # SSSR size matches reference 274: ok 15568 # correct SSSR count 274: ok 15569 # ring membership passed 274: ok 15570 # correct SSSR count 274: ok 15571 # ring membership passed 274: ok 15572 # correct SSSR count 274: ok 15573 # ring membership passed 274: ok 15574 # correct SSSR count 274: ok 15575 # ring membership passed 274: ok 15576 # correct SSSR count 274: ok 15577 # ring membership passed 274: ok 15578 # correct SSSR count 274: ok 15579 # ring membership passed 274: ok 15580 # correct SSSR count 274: ok 15581 # ring membership passed 274: ok 15582 # correct SSSR count 274: ok 15583 # ring membership passed 274: ok 15584 # correct SSSR count 274: ok 15585 # ring membership passed 274: ok 15586 # correct SSSR count 274: ok 15587 # ring membership passed 274: ok 15588 # correct SSSR count 274: ok 15589 # ring membership passed 274: ok 15590 # correct SSSR count 274: ok 15591 # ring membership passed 274: ok 15592 # correct SSSR count 274: ok 15593 # ring membership passed 274: ok 15594 # correct SSSR count 274: ok 15595 # ring membership passed 274: ok 15596 # correct SSSR count 274: ok 15597 # ring membership passed 274: ok 15598 # correct ring bond data 274: ok 15599 # correct ring bond data 274: ok 15600 # correct ring bond data 274: ok 15601 # correct ring bond data 274: ok 15602 # correct ring bond data 274: ok 15603 # correct ring bond data 274: ok 15604 # correct ring bond data 274: ok 15605 # correct ring bond data 274: ok 15606 # correct ring bond data 274: ok 15607 # correct ring bond data 274: ok 15608 # correct ring bond data 274: ok 15609 # correct ring bond data 274: ok 15610 # correct ring bond data 274: ok 15611 # correct ring bond data 274: ok 15612 # correct ring bond data 274: ok 15613 # correct ring bond data 274: ok 15614 # correct ring bond data 274: ok 15615 # correct ring bond data 274: ok 15616 # correct ring bond data 274: ok 15617 # SSSR size matches reference 274: ok 15618 # correct SSSR count 274: ok 15619 # ring membership passed 274: ok 15620 # correct SSSR count 274: ok 15621 # ring membership passed 274: ok 15622 # correct SSSR count 274: ok 15623 # ring membership passed 274: ok 15624 # correct SSSR count 274: ok 15625 # ring membership passed 274: ok 15626 # correct SSSR count 274: ok 15627 # ring membership passed 274: ok 15628 # correct SSSR count 274: ok 15629 # ring membership passed 274: ok 15630 # correct SSSR count 274: ok 15631 # ring membership passed 274: ok 15632 # correct SSSR count 274: ok 15633 # ring membership passed 274: ok 15634 # correct SSSR count 274: ok 15635 # ring membership passed 274: ok 15636 # correct SSSR count 274: ok 15637 # ring membership passed 274: ok 15638 # correct SSSR count 274: ok 15639 # ring membership passed 274: ok 15640 # correct SSSR count 274: ok 15641 # ring membership passed 274: ok 15642 # correct SSSR count 274: ok 15643 # ring membership passed 274: ok 15644 # correct SSSR count 274: ok 15645 # ring membership passed 274: ok 15646 # correct SSSR count 274: ok 15647 # ring membership passed 274: ok 15648 # correct SSSR count 274: ok 15649 # ring membership passed 274: ok 15650 # correct SSSR count 274: ok 15651 # ring membership passed 274: ok 15652 # correct ring bond data 274: ok 15653 # correct ring bond data 274: ok 15654 # correct ring bond data 274: ok 15655 # correct ring bond data 274: ok 15656 # correct ring bond data 274: ok 15657 # correct ring bond data 274: ok 15658 # correct ring bond data 274: ok 15659 # correct ring bond data 274: ok 15660 # correct ring bond data 274: ok 15661 # correct ring bond data 274: ok 15662 # correct ring bond data 274: ok 15663 # correct ring bond data 274: ok 15664 # SSSR size matches reference 274: ok 15665 # correct SSSR count 274: ok 15666 # ring membership passed 274: ok 15667 # correct SSSR count 274: ok 15668 # ring membership passed 274: ok 15669 # correct SSSR count 274: ok 15670 # ring membership passed 274: ok 15671 # correct SSSR count 274: ok 15672 # ring membership passed 274: ok 15673 # correct SSSR count 274: ok 15674 # ring membership passed 274: ok 15675 # correct SSSR count 274: ok 15676 # ring membership passed 274: ok 15677 # correct SSSR count 274: ok 15678 # ring membership passed 274: ok 15679 # correct SSSR count 274: ok 15680 # ring membership passed 274: ok 15681 # correct SSSR count 274: ok 15682 # ring membership passed 274: ok 15683 # correct SSSR count 274: ok 15684 # ring membership passed 274: ok 15685 # correct SSSR count 274: ok 15686 # ring membership passed 274: ok 15687 # correct ring bond data 274: ok 15688 # correct ring bond data 274: ok 15689 # correct ring bond data 274: ok 15690 # correct ring bond data 274: ok 15691 # correct ring bond data 274: ok 15692 # correct ring bond data 274: ok 15693 # correct ring bond data 274: ok 15694 # correct ring bond data 274: ok 15695 # correct ring bond data 274: ok 15696 # correct ring bond data 274: ok 15697 # correct ring bond data 274: ok 15698 # correct ring bond data 274: ok 15699 # correct ring bond data 274: ok 15700 # correct ring bond data 274: ok 15701 # correct ring bond data 274: ok 15702 # correct ring bond data 274: ok 15703 # correct ring bond data 274: ok 15704 # correct ring bond data 274: ok 15705 # correct ring bond data 274: ok 15706 # correct ring bond data 274: ok 15707 # correct ring bond data 274: ok 15708 # correct ring bond data 274: ok 15709 # SSSR size matches reference 274: ok 15710 # correct SSSR count 274: ok 15711 # ring membership passed 274: ok 15712 # correct SSSR count 274: ok 15713 # ring membership passed 274: ok 15714 # correct SSSR count 274: ok 15715 # ring membership passed 274: ok 15716 # correct SSSR count 274: ok 15717 # ring membership passed 274: ok 15718 # correct SSSR count 274: ok 15719 # ring membership passed 274: ok 15720 # correct SSSR count 274: ok 15721 # ring membership passed 274: ok 15722 # correct SSSR count 274: ok 15723 # ring membership passed 274: ok 15724 # correct SSSR count 274: ok 15725 # ring membership passed 274: ok 15726 # correct SSSR count 274: ok 15727 # ring membership passed 274: ok 15728 # correct SSSR count 274: ok 15729 # ring membership passed 274: ok 15730 # correct SSSR count 274: ok 15731 # ring membership passed 274: ok 15732 # correct SSSR count 274: ok 15733 # ring membership passed 274: ok 15734 # correct SSSR count 274: ok 15735 # ring membership passed 274: ok 15736 # correct SSSR count 274: ok 15737 # ring membership passed 274: ok 15738 # correct SSSR count 274: ok 15739 # ring membership passed 274: ok 15740 # correct SSSR count 274: ok 15741 # ring membership passed 274: ok 15742 # correct SSSR count 274: ok 15743 # ring membership passed 274: ok 15744 # correct SSSR count 274: ok 15745 # ring membership passed 274: ok 15746 # correct SSSR count 274: ok 15747 # ring membership passed 274: ok 15748 # correct ring bond data 274: ok 15749 # correct ring bond data 274: ok 15750 # correct ring bond data 274: ok 15751 # correct ring bond data 274: ok 15752 # correct ring bond data 274: ok 15753 # correct ring bond data 274: ok 15754 # correct ring bond data 274: ok 15755 # correct ring bond data 274: ok 15756 # correct ring bond data 274: ok 15757 # correct ring bond data 274: ok 15758 # correct ring bond data 274: ok 15759 # correct ring bond data 274: ok 15760 # correct ring bond data 274: ok 15761 # correct ring bond data 274: ok 15762 # correct ring bond data 274: ok 15763 # correct ring bond data 274: ok 15764 # correct ring bond data 274: ok 15765 # correct ring bond data 274: ok 15766 # correct ring bond data 274: ok 15767 # correct ring bond data 274: ok 15768 # SSSR size matches reference 274: ok 15769 # correct SSSR count 274: ok 15770 # ring membership passed 274: ok 15771 # correct SSSR count 274: ok 15772 # ring membership passed 274: ok 15773 # correct SSSR count 274: ok 15774 # ring membership passed 274: ok 15775 # correct SSSR count 274: ok 15776 # ring membership passed 274: ok 15777 # correct SSSR count 274: ok 15778 # ring membership passed 274: ok 15779 # correct SSSR count 274: ok 15780 # ring membership passed 274: ok 15781 # correct SSSR count 274: ok 15782 # ring membership passed 274: ok 15783 # correct SSSR count 274: ok 15784 # ring membership passed 274: ok 15785 # correct SSSR count 274: ok 15786 # ring membership passed 274: ok 15787 # correct SSSR count 274: ok 15788 # ring membership passed 274: ok 15789 # correct SSSR count 274: ok 15790 # ring membership passed 274: ok 15791 # correct SSSR count 274: ok 15792 # ring membership passed 274: ok 15793 # correct SSSR count 274: ok 15794 # ring membership passed 274: ok 15795 # correct SSSR count 274: ok 15796 # ring membership passed 274: ok 15797 # correct SSSR count 274: ok 15798 # ring membership passed 274: ok 15799 # correct SSSR count 274: ok 15800 # ring membership passed 274: ok 15801 # correct SSSR count 274: ok 15802 # ring membership passed 274: ok 15803 # correct SSSR count 274: ok 15804 # ring membership passed 274: ok 15805 # correct SSSR count 274: ok 15806 # ring membership passed 274: ok 15807 # correct ring bond data 274: ok 15808 # correct ring bond data 274: ok 15809 # correct ring bond data 274: ok 15810 # correct ring bond data 274: ok 15811 # correct ring bond data 274: ok 15812 # correct ring bond data 274: ok 15813 # SSSR size matches reference 274: ok 15814 # correct SSSR count 274: ok 15815 # ring membership passed 274: ok 15816 # correct SSSR count 274: ok 15817 # ring membership passed 274: ok 15818 # correct SSSR count 274: ok 15819 # ring membership passed 274: ok 15820 # correct SSSR count 274: ok 15821 # ring membership passed 274: ok 15822 # correct SSSR count 274: ok 15823 # ring membership passed 274: ok 15824 # correct SSSR count 274: ok 15825 # ring membership passed 274: ok 15826 # correct SSSR count 274: ok 15827 # ring membership passed 274: ok 15828 # correct ring bond data 274: ok 15829 # correct ring bond data 274: ok 15830 # correct ring bond data 274: ok 15831 # correct ring bond data 274: ok 15832 # correct ring bond data 274: ok 15833 # correct ring bond data 274: ok 15834 # SSSR size matches reference 274: ok 15835 # correct SSSR count 274: ok 15836 # ring membership passed 274: ok 15837 # correct SSSR count 274: ok 15838 # ring membership passed 274: ok 15839 # correct SSSR count 274: ok 15840 # ring membership passed 274: ok 15841 # correct SSSR count 274: ok 15842 # ring membership passed 274: ok 15843 # correct SSSR count 274: ok 15844 # ring membership passed 274: ok 15845 # correct SSSR count 274: ok 15846 # ring membership passed 274: ok 15847 # correct SSSR count 274: ok 15848 # ring membership passed 274: ok 15849 # correct ring bond data 274: ok 15850 # correct ring bond data 274: ok 15851 # SSSR size matches reference 274: ok 15852 # correct SSSR count 274: ok 15853 # ring membership passed 274: ok 15854 # correct SSSR count 274: ok 15855 # ring membership passed 274: ok 15856 # correct SSSR count 274: ok 15857 # ring membership passed 274: 1..15857 269/333 Test #274: origtest_ringtest_1 ................................................................................. Passed 0.25 sec test 275 Start 275: origtest_smartstest_1 275: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "smartstest" "1" 275: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 275: Environment variables: 275: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 275: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 275: Test timeout computed to be: 1500 275: 275: # Testing SMARTS... 275: ok 1 # molecule passed tests 275: ok 2 # molecule passed tests 275: ok 3 # molecule passed tests 275: ok 4 # molecule passed tests 275: ok 5 # molecule passed tests 275: ok 6 # molecule passed tests 275: ok 7 # molecule passed tests 275: ok 8 # molecule passed tests 275: ok 9 # molecule passed tests 275: ok 10 # molecule passed tests 275: ok 11 # molecule passed tests 275: ok 12 # molecule passed tests 275: ok 13 # molecule passed tests 275: ok 14 # molecule passed tests 275: ok 15 # molecule passed tests 275: ok 16 # molecule passed tests 275: ok 17 # molecule passed tests 275: ok 18 # molecule passed tests 275: ok 19 # molecule passed tests 275: ok 20 # molecule passed tests 275: ok 21 # molecule passed tests 275: ok 22 # molecule passed tests 275: ok 23 # molecule passed tests 275: ok 24 # molecule passed tests 275: ok 25 # molecule passed tests 275: ok 26 # molecule passed tests 275: ok 27 # molecule passed tests 275: ok 28 # molecule passed tests 275: ok 29 # molecule passed tests 275: ok 30 # molecule passed tests 275: ok 31 # molecule passed tests 275: ok 32 # molecule passed tests 275: ok 33 # molecule passed tests 275: ok 34 # molecule passed tests 275: ok 35 # molecule passed tests 275: ok 36 # molecule passed tests 275: ok 37 # molecule passed tests 275: ok 38 # molecule passed tests 275: ok 39 # molecule passed tests 275: ok 40 # molecule passed tests 275: ok 41 # molecule passed tests 275: ok 42 # molecule passed tests 275: ok 43 # molecule passed tests 275: ok 44 # molecule passed tests 275: ok 45 # molecule passed tests 275: ok 46 # molecule passed tests 275: ok 47 # molecule passed tests 275: ok 48 # molecule passed tests 275: ok 49 # molecule passed tests 275: ok 50 # molecule passed tests 275: ok 51 # molecule passed tests 275: ok 52 # molecule passed tests 275: ok 53 # molecule passed tests 275: ok 54 # molecule passed tests 275: ok 55 # molecule passed tests 275: ok 56 # molecule passed tests 275: ok 57 # molecule passed tests 275: ok 58 # molecule passed tests 275: ok 59 # molecule passed tests 275: ok 60 # molecule passed tests 275: ok 61 # molecule passed tests 275: ok 62 # molecule passed tests 275: ok 63 # molecule passed tests 275: ok 64 # molecule passed tests 275: ok 65 # molecule passed tests 275: ok 66 # molecule passed tests 275: ok 67 # molecule passed tests 275: ok 68 # molecule passed tests 275: ok 69 # molecule passed tests 275: ok 70 # molecule passed tests 275: ok 71 # molecule passed tests 275: ok 72 # molecule passed tests 275: ok 73 # molecule passed tests 275: ok 74 # molecule passed tests 275: ok 75 # molecule passed tests 275: ok 76 # molecule passed tests 275: ok 77 # molecule passed tests 275: ok 78 # molecule passed tests 275: ok 79 # molecule passed tests 275: ok 80 # molecule passed tests 275: ok 81 # molecule passed tests 275: ok 82 # molecule passed tests 275: ok 83 # molecule passed tests 275: ok 84 # molecule passed tests 275: ok 85 # molecule passed tests 275: ok 86 # molecule passed tests 275: ok 87 # molecule passed tests 275: ok 88 # molecule passed tests 275: ok 89 # molecule passed tests 275: ok 90 # molecule passed tests 275: ok 91 # molecule passed tests 275: ok 92 # molecule passed tests 275: ok 93 # molecule passed tests 275: ok 94 # molecule passed tests 275: ok 95 # molecule passed tests 275: ok 96 # molecule passed tests 275: ok 97 # molecule passed tests 275: ok 98 # molecule passed tests 275: ok 99 # molecule passed tests 275: ok 100 # molecule passed tests 275: ok 101 # molecule passed tests 275: ok 102 # molecule passed tests 275: ok 103 # molecule passed tests 275: ok 104 # molecule passed tests 275: ok 105 # molecule passed tests 275: ok 106 # molecule passed tests 275: ok 107 # molecule passed tests 275: ok 108 # molecule passed tests 275: ok 109 # molecule passed tests 275: ok 110 # molecule passed tests 275: ok 111 # molecule passed tests 275: ok 112 # molecule passed tests 275: ok 113 # molecule passed tests 275: ok 114 # molecule passed tests 275: ok 115 # molecule passed tests 275: ok 116 # molecule passed tests 275: ok 117 # molecule passed tests 275: ok 118 # molecule passed tests 275: ok 119 # molecule passed tests 275: ok 120 # molecule passed tests 275: ok 121 # molecule passed tests 275: ok 122 # molecule passed tests 275: ok 123 # molecule passed tests 275: ok 124 # molecule passed tests 275: ok 125 # molecule passed tests 275: ok 126 # molecule passed tests 275: ok 127 # molecule passed tests 275: ok 128 # molecule passed tests 275: ok 129 # molecule passed tests 275: ok 130 # molecule passed tests 275: ok 131 # molecule passed tests 275: ok 132 # molecule passed tests 275: ok 133 # molecule passed tests 275: ok 134 # molecule passed tests 275: ok 135 # molecule passed tests 275: ok 136 # molecule passed tests 275: ok 137 # molecule passed tests 275: ok 138 # molecule passed tests 275: ok 139 # molecule passed tests 275: ok 140 # molecule passed tests 275: ok 141 # molecule passed tests 275: ok 142 # molecule passed tests 275: ok 143 # molecule passed tests 275: ok 144 # molecule passed tests 275: ok 145 # molecule passed tests 275: ok 146 # molecule passed tests 275: ok 147 # molecule passed tests 275: ok 148 # molecule passed tests 275: ok 149 # molecule passed tests 275: ok 150 # molecule passed tests 275: ok 151 # molecule passed tests 275: ok 152 # molecule passed tests 275: ok 153 # molecule passed tests 275: ok 154 # molecule passed tests 275: ok 155 # molecule passed tests 275: ok 156 # molecule passed tests 275: ok 157 # molecule passed tests 275: ok 158 # molecule passed tests 275: ok 159 # molecule passed tests 275: ok 160 # molecule passed tests 275: ok 161 # molecule passed tests 275: ok 162 # molecule passed tests 275: ok 163 # molecule passed tests 275: ok 164 # molecule passed tests 275: ok 165 # molecule passed tests 275: ok 166 # molecule passed tests 275: ok 167 # molecule passed tests 275: ok 168 # molecule passed tests 275: ok 169 # molecule passed tests 275: ok 170 # molecule passed tests 275: ok 171 # molecule passed tests 275: ok 172 # molecule passed tests 275: ok 173 # molecule passed tests 275: ok 174 # molecule passed tests 275: ok 175 # molecule passed tests 275: ok 176 # molecule passed tests 275: ok 177 # molecule passed tests 275: ok 178 # molecule passed tests 275: ok 179 # molecule passed tests 275: ok 180 # molecule passed tests 275: ok 181 # molecule passed tests 275: ok 182 # molecule passed tests 275: ok 183 # molecule passed tests 275: ok 184 # molecule passed tests 275: ok 185 # molecule passed tests 275: ok 186 # molecule passed tests 275: ok 187 # molecule passed tests 275: ok 188 # molecule passed tests 275: ok 189 # molecule passed tests 275: ok 190 # molecule passed tests 275: ok 191 # molecule passed tests 275: ok 192 # molecule passed tests 275: ok 193 # molecule passed tests 275: ok 194 # molecule passed tests 275: ok 195 # molecule passed tests 275: ok 196 # molecule passed tests 275: ok 197 # molecule passed tests 275: ok 198 # molecule passed tests 275: ok 199 # molecule passed tests 275: ok 200 # molecule passed tests 275: ok 201 # molecule passed tests 275: ok 202 # molecule passed tests 275: ok 203 # molecule passed tests 275: ok 204 # molecule passed tests 275: ok 205 # molecule passed tests 275: ok 206 # molecule passed tests 275: ok 207 # molecule passed tests 275: ok 208 # molecule passed tests 275: ok 209 # molecule passed tests 275: ok 210 # molecule passed tests 275: ok 211 # molecule passed tests 275: ok 212 # molecule passed tests 275: ok 213 # molecule passed tests 275: ok 214 # molecule passed tests 275: ok 215 # molecule passed tests 275: ok 216 # molecule passed tests 275: ok 217 # molecule passed tests 275: ok 218 # molecule passed tests 275: ok 219 # molecule passed tests 275: ok 220 # molecule passed tests 275: ok 221 # molecule passed tests 275: ok 222 # molecule passed tests 275: ok 223 # molecule passed tests 275: ok 224 # molecule passed tests 275: ok 225 # molecule passed tests 275: ok 226 # molecule passed tests 275: ok 227 # molecule passed tests 275: ok 228 # molecule passed tests 275: ok 229 # molecule passed tests 275: ok 230 # molecule passed tests 275: ok 231 # molecule passed tests 275: ok 232 # molecule passed tests 275: ok 233 # molecule passed tests 275: ok 234 # molecule passed tests 275: ok 235 # molecule passed tests 275: ok 236 # molecule passed tests 275: ok 237 # molecule passed tests 275: ok 238 # molecule passed tests 275: ok 239 # molecule passed tests 275: ok 240 # molecule passed tests 275: ok 241 # molecule passed tests 275: ok 242 # molecule passed tests 275: ok 243 # molecule passed tests 275: ok 244 # molecule passed tests 275: ok 245 # molecule passed tests 275: ok 246 # molecule passed tests 275: ok 247 # molecule passed tests 275: ok 248 # molecule passed tests 275: ok 249 # molecule passed tests 275: ok 250 # molecule passed tests 275: ok 251 # molecule passed tests 275: ok 252 # molecule passed tests 275: ok 253 # molecule passed tests 275: ok 254 # molecule passed tests 275: ok 255 # molecule passed tests 275: ok 256 # molecule passed tests 275: ok 257 # molecule passed tests 275: ok 258 # molecule passed tests 275: ok 259 # molecule passed tests 275: ok 260 # molecule passed tests 275: ok 261 # molecule passed tests 275: ok 262 # molecule passed tests 275: ok 263 # molecule passed tests 275: ok 264 # molecule passed tests 275: ok 265 # molecule passed tests 275: ok 266 # molecule passed tests 275: ok 267 # molecule passed tests 275: ok 268 # molecule passed tests 275: ok 269 # molecule passed tests 275: ok 270 # molecule passed tests 275: ok 271 # molecule passed tests 275: ok 272 # molecule passed tests 275: ok 273 # molecule passed tests 275: ok 274 # molecule passed tests 275: 1..274 270/333 Test #275: origtest_smartstest_1 ............................................................................... Passed 0.45 sec test 276 Start 276: origtest_smartsparse_1 276: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "smartsparse" "1" 276: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 276: Environment variables: 276: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 276: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 276: Test timeout computed to be: 1500 276: # Testing SMARTS Parsing... 276: ok 1 276: ok 2 276: ok 3 276: ok 4 276: ok 5 276: ok 6 276: ok 7 276: ok 8 276: ok 9 276: ok 10 276: ok 11 276: ok 12 276: ok 13 276: ok 14 276: ok 15 276: ok 16 276: ok 17 276: ok 18 276: ok 19 276: ok 20 276: ok 21 276: ok 22 276: ok 23 276: ok 24 276: ok 25 276: ok 26 276: ok 27 276: ok 28 276: ok 29 276: ok 30 276: ok 31 276: ok 32 276: ok 33 276: ok 34 276: ok 35 276: ok 36 276: ok 37 276: ok 38 276: ok 39 276: ok 40 276: ok 41 276: ok 42 276: ok 43 276: ok 44 276: ok 45 276: ok 46 276: ok 47 276: ok 48 276: ok 49 276: ok 50 276: ok 51 276: ok 52 276: ok 53 276: ok 54 276: ok 55 276: ok 56 276: ok 57 276: ok 58 276: ok 59 276: ok 60 276: ok 61 276: ok 62 276: ok 63 276: ok 64 276: ok 65 276: ok 66 276: ok 67 276: ok 68 276: ok 69 276: ok 70 276: ok 71 276: ok 72 276: ok 73 276: ok 74 276: ok 75 276: ok 76 276: ok 77 276: ok 78 276: ok 79 276: ok 80 276: ok 81 276: ok 82 276: ok 83 276: ok 84 276: ok 85 276: ok 86 276: ok 87 276: ok 88 276: ok 89 276: ok 90 276: ok 91 276: ok 92 276: ok 93 276: ok 94 276: ok 95 276: ok 96 276: ok 97 276: ok 98 276: ok 99 276: ok 100 276: ok 101 276: ok 102 276: ok 103 276: ok 104 276: ok 105 276: ok 106 276: ok 107 276: ok 108 276: ok 109 276: ok 110 276: ok 111 276: ok 112 276: ok 113 276: ok 114 276: ok 115 276: ok 116 276: ok 117 276: ok 118 276: ok 119 276: ok 120 276: ok 121 276: ok 122 276: ok 123 276: ok 124 276: ok 125 276: ok 126 276: ok 127 276: ok 128 276: ok 129 276: ok 130 276: ok 131 276: ok 132 276: ok 133 276: ok 134 276: ok 135 276: ok 136 276: ok 137 276: ok 138 276: ok 139 276: ok 140 276: ok 141 276: ok 142 276: ok 143 276: ok 144 276: ok 145 276: ok 146 276: ok 147 276: ok 148 276: ok 149 276: ok 150 276: ok 151 276: ok 152 276: ok 153 276: ok 154 276: ok 155 276: ok 156 276: ok 157 276: ok 158 276: ok 159 276: ok 160 276: ok 161 276: ok 162 276: ok 163 276: ok 164 276: ok 165 276: ok 166 276: ok 167 276: ok 168 276: ok 169 276: ok 170 276: ok 171 276: ok 172 276: ok 173 276: ok 174 276: ok 175 276: ok 176 276: ok 177 276: ok 178 276: ok 179 276: ok 180 276: ok 181 276: ok 182 276: ok 183 276: ok 184 276: ok 185 276: ok 186 276: ok 187 276: ok 188 276: ok 189 276: ok 190 276: ok 191 276: ok 192 276: ok 193 276: ok 194 276: ok 195 276: ok 196 276: ok 197 276: ok 198 276: ok 199 276: ok 200 276: ok 201 276: ok 202 276: ok 203 276: ok 204 276: ok 205 276: ok 206 276: ok 207 276: ok 208 276: ok 209 276: ok 210 276: ok 211 276: ok 212 276: ok 213 276: ok 214 276: ok 215 276: ok 216 276: ok 217 276: ok 218 276: ok 219 276: ok 220 276: ok 221 276: ok 222 276: ok 223 276: ok 224 276: ok 225 276: ok 226 276: ok 227 276: ok 228 276: ok 229 276: ok 230 276: ok 231 276: 1..231 271/333 Test #276: origtest_smartsparse_1 .............................................................................. Passed 0.02 sec test 277 Start 277: origtest_smilesmatch_1 277: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "smilesmatch" "1" 277: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 277: Environment variables: 277: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 277: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 277: Test timeout computed to be: 1500 277: 277: # Testing SMILES self-matching using SMARTS... 277: ok 1 # SMARTS matched the SMILES molecule 277: ok 2 # SMARTS matched the SMILES molecule 277: ok 3 # SMARTS matched the SMILES molecule 277: ok 4 # SMARTS matched the SMILES molecule 277: ok 5 # SMARTS matched the SMILES molecule 277: ok 6 # SMARTS matched the SMILES molecule 277: ok 7 # SMARTS matched the SMILES molecule 277: ok 8 # SMARTS matched the SMILES molecule 277: ok 9 # SMARTS matched the SMILES molecule 277: ok 10 # SMARTS matched the SMILES molecule 277: ok 11 # SMARTS matched the SMILES molecule 277: ok 12 # SMARTS matched the SMILES molecule 277: ok 13 # SMARTS matched the SMILES molecule 277: ok 14 # SMARTS matched the SMILES molecule 277: ok 15 # SMARTS matched the SMILES molecule 277: ok 16 # SMARTS matched the SMILES molecule 277: ok 17 # SMARTS matched the SMILES molecule 277: ok 18 # SMARTS matched the SMILES molecule 277: ok 19 # SMARTS matched the SMILES molecule 277: ok 20 # SMARTS matched the SMILES molecule 277: ok 21 # SMARTS matched the SMILES molecule 277: ok 22 # SMARTS matched the SMILES molecule 277: ok 23 # SMARTS matched the SMILES molecule 277: ok 24 # SMARTS matched the SMILES molecule 277: ok 25 # SMARTS matched the SMILES molecule 277: ok 26 # SMARTS matched the SMILES molecule 277: ok 27 # SMARTS matched the SMILES molecule 277: ok 28 # SMARTS matched the SMILES molecule 277: ok 29 # SMARTS matched the SMILES molecule 277: ok 30 # SMARTS matched the SMILES molecule 277: ok 31 # SMARTS matched the SMILES molecule 277: ok 32 # SMARTS matched the SMILES molecule 277: ok 33 # SMARTS matched the SMILES molecule 277: ok 34 # SMARTS matched the SMILES molecule 277: ok 35 # SMARTS matched the SMILES molecule 277: ok 36 # SMARTS matched the SMILES molecule 277: ok 37 # SMARTS matched the SMILES molecule 277: ok 38 # SMARTS matched the SMILES molecule 277: ok 39 # SMARTS matched the SMILES molecule 277: ok 40 # SMARTS matched the SMILES molecule 277: ok 41 # SMARTS matched the SMILES molecule 277: ok 42 # SMARTS matched the SMILES molecule 277: ok 43 # SMARTS matched the SMILES molecule 277: ok 44 # SMARTS matched the SMILES molecule 277: ok 45 # SMARTS matched the SMILES molecule 277: ok 46 # SMARTS matched the SMILES molecule 277: ok 47 # SMARTS matched the SMILES molecule 277: ok 48 # SMARTS matched the SMILES molecule 277: ok 49 # SMARTS matched the SMILES molecule 277: ok 50 # SMARTS matched the SMILES molecule 277: ok 51 # SMARTS matched the SMILES molecule 277: ok 52 # SMARTS matched the SMILES molecule 277: ok 53 # SMARTS matched the SMILES molecule 277: ok 54 # SMARTS matched the SMILES molecule 277: ok 55 # SMARTS matched the SMILES molecule 277: ok 56 # SMARTS matched the SMILES molecule 277: ok 57 # SMARTS matched the SMILES molecule 277: ok 58 # SMARTS matched the SMILES molecule 277: ok 59 # SMARTS matched the SMILES molecule 277: ok 60 # SMARTS matched the SMILES molecule 277: ok 61 # SMARTS matched the SMILES molecule 277: ok 62 # SMARTS matched the SMILES molecule 277: ok 63 # SMARTS matched the SMILES molecule 277: ok 64 # SMARTS matched the SMILES molecule 277: ok 65 # SMARTS matched the SMILES molecule 277: ok 66 # SMARTS matched the SMILES molecule 277: ok 67 # SMARTS matched the SMILES molecule 277: ok 68 # SMARTS matched the SMILES molecule 277: ok 69 # SMARTS matched the SMILES molecule 277: ok 70 # SMARTS matched the SMILES molecule 277: ok 71 # SMARTS matched the SMILES molecule 277: ok 72 # SMARTS matched the SMILES molecule 277: ok 73 # SMARTS matched the SMILES molecule 277: ok 74 # SMARTS matched the SMILES molecule 277: ok 75 # SMARTS matched the SMILES molecule 277: ok 76 # SMARTS matched the SMILES molecule 277: ok 77 # SMARTS matched the SMILES molecule 277: ok 78 # SMARTS matched the SMILES molecule 277: ok 79 # SMARTS matched the SMILES molecule 277: ok 80 # SMARTS matched the SMILES molecule 277: ok 81 # SMARTS matched the SMILES molecule 277: ok 82 # SMARTS matched the SMILES molecule 277: ok 83 # SMARTS matched the SMILES molecule 277: ok 84 # SMARTS matched the SMILES molecule 277: ok 85 # SMARTS matched the SMILES molecule 277: ok 86 # SMARTS matched the SMILES molecule 277: ok 87 # SMARTS matched the SMILES molecule 277: ok 88 # SMARTS matched the SMILES molecule 277: ok 89 # SMARTS matched the SMILES molecule 277: ok 90 # SMARTS matched the SMILES molecule 277: ok 91 # SMARTS matched the SMILES molecule 277: ok 92 # SMARTS matched the SMILES molecule 277: ok 93 # SMARTS matched the SMILES molecule 277: ok 94 # SMARTS matched the SMILES molecule 277: ok 95 # SMARTS matched the SMILES molecule 277: ok 96 # SMARTS matched the SMILES molecule 277: ok 97 # SMARTS matched the SMILES molecule 277: ok 98 # SMARTS matched the SMILES molecule 277: ok 99 # SMARTS matched the SMILES molecule 277: ok 100 # SMARTS matched the SMILES molecule 277: ok 101 # SMARTS matched the SMILES molecule 277: ok 102 # SMARTS matched the SMILES molecule 277: ok 103 # SMARTS matched the SMILES molecule 277: ok 104 # SMARTS matched the SMILES molecule 277: ok 105 # SMARTS matched the SMILES molecule 277: ok 106 # SMARTS matched the SMILES molecule 277: ok 107 # SMARTS matched the SMILES molecule 277: ok 108 # SMARTS matched the SMILES molecule 277: ok 109 # SMARTS matched the SMILES molecule 277: ok 110 # SMARTS matched the SMILES molecule 277: ok 111 # SMARTS matched the SMILES molecule 277: ok 112 # SMARTS matched the SMILES molecule 277: ok 113 # SMARTS matched the SMILES molecule 277: ok 114 # SMARTS matched the SMILES molecule 277: ok 115 # SMARTS matched the SMILES molecule 277: ok 116 # SMARTS matched the SMILES molecule 277: ok 117 # SMARTS matched the SMILES molecule 277: ok 118 # SMARTS matched the SMILES molecule 277: ok 119 # SMARTS matched the SMILES molecule 277: ok 120 # SMARTS matched the SMILES molecule 277: ok 121 # SMARTS matched the SMILES molecule 277: ok 122 # SMARTS matched the SMILES molecule 277: ok 123 # SMARTS matched the SMILES molecule 277: ok 124 # SMARTS matched the SMILES molecule 277: ok 125 # SMARTS matched the SMILES molecule 277: ok 126 # SMARTS matched the SMILES molecule 277: ok 127 # SMARTS matched the SMILES molecule 277: ok 128 # SMARTS matched the SMILES molecule 277: ok 129 # SMARTS matched the SMILES molecule 277: ok 130 # SMARTS matched the SMILES molecule 277: ok 131 # SMARTS matched the SMILES molecule 277: ok 132 # SMARTS matched the SMILES molecule 277: ok 133 # SMARTS matched the SMILES molecule 277: ok 134 # SMARTS matched the SMILES molecule 277: ok 135 # SMARTS matched the SMILES molecule 277: ok 136 # SMARTS matched the SMILES molecule 277: ok 137 # SMARTS matched the SMILES molecule 277: ok 138 # SMARTS matched the SMILES molecule 277: ok 139 # SMARTS matched the SMILES molecule 277: ok 140 # SMARTS matched the SMILES molecule 277: ok 141 # SMARTS matched the SMILES molecule 277: ok 142 # SMARTS matched the SMILES molecule 277: ok 143 # SMARTS matched the SMILES molecule 277: ok 144 # SMARTS matched the SMILES molecule 277: ok 145 # SMARTS matched the SMILES molecule 277: ok 146 # SMARTS matched the SMILES molecule 277: ok 147 # SMARTS matched the SMILES molecule 277: ok 148 # SMARTS matched the SMILES molecule 277: ok 149 # SMARTS matched the SMILES molecule 277: ok 150 # SMARTS matched the SMILES molecule 277: ok 151 # SMARTS matched the SMILES molecule 277: ok 152 # SMARTS matched the SMILES molecule 277: ok 153 # SMARTS matched the SMILES molecule 277: ok 154 # SMARTS matched the SMILES molecule 277: ok 155 # SMARTS matched the SMILES molecule 277: ok 156 # SMARTS matched the SMILES molecule 277: ok 157 # SMARTS matched the SMILES molecule 277: ok 158 # SMARTS matched the SMILES molecule 277: ok 159 # SMARTS matched the SMILES molecule 277: ok 160 # SMARTS matched the SMILES molecule 277: ok 161 # SMARTS matched the SMILES molecule 277: ok 162 # SMARTS matched the SMILES molecule 277: ok 163 # SMARTS matched the SMILES molecule 277: ok 164 # SMARTS matched the SMILES molecule 277: ok 165 # SMARTS matched the SMILES molecule 277: ok 166 # SMARTS matched the SMILES molecule 277: ok 167 # SMARTS matched the SMILES molecule 277: ok 168 # SMARTS matched the SMILES molecule 277: ok 169 # SMARTS matched the SMILES molecule 277: ok 170 # SMARTS matched the SMILES molecule 277: ok 171 # SMARTS matched the SMILES molecule 277: ok 172 # SMARTS matched the SMILES molecule 277: ok 173 # SMARTS matched the SMILES molecule 277: ok 174 # SMARTS matched the SMILES molecule 277: ok 175 # SMARTS matched the SMILES molecule 277: ok 176 # SMARTS matched the SMILES molecule 277: ok 177 # SMARTS matched the SMILES molecule 277: ok 178 # SMARTS matched the SMILES molecule 277: ok 179 # SMARTS matched the SMILES molecule 277: ok 180 # SMARTS matched the SMILES molecule 277: ok 181 # SMARTS matched the SMILES molecule 277: ok 182 # SMARTS matched the SMILES molecule 277: ok 183 # SMARTS matched the SMILES molecule 277: ok 184 # SMARTS matched the SMILES molecule 277: ok 185 # SMARTS matched the SMILES molecule 277: ok 186 # SMARTS matched the SMILES molecule 277: ok 187 # SMARTS matched the SMILES molecule 277: ok 188 # SMARTS matched the SMILES molecule 277: ok 189 # SMARTS matched the SMILES molecule 277: ok 190 # SMARTS matched the SMILES molecule 277: ok 191 # SMARTS matched the SMILES molecule 277: ok 192 # SMARTS matched the SMILES molecule 277: ok 193 # SMARTS matched the SMILES molecule 277: ok 194 # SMARTS matched the SMILES molecule 277: ok 195 # SMARTS matched the SMILES molecule 277: ok 196 # SMARTS matched the SMILES molecule 277: ok 197 # SMARTS matched the SMILES molecule 277: ok 198 # SMARTS matched the SMILES molecule 277: ok 199 # SMARTS matched the SMILES molecule 277: ok 200 # SMARTS matched the SMILES molecule 277: ok 201 # SMARTS matched the SMILES molecule 277: ok 202 # SMARTS matched the SMILES molecule 277: ok 203 # SMARTS matched the SMILES molecule 277: ok 204 # SMARTS matched the SMILES molecule 277: ok 205 # SMARTS matched the SMILES molecule 277: ok 206 # SMARTS matched the SMILES molecule 277: ok 207 # SMARTS matched the SMILES molecule 277: ok 208 # SMARTS matched the SMILES molecule 277: ok 209 # SMARTS matched the SMILES molecule 277: ok 210 # SMARTS matched the SMILES molecule 277: ok 211 # SMARTS matched the SMILES molecule 277: ok 212 # SMARTS matched the SMILES molecule 277: ok 213 # SMARTS matched the SMILES molecule 277: ok 214 # SMARTS matched the SMILES molecule 277: ok 215 # SMARTS matched the SMILES molecule 277: ok 216 # SMARTS matched the SMILES molecule 277: ok 217 # SMARTS matched the SMILES molecule 277: ok 218 # SMARTS matched the SMILES molecule 277: ok 219 # SMARTS matched the SMILES molecule 277: ok 220 # SMARTS matched the SMILES molecule 277: ok 221 # SMARTS matched the SMILES molecule 277: ok 222 # SMARTS matched the SMILES molecule 277: ok 223 # SMARTS matched the SMILES molecule 277: ok 224 # SMARTS matched the SMILES molecule 277: ok 225 # SMARTS matched the SMILES molecule 277: ok 226 # SMARTS matched the SMILES molecule 277: ok 227 # SMARTS matched the SMILES molecule 277: ok 228 # SMARTS matched the SMILES molecule 277: ok 229 # SMARTS matched the SMILES molecule 277: ok 230 # SMARTS matched the SMILES molecule 277: ok 231 # SMARTS matched the SMILES molecule 277: ok 232 # SMARTS matched the SMILES molecule 277: ok 233 # SMARTS matched the SMILES molecule 277: ok 234 # SMARTS matched the SMILES molecule 277: ok 235 # SMARTS matched the SMILES molecule 277: ok 236 # SMARTS matched the SMILES molecule 277: ok 237 # SMARTS matched the SMILES molecule 277: ok 238 # SMARTS matched the SMILES molecule 277: ok 239 # SMARTS matched the SMILES molecule 277: ok 240 # SMARTS matched the SMILES molecule 277: ok 241 # SMARTS matched the SMILES molecule 277: ok 242 # SMARTS matched the SMILES molecule 277: ok 243 # SMARTS matched the SMILES molecule 277: ok 244 # SMARTS matched the SMILES molecule 277: ok 245 # SMARTS matched the SMILES molecule 277: ok 246 # SMARTS matched the SMILES molecule 277: ok 247 # SMARTS matched the SMILES molecule 277: ok 248 # SMARTS matched the SMILES molecule 277: ok 249 # SMARTS matched the SMILES molecule 277: ok 250 # SMARTS matched the SMILES molecule 277: ok 251 # SMARTS matched the SMILES molecule 277: ok 252 # SMARTS matched the SMILES molecule 277: ok 253 # SMARTS matched the SMILES molecule 277: ok 254 # SMARTS matched the SMILES molecule 277: ok 255 # SMARTS matched the SMILES molecule 277: ok 256 # SMARTS matched the SMILES molecule 277: ok 257 # SMARTS matched the SMILES molecule 277: ok 258 # SMARTS matched the SMILES molecule 277: ok 259 # SMARTS matched the SMILES molecule 277: ok 260 # SMARTS matched the SMILES molecule 277: ok 261 # SMARTS matched the SMILES molecule 277: ok 262 # SMARTS matched the SMILES molecule 277: ok 263 # SMARTS matched the SMILES molecule 277: ok 264 # SMARTS matched the SMILES molecule 277: ok 265 # SMARTS matched the SMILES molecule 277: ok 266 # SMARTS matched the SMILES molecule 277: ok 267 # SMARTS matched the SMILES molecule 277: ok 268 # SMARTS matched the SMILES molecule 277: ok 269 # SMARTS matched the SMILES molecule 277: ok 270 # SMARTS matched the SMILES molecule 277: ok 271 # SMARTS matched the SMILES molecule 277: ok 272 # SMARTS matched the SMILES molecule 277: ok 273 # SMARTS matched the SMILES molecule 277: ok 274 # SMARTS matched the SMILES molecule 277: ok 275 # SMARTS matched the SMILES molecule 277: ok 276 # SMARTS matched the SMILES molecule 277: ok 277 # SMARTS matched the SMILES molecule 277: ok 278 # SMARTS matched the SMILES molecule 277: ok 279 # SMARTS matched the SMILES molecule 277: ok 280 # SMARTS matched the SMILES molecule 277: ok 281 # SMARTS matched the SMILES molecule 277: ok 282 # SMARTS matched the SMILES molecule 277: ok 283 # SMARTS matched the SMILES molecule 277: ok 284 # SMARTS matched the SMILES molecule 277: ok 285 # SMARTS matched the SMILES molecule 277: ok 286 # SMARTS matched the SMILES molecule 277: ok 287 # SMARTS matched the SMILES molecule 277: ok 288 # SMARTS matched the SMILES molecule 277: ok 289 # SMARTS matched the SMILES molecule 277: ok 290 # SMARTS matched the SMILES molecule 277: ok 291 # SMARTS matched the SMILES molecule 277: ok 292 # SMARTS matched the SMILES molecule 277: ok 293 # SMARTS matched the SMILES molecule 277: ok 294 # SMARTS matched the SMILES molecule 277: ok 295 # SMARTS matched the SMILES molecule 277: ok 296 # SMARTS matched the SMILES molecule 277: ok 297 # SMARTS matched the SMILES molecule 277: ok 298 # SMARTS matched the SMILES molecule 277: ok 299 # SMARTS matched the SMILES molecule 277: ok 300 # SMARTS matched the SMILES molecule 277: ok 301 # SMARTS matched the SMILES molecule 277: ok 302 # SMARTS matched the SMILES molecule 277: ok 303 # SMARTS matched the SMILES molecule 277: ok 304 # SMARTS matched the SMILES molecule 277: ok 305 # SMARTS matched the SMILES molecule 277: ok 306 # SMARTS matched the SMILES molecule 277: ok 307 # SMARTS matched the SMILES molecule 277: ok 308 # SMARTS matched the SMILES molecule 277: ok 309 # SMARTS matched the SMILES molecule 277: ok 310 # SMARTS matched the SMILES molecule 277: ok 311 # SMARTS matched the SMILES molecule 277: ok 312 # SMARTS matched the SMILES molecule 277: ok 313 # SMARTS matched the SMILES molecule 277: ok 314 # SMARTS matched the SMILES molecule 277: ok 315 # SMARTS matched the SMILES molecule 277: ok 316 # SMARTS matched the SMILES molecule 277: ok 317 # SMARTS matched the SMILES molecule 277: ok 318 # SMARTS matched the SMILES molecule 277: ok 319 # SMARTS matched the SMILES molecule 277: ok 320 # SMARTS matched the SMILES molecule 277: ok 321 # SMARTS matched the SMILES molecule 277: ok 322 # SMARTS matched the SMILES molecule 277: ok 323 # SMARTS matched the SMILES molecule 277: ok 324 # SMARTS matched the SMILES molecule 277: ok 325 # SMARTS matched the SMILES molecule 277: ok 326 # SMARTS matched the SMILES molecule 277: ok 327 # SMARTS matched the SMILES molecule 277: ok 328 # SMARTS matched the SMILES molecule 277: ok 329 # SMARTS matched the SMILES molecule 277: ok 330 # SMARTS matched the SMILES molecule 277: ok 331 # SMARTS matched the SMILES molecule 277: ok 332 # SMARTS matched the SMILES molecule 277: ok 333 # SMARTS matched the SMILES molecule 277: ok 334 # SMARTS matched the SMILES molecule 277: ok 335 # SMARTS matched the SMILES molecule 277: ok 336 # SMARTS matched the SMILES molecule 277: ok 337 # SMARTS matched the SMILES molecule 277: ok 338 # SMARTS matched the SMILES molecule 277: ok 339 # SMARTS matched the SMILES molecule 277: ok 340 # SMARTS matched the SMILES molecule 277: ok 341 # SMARTS matched the SMILES molecule 277: ok 342 # SMARTS matched the SMILES molecule 277: ok 343 # SMARTS matched the SMILES molecule 277: ok 344 # SMARTS matched the SMILES molecule 277: ok 345 # SMARTS matched the SMILES molecule 277: ok 346 # SMARTS matched the SMILES molecule 277: ok 347 # SMARTS matched the SMILES molecule 277: ok 348 # SMARTS matched the SMILES molecule 277: ok 349 # SMARTS matched the SMILES molecule 277: ok 350 # SMARTS matched the SMILES molecule 277: ok 351 # SMARTS matched the SMILES molecule 277: ok 352 # SMARTS matched the SMILES molecule 277: ok 353 # SMARTS matched the SMILES molecule 277: ok 354 # SMARTS matched the SMILES molecule 277: ok 355 # SMARTS matched the SMILES molecule 277: ok 356 # SMARTS matched the SMILES molecule 277: ok 357 # SMARTS matched the SMILES molecule 277: ok 358 # SMARTS matched the SMILES molecule 277: ok 359 # SMARTS matched the SMILES molecule 277: ok 360 # SMARTS matched the SMILES molecule 277: ok 361 # SMARTS matched the SMILES molecule 277: ok 362 # SMARTS matched the SMILES molecule 277: ok 363 # SMARTS matched the SMILES molecule 277: ok 364 # SMARTS matched the SMILES molecule 277: ok 365 # SMARTS matched the SMILES molecule 277: ok 366 # SMARTS matched the SMILES molecule 277: ok 367 # SMARTS matched the SMILES molecule 277: ok 368 # SMARTS matched the SMILES molecule 277: ok 369 # SMARTS matched the SMILES molecule 277: ok 370 # SMARTS matched the SMILES molecule 277: ok 371 # SMARTS matched the SMILES molecule 277: ok 372 # SMARTS matched the SMILES molecule 277: ok 373 # SMARTS matched the SMILES molecule 277: ok 374 # SMARTS matched the SMILES molecule 277: ok 375 # SMARTS matched the SMILES molecule 277: ok 376 # SMARTS matched the SMILES molecule 277: ok 377 # SMARTS matched the SMILES molecule 277: ok 378 # SMARTS matched the SMILES molecule 277: ok 379 # SMARTS matched the SMILES molecule 277: ok 380 # SMARTS matched the SMILES molecule 277: ok 381 # SMARTS matched the SMILES molecule 277: ok 382 # SMARTS matched the SMILES molecule 277: ok 383 # SMARTS matched the SMILES molecule 277: ok 384 # SMARTS matched the SMILES molecule 277: ok 385 # SMARTS matched the SMILES molecule 277: ok 386 # SMARTS matched the SMILES molecule 277: ok 387 # SMARTS matched the SMILES molecule 277: ok 388 # SMARTS matched the SMILES molecule 277: ok 389 # SMARTS matched the SMILES molecule 277: ok 390 # SMARTS matched the SMILES molecule 277: ok 391 # SMARTS matched the SMILES molecule 277: ok 392 # SMARTS matched the SMILES molecule 277: ok 393 # SMARTS matched the SMILES molecule 277: ok 394 # SMARTS matched the SMILES molecule 277: ok 395 # SMARTS matched the SMILES molecule 277: ok 396 # SMARTS matched the SMILES molecule 277: ok 397 # SMARTS matched the SMILES molecule 277: ok 398 # SMARTS matched the SMILES molecule 277: ok 399 # SMARTS matched the SMILES molecule 277: ok 400 # SMARTS matched the SMILES molecule 277: ok 401 # SMARTS matched the SMILES molecule 277: ok 402 # SMARTS matched the SMILES molecule 277: ok 403 # SMARTS matched the SMILES molecule 277: ok 404 # SMARTS matched the SMILES molecule 277: ok 405 # SMARTS matched the SMILES molecule 277: ok 406 # SMARTS matched the SMILES molecule 277: ok 407 # SMARTS matched the SMILES molecule 277: ok 408 # SMARTS matched the SMILES molecule 277: ok 409 # SMARTS matched the SMILES molecule 277: ok 410 # SMARTS matched the SMILES molecule 277: ok 411 # SMARTS matched the SMILES molecule 277: ok 412 # SMARTS matched the SMILES molecule 277: ok 413 # SMARTS matched the SMILES molecule 277: ok 414 # SMARTS matched the SMILES molecule 277: ok 415 # SMARTS matched the SMILES molecule 277: ok 416 # SMARTS matched the SMILES molecule 277: ok 417 # SMARTS matched the SMILES molecule 277: ok 418 # SMARTS matched the SMILES molecule 277: ok 419 # SMARTS matched the SMILES molecule 277: ok 420 # SMARTS matched the SMILES molecule 277: ok 421 # SMARTS matched the SMILES molecule 277: ok 422 # SMARTS matched the SMILES molecule 277: ok 423 # SMARTS matched the SMILES molecule 277: ok 424 # SMARTS matched the SMILES molecule 277: ok 425 # SMARTS matched the SMILES molecule 277: ok 426 # SMARTS matched the SMILES molecule 277: ok 427 # SMARTS matched the SMILES molecule 277: ok 428 # SMARTS matched the SMILES molecule 277: ok 429 # SMARTS matched the SMILES molecule 277: ok 430 # SMARTS matched the SMILES molecule 277: ok 431 # SMARTS matched the SMILES molecule 277: ok 432 # SMARTS matched the SMILES molecule 277: ok 433 # SMARTS matched the SMILES molecule 277: ok 434 # SMARTS matched the SMILES molecule 277: ok 435 # SMARTS matched the SMILES molecule 277: ok 436 # SMARTS matched the SMILES molecule 277: ok 437 # SMARTS matched the SMILES molecule 277: ok 438 # SMARTS matched the SMILES molecule 277: ok 439 # SMARTS matched the SMILES molecule 277: ok 440 # SMARTS matched the SMILES molecule 277: ok 441 # SMARTS matched the SMILES molecule 277: ok 442 # SMARTS matched the SMILES molecule 277: ok 443 # SMARTS matched the SMILES molecule 277: ok 444 # SMARTS matched the SMILES molecule 277: ok 445 # SMARTS matched the SMILES molecule 277: ok 446 # SMARTS matched the SMILES molecule 277: ok 447 # SMARTS matched the SMILES molecule 277: ok 448 # SMARTS matched the SMILES molecule 277: ok 449 # SMARTS matched the SMILES molecule 277: ok 450 # SMARTS matched the SMILES molecule 277: ok 451 # SMARTS matched the SMILES molecule 277: ok 452 # SMARTS matched the SMILES molecule 277: ok 453 # SMARTS matched the SMILES molecule 277: ok 454 # SMARTS matched the SMILES molecule 277: ok 455 # SMARTS matched the SMILES molecule 277: ok 456 # SMARTS matched the SMILES molecule 277: ok 457 # SMARTS matched the SMILES molecule 277: ok 458 # SMARTS matched the SMILES molecule 277: ok 459 # SMARTS matched the SMILES molecule 277: ok 460 # SMARTS matched the SMILES molecule 277: ok 461 # SMARTS matched the SMILES molecule 277: ok 462 # SMARTS matched the SMILES molecule 277: ok 463 # SMARTS matched the SMILES molecule 277: ok 464 # SMARTS matched the SMILES molecule 277: ok 465 # SMARTS matched the SMILES molecule 277: ok 466 # SMARTS matched the SMILES molecule 277: ok 467 # SMARTS matched the SMILES molecule 277: ok 468 # SMARTS matched the SMILES molecule 277: ok 469 # SMARTS matched the SMILES molecule 277: ok 470 # SMARTS matched the SMILES molecule 277: ok 471 # SMARTS matched the SMILES molecule 277: ok 472 # SMARTS matched the SMILES molecule 277: ok 473 # SMARTS matched the SMILES molecule 277: ok 474 # SMARTS matched the SMILES molecule 277: ok 475 # SMARTS matched the SMILES molecule 277: ok 476 # SMARTS matched the SMILES molecule 277: ok 477 # SMARTS matched the SMILES molecule 277: ok 478 # SMARTS matched the SMILES molecule 277: ok 479 # SMARTS matched the SMILES molecule 277: ok 480 # SMARTS matched the SMILES molecule 277: ok 481 # SMARTS matched the SMILES molecule 277: ok 482 # SMARTS matched the SMILES molecule 277: ok 483 # SMARTS matched the SMILES molecule 277: ok 484 # SMARTS matched the SMILES molecule 277: ok 485 # SMARTS matched the SMILES molecule 277: ok 486 # SMARTS matched the SMILES molecule 277: ok 487 # SMARTS matched the SMILES molecule 277: ok 488 # SMARTS matched the SMILES molecule 277: ok 489 # SMARTS matched the SMILES molecule 277: ok 490 # SMARTS matched the SMILES molecule 277: ok 491 # SMARTS matched the SMILES molecule 277: ok 492 # SMARTS matched the SMILES molecule 277: ok 493 # SMARTS matched the SMILES molecule 277: ok 494 # SMARTS matched the SMILES molecule 277: ok 495 # SMARTS matched the SMILES molecule 277: ok 496 # SMARTS matched the SMILES molecule 277: ok 497 # SMARTS matched the SMILES molecule 277: ok 498 # SMARTS matched the SMILES molecule 277: ok 499 # SMARTS matched the SMILES molecule 277: ok 500 # SMARTS matched the SMILES molecule 277: ok 501 # SMARTS matched the SMILES molecule 277: ok 502 # SMARTS matched the SMILES molecule 277: ok 503 # SMARTS matched the SMILES molecule 277: ok 504 # SMARTS matched the SMILES molecule 277: ok 505 # SMARTS matched the SMILES molecule 277: ok 506 # SMARTS matched the SMILES molecule 277: ok 507 # SMARTS matched the SMILES molecule 277: ok 508 # SMARTS matched the SMILES molecule 277: ok 509 # SMARTS matched the SMILES molecule 277: ok 510 # SMARTS matched the SMILES molecule 277: ok 511 # SMARTS matched the SMILES molecule 277: ok 512 # SMARTS matched the SMILES molecule 277: ok 513 # SMARTS matched the SMILES molecule 277: ok 514 # SMARTS matched the SMILES molecule 277: ok 515 # SMARTS matched the SMILES molecule 277: ok 516 # SMARTS matched the SMILES molecule 277: ok 517 # SMARTS matched the SMILES molecule 277: ok 518 # SMARTS matched the SMILES molecule 277: ok 519 # SMARTS matched the SMILES molecule 277: ok 520 # SMARTS matched the SMILES molecule 277: ok 521 # SMARTS matched the SMILES molecule 277: ok 522 # SMARTS matched the SMILES molecule 277: ok 523 # SMARTS matched the SMILES molecule 277: ok 524 # SMARTS matched the SMILES molecule 277: ok 525 # SMARTS matched the SMILES molecule 277: ok 526 # SMARTS matched the SMILES molecule 277: ok 527 # SMARTS matched the SMILES molecule 277: ok 528 # SMARTS matched the SMILES molecule 277: ok 529 # SMARTS matched the SMILES molecule 277: ok 530 # SMARTS matched the SMILES molecule 277: ok 531 # SMARTS matched the SMILES molecule 277: ok 532 # SMARTS matched the SMILES molecule 277: ok 533 # SMARTS matched the SMILES molecule 277: ok 534 # SMARTS matched the SMILES molecule 277: ok 535 # SMARTS matched the SMILES molecule 277: ok 536 # SMARTS matched the SMILES molecule 277: ok 537 # SMARTS matched the SMILES molecule 277: ok 538 # SMARTS matched the SMILES molecule 277: ok 539 # SMARTS matched the SMILES molecule 277: ok 540 # SMARTS matched the SMILES molecule 277: ok 541 # SMARTS matched the SMILES molecule 277: ok 542 # SMARTS matched the SMILES molecule 277: ok 543 # SMARTS matched the SMILES molecule 277: ok 544 # SMARTS matched the SMILES molecule 277: ok 545 # SMARTS matched the SMILES molecule 277: ok 546 # SMARTS matched the SMILES molecule 277: ok 547 # SMARTS matched the SMILES molecule 277: ok 548 # SMARTS matched the SMILES molecule 277: ok 549 # SMARTS matched the SMILES molecule 277: ok 550 # SMARTS matched the SMILES molecule 277: ok 551 # SMARTS matched the SMILES molecule 277: ok 552 # SMARTS matched the SMILES molecule 277: ok 553 # SMARTS matched the SMILES molecule 277: ok 554 # SMARTS matched the SMILES molecule 277: ok 555 # SMARTS matched the SMILES molecule 277: ok 556 # SMARTS matched the SMILES molecule 277: ok 557 # SMARTS matched the SMILES molecule 277: ok 558 # SMARTS matched the SMILES molecule 277: ok 559 # SMARTS matched the SMILES molecule 277: ok 560 # SMARTS matched the SMILES molecule 277: ok 561 # SMARTS matched the SMILES molecule 277: ok 562 # SMARTS matched the SMILES molecule 277: ok 563 # SMARTS matched the SMILES molecule 277: ok 564 # SMARTS matched the SMILES molecule 277: ok 565 # SMARTS matched the SMILES molecule 277: ok 566 # SMARTS matched the SMILES molecule 277: ok 567 # SMARTS matched the SMILES molecule 277: ok 568 # SMARTS matched the SMILES molecule 277: ok 569 # SMARTS matched the SMILES molecule 277: ok 570 # SMARTS matched the SMILES molecule 277: ok 571 # SMARTS matched the SMILES molecule 277: ok 572 # SMARTS matched the SMILES molecule 277: ok 573 # SMARTS matched the SMILES molecule 277: ok 574 # SMARTS matched the SMILES molecule 277: ok 575 # SMARTS matched the SMILES molecule 277: ok 576 # SMARTS matched the SMILES molecule 277: ok 577 # SMARTS matched the SMILES molecule 277: ok 578 # SMARTS matched the SMILES molecule 277: ok 579 # SMARTS matched the SMILES molecule 277: ok 580 # SMARTS matched the SMILES molecule 277: ok 581 # SMARTS matched the SMILES molecule 277: ok 582 # SMARTS matched the SMILES molecule 277: ok 583 # SMARTS matched the SMILES molecule 277: ok 584 # SMARTS matched the SMILES molecule 277: ok 585 # SMARTS matched the SMILES molecule 277: ok 586 # SMARTS matched the SMILES molecule 277: ok 587 # SMARTS matched the SMILES molecule 277: ok 588 # SMARTS matched the SMILES molecule 277: ok 589 # SMARTS matched the SMILES molecule 277: ok 590 # SMARTS matched the SMILES molecule 277: ok 591 # SMARTS matched the SMILES molecule 277: ok 592 # SMARTS matched the SMILES molecule 277: ok 593 # SMARTS matched the SMILES molecule 277: ok 594 # SMARTS matched the SMILES molecule 277: ok 595 # SMARTS matched the SMILES molecule 277: ok 596 # SMARTS matched the SMILES molecule 277: ok 597 # SMARTS matched the SMILES molecule 277: ok 598 # SMARTS matched the SMILES molecule 277: ok 599 # SMARTS matched the SMILES molecule 277: ok 600 # SMARTS matched the SMILES molecule 277: ok 601 # SMARTS matched the SMILES molecule 277: ok 602 # SMARTS matched the SMILES molecule 277: ok 603 # SMARTS matched the SMILES molecule 277: ok 604 # SMARTS matched the SMILES molecule 277: ok 605 # SMARTS matched the SMILES molecule 277: ok 606 # SMARTS matched the SMILES molecule 277: ok 607 # SMARTS matched the SMILES molecule 277: ok 608 # SMARTS matched the SMILES molecule 277: ok 609 # SMARTS matched the SMILES molecule 277: ok 610 # SMARTS matched the SMILES molecule 277: ok 611 # SMARTS matched the SMILES molecule 277: ok 612 # SMARTS matched the SMILES molecule 277: ok 613 # SMARTS matched the SMILES molecule 277: ok 614 # SMARTS matched the SMILES molecule 277: ok 615 # SMARTS matched the SMILES molecule 277: ok 616 # SMARTS matched the SMILES molecule 277: ok 617 # SMARTS matched the SMILES molecule 277: ok 618 # SMARTS matched the SMILES molecule 277: ok 619 # SMARTS matched the SMILES molecule 277: ok 620 # SMARTS matched the SMILES molecule 277: ok 621 # SMARTS matched the SMILES molecule 277: ok 622 # SMARTS matched the SMILES molecule 277: ok 623 # SMARTS matched the SMILES molecule 277: ok 624 # SMARTS matched the SMILES molecule 277: ok 625 # SMARTS matched the SMILES molecule 277: ok 626 # SMARTS matched the SMILES molecule 277: ok 627 # SMARTS matched the SMILES molecule 277: ok 628 # SMARTS matched the SMILES molecule 277: ok 629 # SMARTS matched the SMILES molecule 277: ok 630 # SMARTS matched the SMILES molecule 277: ok 631 # SMARTS matched the SMILES molecule 277: ok 632 # SMARTS matched the SMILES molecule 277: ok 633 # SMARTS matched the SMILES molecule 277: ok 634 # SMARTS matched the SMILES molecule 277: ok 635 # SMARTS matched the SMILES molecule 277: ok 636 # SMARTS matched the SMILES molecule 277: ok 637 # SMARTS matched the SMILES molecule 277: ok 638 # SMARTS matched the SMILES molecule 277: ok 639 # SMARTS matched the SMILES molecule 277: ok 640 # SMARTS matched the SMILES molecule 277: ok 641 # SMARTS matched the SMILES molecule 277: ok 642 # SMARTS matched the SMILES molecule 277: ok 643 # SMARTS matched the SMILES molecule 277: ok 644 # SMARTS matched the SMILES molecule 277: ok 645 # SMARTS matched the SMILES molecule 277: ok 646 # SMARTS matched the SMILES molecule 277: ok 647 # SMARTS matched the SMILES molecule 277: ok 648 # SMARTS matched the SMILES molecule 277: ok 649 # SMARTS matched the SMILES molecule 277: ok 650 # SMARTS matched the SMILES molecule 277: ok 651 # SMARTS matched the SMILES molecule 277: ok 652 # SMARTS matched the SMILES molecule 277: ok 653 # SMARTS matched the SMILES molecule 277: ok 654 # SMARTS matched the SMILES molecule 277: ok 655 # SMARTS matched the SMILES molecule 277: ok 656 # SMARTS matched the SMILES molecule 277: ok 657 # SMARTS matched the SMILES molecule 277: ok 658 # SMARTS matched the SMILES molecule 277: ok 659 # SMARTS matched the SMILES molecule 277: ok 660 # SMARTS matched the SMILES molecule 277: ok 661 # SMARTS matched the SMILES molecule 277: ok 662 # SMARTS matched the SMILES molecule 277: ok 663 # SMARTS matched the SMILES molecule 277: ok 664 # SMARTS matched the SMILES molecule 277: ok 665 # SMARTS matched the SMILES molecule 277: ok 666 # SMARTS matched the SMILES molecule 277: ok 667 # SMARTS matched the SMILES molecule 277: ok 668 # SMARTS matched the SMILES molecule 277: ok 669 # SMARTS matched the SMILES molecule 277: ok 670 # SMARTS matched the SMILES molecule 277: ok 671 # SMARTS matched the SMILES molecule 277: ok 672 # SMARTS matched the SMILES molecule 277: ok 673 # SMARTS matched the SMILES molecule 277: ok 674 # SMARTS matched the SMILES molecule 277: ok 675 # SMARTS matched the SMILES molecule 277: ok 676 # SMARTS matched the SMILES molecule 277: ok 677 # SMARTS matched the SMILES molecule 277: ok 678 # SMARTS matched the SMILES molecule 277: ok 679 # SMARTS matched the SMILES molecule 277: ok 680 # SMARTS matched the SMILES molecule 277: ok 681 # SMARTS matched the SMILES molecule 277: ok 682 # SMARTS matched the SMILES molecule 277: ok 683 # SMARTS matched the SMILES molecule 277: ok 684 # SMARTS matched the SMILES molecule 277: ok 685 # SMARTS matched the SMILES molecule 277: ok 686 # SMARTS matched the SMILES molecule 277: ok 687 # SMARTS matched the SMILES molecule 277: ok 688 # SMARTS matched the SMILES molecule 277: ok 689 # SMARTS matched the SMILES molecule 277: ok 690 # SMARTS matched the SMILES molecule 277: ok 691 # SMARTS matched the SMILES molecule 277: ok 692 # SMARTS matched the SMILES molecule 277: ok 693 # SMARTS matched the SMILES molecule 277: ok 694 # SMARTS matched the SMILES molecule 277: ok 695 # SMARTS matched the SMILES molecule 277: ok 696 # SMARTS matched the SMILES molecule 277: ok 697 # SMARTS matched the SMILES molecule 277: ok 698 # SMARTS matched the SMILES molecule 277: ok 699 # SMARTS matched the SMILES molecule 277: ok 700 # SMARTS matched the SMILES molecule 277: ok 701 # SMARTS matched the SMILES molecule 277: ok 702 # SMARTS matched the SMILES molecule 277: ok 703 # SMARTS matched the SMILES molecule 277: ok 704 # SMARTS matched the SMILES molecule 277: ok 705 # SMARTS matched the SMILES molecule 277: ok 706 # SMARTS matched the SMILES molecule 277: ok 707 # SMARTS matched the SMILES molecule 277: ok 708 # SMARTS matched the SMILES molecule 277: ok 709 # SMARTS matched the SMILES molecule 277: ok 710 # SMARTS matched the SMILES molecule 277: ok 711 # SMARTS matched the SMILES molecule 277: ok 712 # SMARTS matched the SMILES molecule 277: ok 713 # SMARTS matched the SMILES molecule 277: ok 714 # SMARTS matched the SMILES molecule 277: ok 715 # SMARTS matched the SMILES molecule 277: ok 716 # SMARTS matched the SMILES molecule 277: ok 717 # SMARTS matched the SMILES molecule 277: ok 718 # SMARTS matched the SMILES molecule 277: ok 719 # SMARTS matched the SMILES molecule 277: ok 720 # SMARTS matched the SMILES molecule 277: ok 721 # SMARTS matched the SMILES molecule 277: ok 722 # SMARTS matched the SMILES molecule 277: ok 723 # SMARTS matched the SMILES molecule 277: ok 724 # SMARTS matched the SMILES molecule 277: ok 725 # SMARTS matched the SMILES molecule 277: ok 726 # SMARTS matched the SMILES molecule 277: ok 727 # SMARTS matched the SMILES molecule 277: ok 728 # SMARTS matched the SMILES molecule 277: ok 729 # SMARTS matched the SMILES molecule 277: ok 730 # SMARTS matched the SMILES molecule 277: ok 731 # SMARTS matched the SMILES molecule 277: ok 732 # SMARTS matched the SMILES molecule 277: ok 733 # SMARTS matched the SMILES molecule 277: ok 734 # SMARTS matched the SMILES molecule 277: ok 735 # SMARTS matched the SMILES molecule 277: ok 736 # SMARTS matched the SMILES molecule 277: ok 737 # SMARTS matched the SMILES molecule 277: ok 738 # SMARTS matched the SMILES molecule 277: ok 739 # SMARTS matched the SMILES molecule 277: ok 740 # SMARTS matched the SMILES molecule 277: ok 741 # SMARTS matched the SMILES molecule 277: ok 742 # SMARTS matched the SMILES molecule 277: ok 743 # SMARTS matched the SMILES molecule 277: ok 744 # SMARTS matched the SMILES molecule 277: ok 745 # SMARTS matched the SMILES molecule 277: ok 746 # SMARTS matched the SMILES molecule 277: ok 747 # SMARTS matched the SMILES molecule 277: ok 748 # SMARTS matched the SMILES molecule 277: ok 749 # SMARTS matched the SMILES molecule 277: ok 750 # SMARTS matched the SMILES molecule 277: ok 751 # SMARTS matched the SMILES molecule 277: ok 752 # SMARTS matched the SMILES molecule 277: ok 753 # SMARTS matched the SMILES molecule 277: ok 754 # SMARTS matched the SMILES molecule 277: ok 755 # SMARTS matched the SMILES molecule 277: ok 756 # SMARTS matched the SMILES molecule 277: ok 757 # SMARTS matched the SMILES molecule 277: ok 758 # SMARTS matched the SMILES molecule 277: ok 759 # SMARTS matched the SMILES molecule 277: ok 760 # SMARTS matched the SMILES molecule 277: ok 761 # SMARTS matched the SMILES molecule 277: ok 762 # SMARTS matched the SMILES molecule 277: ok 763 # SMARTS matched the SMILES molecule 277: ok 764 # SMARTS matched the SMILES molecule 277: ok 765 # SMARTS matched the SMILES molecule 277: ok 766 # SMARTS matched the SMILES molecule 277: ok 767 # SMARTS matched the SMILES molecule 277: ok 768 # SMARTS matched the SMILES molecule 277: ok 769 # SMARTS matched the SMILES molecule 277: ok 770 # SMARTS matched the SMILES molecule 277: ok 771 # SMARTS matched the SMILES molecule 277: ok 772 # SMARTS matched the SMILES molecule 277: ok 773 # SMARTS matched the SMILES molecule 277: ok 774 # SMARTS matched the SMILES molecule 277: ok 775 # SMARTS matched the SMILES molecule 277: ok 776 # SMARTS matched the SMILES molecule 277: ok 777 # SMARTS matched the SMILES molecule 277: ok 778 # SMARTS matched the SMILES molecule 277: ok 779 # SMARTS matched the SMILES molecule 277: ok 780 # SMARTS matched the SMILES molecule 277: ok 781 # SMARTS matched the SMILES molecule 277: ok 782 # SMARTS matched the SMILES molecule 277: ok 783 # SMARTS matched the SMILES molecule 277: ok 784 # SMARTS matched the SMILES molecule 277: ok 785 # SMARTS matched the SMILES molecule 277: ok 786 # SMARTS matched the SMILES molecule 277: ok 787 # SMARTS matched the SMILES molecule 277: ok 788 # SMARTS matched the SMILES molecule 277: ok 789 # SMARTS matched the SMILES molecule 277: ok 790 # SMARTS matched the SMILES molecule 277: ok 791 # SMARTS matched the SMILES molecule 277: ok 792 # SMARTS matched the SMILES molecule 277: ok 793 # SMARTS matched the SMILES molecule 277: ok 794 # SMARTS matched the SMILES molecule 277: ok 795 # SMARTS matched the SMILES molecule 277: ok 796 # SMARTS matched the SMILES molecule 277: ok 797 # SMARTS matched the SMILES molecule 277: ok 798 # SMARTS matched the SMILES molecule 277: ok 799 # SMARTS matched the SMILES molecule 277: ok 800 # SMARTS matched the SMILES molecule 277: ok 801 # SMARTS matched the SMILES molecule 277: ok 802 # SMARTS matched the SMILES molecule 277: ok 803 # SMARTS matched the SMILES molecule 277: ok 804 # SMARTS matched the SMILES molecule 277: ok 805 # SMARTS matched the SMILES molecule 277: ok 806 # SMARTS matched the SMILES molecule 277: ok 807 # SMARTS matched the SMILES molecule 277: ok 808 # SMARTS matched the SMILES molecule 277: ok 809 # SMARTS matched the SMILES molecule 277: ok 810 # SMARTS matched the SMILES molecule 277: ok 811 # SMARTS matched the SMILES molecule 277: ok 812 # SMARTS matched the SMILES molecule 277: ok 813 # SMARTS matched the SMILES molecule 277: ok 814 # SMARTS matched the SMILES molecule 277: ok 815 # SMARTS matched the SMILES molecule 277: ok 816 # SMARTS matched the SMILES molecule 277: ok 817 # SMARTS matched the SMILES molecule 277: ok 818 # SMARTS matched the SMILES molecule 277: ok 819 # SMARTS matched the SMILES molecule 277: ok 820 # SMARTS matched the SMILES molecule 277: ok 821 # SMARTS matched the SMILES molecule 277: ok 822 # SMARTS matched the SMILES molecule 277: ok 823 # SMARTS matched the SMILES molecule 277: ok 824 # SMARTS matched the SMILES molecule 277: ok 825 # SMARTS matched the SMILES molecule 277: ok 826 # SMARTS matched the SMILES molecule 277: ok 827 # SMARTS matched the SMILES molecule 277: ok 828 # SMARTS matched the SMILES molecule 277: ok 829 # SMARTS matched the SMILES molecule 277: ok 830 # SMARTS matched the SMILES molecule 277: ok 831 # SMARTS matched the SMILES molecule 277: ok 832 # SMARTS matched the SMILES molecule 277: ok 833 # SMARTS matched the SMILES molecule 277: ok 834 # SMARTS matched the SMILES molecule 277: ok 835 # SMARTS matched the SMILES molecule 277: ok 836 # SMARTS matched the SMILES molecule 277: ok 837 # SMARTS matched the SMILES molecule 277: ok 838 # SMARTS matched the SMILES molecule 277: ok 839 # SMARTS matched the SMILES molecule 277: ok 840 # SMARTS matched the SMILES molecule 277: ok 841 # SMARTS matched the SMILES molecule 277: ok 842 # SMARTS matched the SMILES molecule 277: ok 843 # SMARTS matched the SMILES molecule 277: ok 844 # SMARTS matched the SMILES molecule 277: ok 845 # SMARTS matched the SMILES molecule 277: ok 846 # SMARTS matched the SMILES molecule 277: ok 847 # SMARTS matched the SMILES molecule 277: ok 848 # SMARTS matched the SMILES molecule 277: ok 849 # SMARTS matched the SMILES molecule 277: ok 850 # SMARTS matched the SMILES molecule 277: ok 851 # SMARTS matched the SMILES molecule 277: ok 852 # SMARTS matched the SMILES molecule 277: ok 853 # SMARTS matched the SMILES molecule 277: ok 854 # SMARTS matched the SMILES molecule 277: ok 855 # SMARTS matched the SMILES molecule 277: ok 856 # SMARTS matched the SMILES molecule 277: ok 857 # SMARTS matched the SMILES molecule 277: ok 858 # SMARTS matched the SMILES molecule 277: ok 859 # SMARTS matched the SMILES molecule 277: ok 860 # SMARTS matched the SMILES molecule 277: ok 861 # SMARTS matched the SMILES molecule 277: ok 862 # SMARTS matched the SMILES molecule 277: ok 863 # SMARTS matched the SMILES molecule 277: ok 864 # SMARTS matched the SMILES molecule 277: ok 865 # SMARTS matched the SMILES molecule 277: ok 866 # SMARTS matched the SMILES molecule 277: ok 867 # SMARTS matched the SMILES molecule 277: ok 868 # SMARTS matched the SMILES molecule 277: ok 869 # SMARTS matched the SMILES molecule 277: ok 870 # SMARTS matched the SMILES molecule 277: ok 871 # SMARTS matched the SMILES molecule 277: ok 872 # SMARTS matched the SMILES molecule 277: ok 873 # SMARTS matched the SMILES molecule 277: ok 874 # SMARTS matched the SMILES molecule 277: ok 875 # SMARTS matched the SMILES molecule 277: ok 876 # SMARTS matched the SMILES molecule 277: ok 877 # SMARTS matched the SMILES molecule 277: ok 878 # SMARTS matched the SMILES molecule 277: ok 879 # SMARTS matched the SMILES molecule 277: ok 880 # SMARTS matched the SMILES molecule 277: ok 881 # SMARTS matched the SMILES molecule 277: ok 882 # SMARTS matched the SMILES molecule 277: ok 883 # SMARTS matched the SMILES molecule 277: ok 884 # SMARTS matched the SMILES molecule 277: ok 885 # SMARTS matched the SMILES molecule 277: ok 886 # SMARTS matched the SMILES molecule 277: ok 887 # SMARTS matched the SMILES molecule 277: ok 888 # SMARTS matched the SMILES molecule 277: ok 889 # SMARTS matched the SMILES molecule 277: ok 890 # SMARTS matched the SMILES molecule 277: ok 891 # SMARTS matched the SMILES molecule 277: ok 892 # SMARTS matched the SMILES molecule 277: ok 893 # SMARTS matched the SMILES molecule 277: ok 894 # SMARTS matched the SMILES molecule 277: ok 895 # SMARTS matched the SMILES molecule 277: ok 896 # SMARTS matched the SMILES molecule 277: ok 897 # SMARTS matched the SMILES molecule 277: ok 898 # SMARTS matched the SMILES molecule 277: ok 899 # SMARTS matched the SMILES molecule 277: ok 900 # SMARTS matched the SMILES molecule 277: ok 901 # SMARTS matched the SMILES molecule 277: ok 902 # SMARTS matched the SMILES molecule 277: ok 903 # SMARTS matched the SMILES molecule 277: ok 904 # SMARTS matched the SMILES molecule 277: ok 905 # SMARTS matched the SMILES molecule 277: ok 906 # SMARTS matched the SMILES molecule 277: ok 907 # SMARTS matched the SMILES molecule 277: ok 908 # SMARTS matched the SMILES molecule 277: ok 909 # SMARTS matched the SMILES molecule 277: ok 910 # SMARTS matched the SMILES molecule 277: ok 911 # SMARTS matched the SMILES molecule 277: ok 912 # SMARTS matched the SMILES molecule 277: ok 913 # SMARTS matched the SMILES molecule 277: ok 914 # SMARTS matched the SMILES molecule 277: ok 915 # SMARTS matched the SMILES molecule 277: ok 916 # SMARTS matched the SMILES molecule 277: ok 917 # SMARTS matched the SMILES molecule 277: ok 918 # SMARTS matched the SMILES molecule 277: ok 919 # SMARTS matched the SMILES molecule 277: ok 920 # SMARTS matched the SMILES molecule 277: ok 921 # SMARTS matched the SMILES molecule 277: ok 922 # SMARTS matched the SMILES molecule 277: ok 923 # SMARTS matched the SMILES molecule 277: ok 924 # SMARTS matched the SMILES molecule 277: ok 925 # SMARTS matched the SMILES molecule 277: ok 926 # SMARTS matched the SMILES molecule 277: ok 927 # SMARTS matched the SMILES molecule 277: ok 928 # SMARTS matched the SMILES molecule 277: ok 929 # SMARTS matched the SMILES molecule 277: ok 930 # SMARTS matched the SMILES molecule 277: ok 931 # SMARTS matched the SMILES molecule 277: ok 932 # SMARTS matched the SMILES molecule 277: ok 933 # SMARTS matched the SMILES molecule 277: ok 934 # SMARTS matched the SMILES molecule 277: ok 935 # SMARTS matched the SMILES molecule 277: ok 936 # SMARTS matched the SMILES molecule 277: ok 937 # SMARTS matched the SMILES molecule 277: ok 938 # SMARTS matched the SMILES molecule 277: ok 939 # SMARTS matched the SMILES molecule 277: ok 940 # SMARTS matched the SMILES molecule 277: ok 941 # SMARTS matched the SMILES molecule 277: ok 942 # SMARTS matched the SMILES molecule 277: ok 943 # SMARTS matched the SMILES molecule 277: ok 944 # SMARTS matched the SMILES molecule 277: ok 945 # SMARTS matched the SMILES molecule 277: ok 946 # SMARTS matched the SMILES molecule 277: ok 947 # SMARTS matched the SMILES molecule 277: ok 948 # SMARTS matched the SMILES molecule 277: ok 949 # SMARTS matched the SMILES molecule 277: ok 950 # SMARTS matched the SMILES molecule 277: ok 951 # SMARTS matched the SMILES molecule 277: ok 952 # SMARTS matched the SMILES molecule 277: ok 953 # SMARTS matched the SMILES molecule 277: ok 954 # SMARTS matched the SMILES molecule 277: ok 955 # SMARTS matched the SMILES molecule 277: ok 956 # SMARTS matched the SMILES molecule 277: ok 957 # SMARTS matched the SMILES molecule 277: ok 958 # SMARTS matched the SMILES molecule 277: ok 959 # SMARTS matched the SMILES molecule 277: ok 960 # SMARTS matched the SMILES molecule 277: ok 961 # SMARTS matched the SMILES molecule 277: ok 962 # SMARTS matched the SMILES molecule 277: ok 963 # SMARTS matched the SMILES molecule 277: ok 964 # SMARTS matched the SMILES molecule 277: ok 965 # SMARTS matched the SMILES molecule 277: ok 966 # SMARTS matched the SMILES molecule 277: ok 967 # SMARTS matched the SMILES molecule 277: ok 968 # SMARTS matched the SMILES molecule 277: ok 969 # SMARTS matched the SMILES molecule 277: ok 970 # SMARTS matched the SMILES molecule 277: ok 971 # SMARTS matched the SMILES molecule 277: ok 972 # SMARTS matched the SMILES molecule 277: ok 973 # SMARTS matched the SMILES molecule 277: ok 974 # SMARTS matched the SMILES molecule 277: ok 975 # SMARTS matched the SMILES molecule 277: ok 976 # SMARTS matched the SMILES molecule 277: ok 977 # SMARTS matched the SMILES molecule 277: ok 978 # SMARTS matched the SMILES molecule 277: ok 979 # SMARTS matched the SMILES molecule 277: ok 980 # SMARTS matched the SMILES molecule 277: ok 981 # SMARTS matched the SMILES molecule 277: ok 982 # SMARTS matched the SMILES molecule 277: ok 983 # SMARTS matched the SMILES molecule 277: ok 984 # SMARTS matched the SMILES molecule 277: ok 985 # SMARTS matched the SMILES molecule 277: ok 986 # SMARTS matched the SMILES molecule 277: ok 987 # SMARTS matched the SMILES molecule 277: ok 988 # SMARTS matched the SMILES molecule 277: ok 989 # SMARTS matched the SMILES molecule 277: ok 990 # SMARTS matched the SMILES molecule 277: ok 991 # SMARTS matched the SMILES molecule 277: ok 992 # SMARTS matched the SMILES molecule 277: ok 993 # SMARTS matched the SMILES molecule 277: ok 994 # SMARTS matched the SMILES molecule 277: 1..994 272/333 Test #277: origtest_smilesmatch_1 .............................................................................. Passed 1.45 sec test 278 Start 278: origtest_unitcell_1 278: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "unitcell" "1" 278: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 278: Environment variables: 278: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 278: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 278: Test timeout computed to be: 1500 278: # Testing unit cell transformations ... 278: 1..12 278: ok 1 # a distance 278: ok 2 # b distance 278: ok 3 # c distance 278: ok 4 # alpha angle 278: ok 5 # beta angle 278: ok 6 # gamma angle 278: ok 7 # a distance 278: ok 8 # b distance 278: ok 9 # c distance 278: ok 10 # a angle 278: ok 11 # beta angle 278: ok 12 # gamma angle 278: # Testing unit cell coordinate functions ... 278: 13..24 278: ok 13 # wrapped cartesian x 278: ok 14 # wrapped cartesian y 278: ok 15 # wrapped cartesian z 278: ok 16 # wrapped fractional x 278: ok 17 # wrapped fractional y 278: ok 18 # wrapped fractional z 278: ok 19 # cart2frac x 278: ok 20 # cart2frac y 278: ok 21 # cart2frac z 278: ok 22 # frac2cart x 278: ok 23 # frac2cart y 278: ok 24 # frac2cart z 278: # cell volume 45.64 278: # lattice type 2 278: # cell volume 45.64 278: # lattice type 2 273/333 Test #278: origtest_unitcell_1 ................................................................................. Passed 0.02 sec test 279 Start 279: origtest_cmlreadfile_1 279: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_runner "cmlreadfile" "1" 279: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 279: Environment variables: 279: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 279: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 279: Test timeout computed to be: 1500 279: # Unit tests for OBMol 279: ok 1 279: ok 2! 279: ok 3! 279: ok 4! 279: ok 5! 279: 1..5 274/333 Test #279: origtest_cmlreadfile_1 .............................................................................. Passed 0.13 sec test 280 Start 280: inchiSamples.sdf_Test 280: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_inchiwrite "/build/reproducible-path/openbabel-3.2.0+dfsg/test/inchi/Samples.sdf" "/build/reproducible-path/openbabel-3.2.0+dfsg/test/inchi/Samples.sdf.txt" 280: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 280: Environment variables: 280: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 280: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 280: Test timeout computed to be: 1500 280: ============================== 280: *** Open Babel Warning in InChI code 280: 2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4); 280: ============================== 280: *** Open Babel Warning in InChI code 280: cancel_charges :Charges neutralized 280: ============================== 280: *** Open Babel Warning in InChI code 280: cuneane :Ambiguous stereo: center(s) 280: ============================== 280: *** Open Babel Warning in InChI code 280: trad :Accepted unusual valence(s): O-1,d(2); H,t(1) 280: 1..41 280: # molecules converted 280: ok 1 # InChI matched expected 280: ok 2 # InChI matched expected 280: ok 3 # InChI matched expected 280: ok 4 # InChI matched expected 280: ok 5 # InChI matched expected 280: ok 6 # InChI matched expected 280: ok 7 # InChI matched expected 280: ok 8 # InChI matched expected 280: ok 9 # InChI matched expected 280: ok 10 # ignored empty InChI 280: ok 11 # ignored empty InChI 280: ok 12 # ignored empty InChI 280: ok 13 # InChI matched expected 280: ok 14 # InChI matched expected 280: ok 15 # InChI matched expected 280: ok 16 # InChI matched expected 280: ok 17 # InChI matched expected 280: ok 18 # InChI matched expected 280: ok 19 # InChI matched expected 280: ok 20 # InChI matched expected 280: ok 21 # InChI matched expected 280: ok 22 # InChI matched expected 280: ok 23 # InChI matched expected 280: ok 24 # InChI matched expected 280: ok 25 # InChI matched expected 280: ok 26 # InChI matched expected 280: ok 27 # ignored empty InChI 280: ok 28 # ignored empty InChI 280: ok 29 # InChI matched expected 280: ok 30 # InChI matched expected 280: ok 31 # InChI matched expected 280: ok 32 # InChI matched expected 280: ok 33 # InChI matched expected 280: ok 34 # InChI matched expected 280: ok 35 # InChI matched expected 280: ok 36 # InChI matched expected 280: ok 37 # InChI matched expected 280: ok 38 # InChI matched expected 280: ok 39 # InChI matched expected 280: ok 40 # InChI matched expected 280: ok 41 # InChI matched expected 280: 36 molecules compared 280: # 5 # empty molecules skipped 280: 0 failures 275/333 Test #280: inchiSamples.sdf_Test ............................................................................... Passed 0.49 sec test 281 Start 281: inchiSamplesTechMan.sdf_Test 281: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_inchiwrite "/build/reproducible-path/openbabel-3.2.0+dfsg/test/inchi/SamplesTechMan.sdf" "/build/reproducible-path/openbabel-3.2.0+dfsg/test/inchi/SamplesTechMan.sdf.txt" 281: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 281: Environment variables: 281: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 281: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 281: Test timeout computed to be: 1500 281: ============================== 281: *** Open Babel Warning in InChI code 281: Table04 :Salt was disconnected; 281: ============================== 281: *** Open Babel Warning in InChI code 281: Table09 :Ambiguous stereo: center(s); 281: ============================== 281: *** Open Babel Warning in InChI code 281: Table10 :Ambiguous stereo: center(s) 281: 1..44 281: # molecules converted 281: ok 1 # InChI matched expected 281: ok 2 # InChI matched expected 281: ok 3 # InChI matched expected 281: ok 4 # InChI matched expected 281: ok 5 # InChI matched expected 281: ok 6 # InChI matched expected 281: ok 7 # InChI matched expected 281: ok 8 # InChI matched expected 281: ok 9 # InChI matched expected 281: ok 10 # InChI matched expected 281: ok 11 # InChI matched expected 281: ok 12 # InChI matched expected 281: ok 13 # InChI matched expected 281: ok 14 # InChI matched expected 281: ok 15 # InChI matched expected 281: ok 16 # InChI matched expected 281: ok 17 # InChI matched expected 281: ok 18 # InChI matched expected 281: ok 19 # InChI matched expected 281: ok 20 # InChI matched expected 281: ok 21 # InChI matched expected 281: ok 22 # InChI matched expected 281: ok 23 # InChI matched expected 281: ok 24 # InChI matched expected 281: ok 25 # InChI matched expected 281: ok 26 # ignored empty InChI 281: ok 27 # InChI matched expected 281: ok 28 # InChI matched expected 281: ok 29 # ignored empty InChI 281: ok 30 # InChI matched expected 281: ok 31 # ignored empty InChI 281: ok 32 # InChI matched expected 281: ok 33 # InChI matched expected 281: ok 34 # ignored empty InChI 281: ok 35 # InChI matched expected 281: ok 36 # InChI matched expected 281: ok 37 # InChI matched expected 281: ok 38 # InChI matched expected 281: ok 39 # ignored empty InChI 281: ok 40 # InChI matched expected 281: ok 41 # InChI matched expected 281: ok 42 # ignored empty InChI 281: ok 43 # ignored empty InChI 281: ok 44 # ignored empty InChI 281: 36 molecules compared 281: # 8 # empty molecules skipped 281: 0 failures 276/333 Test #281: inchiSamplesTechMan.sdf_Test ........................................................................ Passed 0.32 sec test 282 Start 282: inchiSteffen_PubChem.smi_Test 282: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/test_inchiwrite "/build/reproducible-path/openbabel-3.2.0+dfsg/test/inchi/Steffen_PubChem.smi" "/build/reproducible-path/openbabel-3.2.0+dfsg/test/inchi/Steffen_PubChem.smi.txt" 282: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 282: Environment variables: 282: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 282: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 282: Test timeout computed to be: 1500 282: ============================== 282: *** Open Babel Warning in InChI code 282: #6 :Accepted unusual valence(s): C(3); 282: ============================== 282: *** Open Babel Warning in InChI code 282: #8 :Salt was disconnected; 282: ============================== 282: *** Open Babel Warning in InChI code 282: #30 :Salt was disconnected; 282: 1..34 282: # molecules converted 282: ok 1 # InChI matched expected 282: ok 2 # InChI matched expected 282: ok 3 # InChI matched expected 282: ok 4 # InChI matched expected 282: ok 5 # InChI matched expected 282: ok 6 # InChI matched expected 282: ok 7 # InChI matched expected 282: ok 8 # InChI matched expected 282: ok 9 # InChI matched expected 282: ok 10 # InChI matched expected 282: ok 11 # InChI matched expected 282: ok 12 # InChI matched expected 282: ok 13 # InChI matched expected 282: ok 14 # InChI matched expected 282: ok 15 # InChI matched expected 282: ok 16 # InChI matched expected 282: ok 17 # InChI matched expected 282: ok 18 # InChI matched expected 282: ok 19 # InChI matched expected 282: ok 20 # InChI matched expected 282: ok 21 # InChI matched expected 282: ok 22 # InChI matched expected 282: ok 23 # InChI matched expected 282: ok 24 # InChI matched expected 282: ok 25 # InChI matched expected 282: ok 26 # InChI matched expected 282: ok 27 # InChI matched expected 282: ok 28 # InChI matched expected 282: ok 29 # InChI matched expected 282: ok 30 # InChI matched expected 282: ok 31 # InChI matched expected 282: ok 32 # InChI matched expected 282: ok 33 # InChI matched expected 282: ok 34 # InChI matched expected 282: 34 molecules compared 282: # 0 # empty molecules skipped 282: 0 failures 277/333 Test #282: inchiSteffen_PubChem.smi_Test ....................................................................... Passed 0.23 sec test 283 Start 283: pytest_babel 283: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testbabel.py" 283: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 283: Environment variables: 283: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 283: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 283: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 283: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 283: Test timeout computed to be: 1500 252: bond ( -6.964, 10.847, -2.041) ( -6.957, 10.853, -2.041) ( 0.09, 0.05, 0.02) 252: angle ( 3.466, -18.735, 1.444) ( 3.468, -18.732, 1.444) ( 0.06, 0.01, 0.03) 252: strbnd ( 5.241, 10.045, -1.635) ( 5.240, 10.043, -1.635) ( 0.02, 0.01, 0.00) 252: torsion ( -0.277, -0.199, 0.243) ( -0.277, -0.199, 0.244) ( 0.00, 0.00, 0.02) 252: oop ( -0.002, 0.243, 0.879) ( -0.003, 0.205, 0.753) ( 0.00, 0.94, 11.08) 252: vdw ( -1.680, -2.461, 0.754) ( -1.680, -2.461, 0.754) ( 0.00, 0.00, 0.00) 252: electro ( 0.066, 0.037, 0.059) ( 0.066, 0.037, 0.059) ( 0.00, 0.00, 0.00) 252: 13 ( -0.934, 4.770, 0.246) ( -0.930, 4.786, 0.303) ( 0.38, 0.34, 1.41) 252: bond ( -0.615, 7.046, -1.142) ( -0.607, 7.052, -1.141) ( 0.46, 0.08, 0.02) 252: angle ( 9.671, -9.830, 1.897) ( 9.673, -9.828, 1.897) ( 0.02, 0.02, 0.00) 252: strbnd ( 1.450, -2.787, 0.428) ( 1.450, -2.788, 0.428) ( 0.05, 0.05, 0.00) 252: torsion ( -0.027, 0.521, -1.869) ( -0.027, 0.521, -1.868) ( 0.00, 0.00, 0.05) 252: oop ( 0.024, -0.050, -0.214) ( 0.019, -0.041, -0.158) ( 0.01, 0.05, 1.20) 252: vdw (-11.109, 9.890, 1.556) (-11.109, 9.890, 1.556) ( 0.00, 0.00, 0.00) 252: electro ( -0.327, -0.020, -0.411) ( -0.327, -0.020, -0.411) ( 0.00, 0.00, 0.00) 252: 14 ( 6.423, -5.117, 0.699) ( 6.432, -5.100, 0.728) ( 0.14, 0.33, 2.05) 252: bond (-12.462, -21.961, 0.624) (-12.457, -21.955, 0.624) ( 0.04, 0.02, 0.01) 252: angle ( 21.478, 16.756, -1.059) ( 21.481, 16.758, -1.059) ( 0.01, 0.01, 0.00) 252: strbnd ( -5.263, -1.582, -0.270) ( -5.263, -1.582, -0.270) ( 0.01, 0.03, 0.00) 252: torsion ( -0.035, -0.626, 1.222) ( -0.035, -0.626, 1.223) ( 0.00, 0.00, 0.11) 252: oop ( 0.004, -0.049, -0.081) ( 0.005, -0.039, -0.053) ( 0.00, 0.05, 0.23) 252: vdw ( 2.604, 2.443, 0.387) ( 2.604, 2.443, 0.387) ( 0.00, 0.00, 0.00) 252: electro ( 0.097, -0.098, -0.124) ( 0.097, -0.098, -0.124) ( 0.00, 0.00, 0.00) 252: 15 ( -5.131, 0.618, -0.838) ( -5.081, 0.621, -0.540) ( 0.97, 0.16, 24.88) 252: bond ( 11.061, 5.919, -3.067) ( 11.066, 5.923, -3.067) ( 0.04, 0.08, 0.01) 252: angle (-12.299, -15.141, -0.481) (-12.297, -15.140, -0.481) ( 0.02, 0.01, 0.00) 252: strbnd ( -3.290, 0.620, 0.718) ( -3.290, 0.620, 0.718) ( 0.00, 0.01, 0.00) 252: torsion ( -0.712, -0.073, 3.004) ( -0.712, -0.073, 3.005) ( 0.00, 0.00, 0.05) 252: oop ( -0.261, 0.034, -1.913) ( -0.218, 0.030, -1.617) ( 1.11, 0.01, 15.44) 252: vdw ( 0.370, 9.262, 0.830) ( 0.370, 9.262, 0.830) ( 0.00, 0.00, 0.00) 252: electro ( 0.001, -0.002, 0.071) ( 0.001, -0.002, 0.071) ( 0.00, 0.00, 0.00) 252: 16 ( -0.060, 0.192, 1.754) ( -0.067, 0.202, 1.620) ( 0.04, 0.20, 7.61) 252: bond ( 14.452, -16.403, -3.890) ( 14.458, -16.398, -3.890) ( 0.04, 0.03, 0.01) 252: angle (-10.953, 5.321, 1.176) (-10.951, 5.322, 1.176) ( 0.02, 0.03, 0.00) 252: strbnd ( 6.693, 8.480, -0.639) ( 6.693, 8.479, -0.639) ( 0.00, 0.00, 0.00) 252: torsion ( 0.233, -0.130, 1.677) ( 0.233, -0.130, 1.679) ( 0.00, 0.00, 0.08) 252: oop ( 0.089, -0.027, 0.816) ( 0.074, -0.024, 0.681) ( 0.13, 0.01, 11.01) 252: vdw (-10.495, 2.954, 2.887) (-10.495, 2.954, 2.887) ( 0.00, 0.01, 0.00) 252: electro ( -0.079, -0.002, -0.273) ( -0.079, -0.002, -0.273) ( 0.00, 0.00, 0.00) 252: 17 ( -0.394, 0.572, 1.427) ( -0.386, 0.578, 1.432) ( 0.31, 0.35, 0.35) 252: bond ( 11.943, 13.623, 0.244) ( 11.949, 13.628, 0.244) ( 0.05, 0.04, 0.01) 252: angle ( 1.276, -3.469, -0.726) ( 1.277, -3.467, -0.726) ( 0.13, 0.05, 0.00) 252: strbnd ( 0.726, -3.329, -0.300) ( 0.726, -3.330, -0.300) ( 0.01, 0.01, 0.00) 252: torsion ( 0.227, -0.156, 1.421) ( 0.227, -0.156, 1.422) ( 0.00, 0.00, 0.09) 252: oop ( -0.004, 0.002, -0.021) ( -0.003, 0.002, -0.018) ( 0.00, 0.00, 0.01) 250: angle ( 10.251, 5.425, -14.704) ( 10.253, 5.427, -14.702) ( 0.02, 0.04, 0.01) 250: strbnd ( 4.541, -0.227, 0.888) ( 4.540, -0.227, 0.888) ( 0.02, 0.01, 0.06) 250: torsion ( -1.610, 3.720, 3.452) ( -1.610, 3.720, 3.452) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.819, 5.346, -4.109) ( -3.819, 5.346, -4.109) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( 0.357, 0.362, 0.364) ( 0.362, 0.367, 0.370) ( 0.18, 0.17, 0.22) 250: bond ( 21.264, -13.824, -2.826) ( 21.268, -13.820, -2.821) ( 0.02, 0.03, 0.16) 250: angle (-16.268, 12.918, 11.920) (-16.266, 12.920, 11.922) ( 0.01, 0.02, 0.01) 250: strbnd ( -2.042, -2.702, 2.306) ( -2.043, -2.703, 2.305) ( 0.04, 0.04, 0.01) 250: torsion ( 0.242, -0.309, -3.665) ( 0.242, -0.309, -3.665) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.840, 4.280, -7.371) ( -2.839, 4.280, -7.371) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( 0.298, 0.643, 0.076) ( 0.302, 0.648, 0.081) ( 0.13, 0.32, 0.04) 250: bond (-17.007, -1.605, 19.177) (-17.004, -1.602, 19.181) ( 0.02, 0.21, 0.02) 250: angle ( 20.289, -11.578, -20.050) ( 20.291, -11.576, -20.048) ( 0.01, 0.02, 0.01) 250: strbnd ( 0.219, 4.268, -0.478) ( 0.218, 4.267, -0.478) ( 0.02, 0.02, 0.02) 250: torsion ( -1.834, 2.984, 4.550) ( -1.834, 2.984, 4.550) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.369, 6.574, -3.124) ( -1.369, 6.574, -3.124) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 ( 1.237, -0.464, 0.129) ( 1.240, -0.447, 0.209) ( 0.28, 0.80, 1.04) 250: bond ( 15.847, -1.098, -7.962) ( 15.850, -1.095, -7.959) ( 0.02, 0.29, 0.04) 250: angle (-11.285, -1.723, 11.202) (-11.283, -1.722, 11.203) ( 0.02, 0.12, 0.02) 250: strbnd ( -2.536, 2.403, 1.664) ( -2.537, 2.402, 1.663) ( 0.03, 0.03, 0.04) 250: torsion ( 1.195, -2.901, -3.945) ( 1.195, -2.901, -3.945) ( 0.00, 0.00, 0.01) 250: oop ( 0.005, -0.076, -0.452) ( 0.004, -0.063, -0.376) ( 0.00, 0.10, 3.40) 250: vdw ( -1.368, 2.242, -0.525) ( -1.367, 2.242, -0.525) ( 0.01, 0.00, 0.00) 250: electro ( -0.621, 0.690, 0.148) ( -0.621, 0.690, 0.148) ( 0.00, 0.00, 0.00) 250: 27 ( 0.236, 0.612, 0.037) ( 0.242, 0.618, 0.042) ( 0.14, 0.35, 0.02) 250: bond ( 5.055, -10.233, -17.302) ( 5.059, -10.229, -17.298) ( 0.09, 0.04, 0.02) 250: angle ( -3.183, 7.842, 10.800) ( -3.181, 7.843, 10.802) ( 0.06, 0.02, 0.02) 250: strbnd ( 1.203, 0.907, -0.607) ( 1.203, 0.907, -0.608) ( 0.04, 0.05, 0.06) 250: torsion ( -0.959, -0.405, -0.114) ( -0.959, -0.405, -0.114) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.881, 2.501, 7.260) ( -1.880, 2.501, 7.260) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 28 ( 0.896, -0.479, -0.925) ( 0.900, -0.477, -0.920) ( 0.38, 0.08, 0.45) 250: bond ( 7.820, 3.623, -3.208) ( 7.824, 3.624, -3.204) ( 0.05, 0.03, 0.12) 250: angle ( -2.167, 1.247, 4.426) ( -2.166, 1.247, 4.428) ( 0.01, 0.03, 0.03) 250: strbnd ( 0.310, 0.219, 0.140) ( 0.310, 0.219, 0.140) ( 0.00, 0.00, 0.01) 250: torsion ( 0.871, -2.454, -0.635) ( 0.871, -2.454, -0.635) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.614, -2.920, -1.379) ( -3.614, -2.920, -1.379) ( 0.00, 0.00, 0.00) 248: 1 ( -0.188, -0.096, -0.051) ( -0.199, -0.052, -0.005) ( 0.20, 0.42, 0.24) 248: bond ( 6.718, 6.276, -0.511) ( 6.723, 6.283, -0.510) ( 0.07, 0.11, 0.05) 248: angle ( 7.350, 2.161, 1.524) ( 7.352, 2.163, 1.524) ( 0.02, 0.08, 0.00) 248: strbnd ( -5.562, -3.003, -0.620) ( -5.562, -3.004, -0.620) ( 0.00, 0.02, 0.00) 248: torsion ( 0.209, -0.213, -0.135) ( 0.209, -0.213, -0.134) ( 0.00, 0.00, 0.01) 248: oop ( 0.102, -0.210, -0.295) ( 0.085, -0.175, -0.250) ( 0.17, 0.74, 1.31) 248: vdw ( -9.274, -5.085, -0.061) ( -9.274, -5.085, -0.061) ( 0.00, 0.00, 0.00) 248: electro ( 0.268, -0.021, 0.047) ( 0.268, -0.021, 0.047) ( 0.00, 0.00, 0.00) 248: 2 ( -0.091, -0.060, -0.056) ( -0.090, -0.044, -0.030) ( 0.01, 0.09, 0.14) 248: bond ( 5.859, -4.939, 3.180) ( 5.864, -4.931, 3.182) ( 0.09, 0.16, 0.04) 248: angle ( -5.582, 0.865, -2.937) ( -5.580, 0.867, -2.937) ( 0.03, 0.13, 0.01) 248: strbnd ( 3.439, -2.665, 1.582) ( 3.438, -2.666, 1.582) ( 0.02, 0.03, 0.00) 248: torsion ( -0.645, 0.747, 3.059) ( -0.645, 0.747, 3.060) ( 0.01, 0.01, 0.04) 248: oop ( 0.034, -0.042, -0.149) ( 0.029, -0.036, -0.126) ( 0.02, 0.03, 0.35) 248: vdw ( -3.802, 4.778, -4.508) ( -3.801, 4.778, -4.508) ( 0.01, 0.00, 0.00) 248: electro ( 0.606, 1.196, -0.282) ( 0.606, 1.196, -0.282) ( 0.00, 0.00, 0.00) 248: 3 ( 0.200, -0.018, -0.182) ( 0.192, -0.006, -0.027) ( 0.16, 0.02, 2.83) 248: bond ( 8.537, 8.504, 0.695) ( 8.543, 8.515, 0.695) ( 0.06, 0.14, 0.00) 248: angle (-28.587, -3.313, -5.216) (-28.584, -3.311, -5.216) ( 0.01, 0.05, 0.00) 248: strbnd ( 13.895, 1.569, 1.674) ( 13.894, 1.567, 1.674) ( 0.01, 0.12, 0.00) 248: torsion ( -0.070, 0.291, -0.883) ( -0.070, 0.291, -0.883) ( 0.00, 0.00, 0.04) 248: oop ( 0.085, -0.003, -0.855) ( 0.070, -0.003, -0.700) ( 0.13, 0.00, 13.23) 248: vdw ( -3.152, -1.167, -0.567) ( -3.152, -1.167, -0.567) ( 0.00, 0.00, 0.00) 248: electro ( 9.492, -5.898, 4.971) ( 9.492, -5.898, 4.971) ( 0.00, 0.00, 0.00) 248: 4 ( 0.068, 0.192, 0.159) ( 0.107, 0.130, -0.008) ( 0.27, 1.19, 2.64) 248: bond ( 5.784, 6.960, -1.839) ( 5.788, 6.969, -1.837) ( 0.07, 0.13, 0.11) 248: angle ( 0.982, -10.064, 4.762) ( 0.983, -10.062, 4.762) ( 0.17, 0.02, 0.00) 248: strbnd ( 2.113, 6.313, -2.390) ( 2.113, 6.312, -2.391) ( 0.01, 0.02, 0.01) 248: torsion ( 0.211, -0.053, -0.431) ( 0.211, -0.052, -0.430) ( 0.00, 0.00, 0.02) 248: oop ( -0.201, 0.426, 1.012) ( -0.167, 0.355, 0.843) ( 0.68, 3.05, 16.69) 248: vdw ( -0.575, -5.329, 2.147) ( -0.575, -5.329, 2.147) ( 0.00, 0.00, 0.00) 248: electro ( -8.246, 1.938, -3.102) ( -8.246, 1.938, -3.102) ( 0.00, 0.00, 0.00) 248: 5 ( -0.011, -0.146, -0.052) ( -0.021, -0.112, 0.008) ( 0.01, 0.49, 0.32) 248: bond ( 0.169, 6.053, -2.652) ( 0.169, 6.060, -2.651) ( 0.00, 0.13, 0.06) 248: angle ( -0.570, -0.029, -0.102) ( -0.569, -0.029, -0.102) ( 0.04, 0.00, 0.00) 248: strbnd ( -0.449, -0.737, 0.244) ( -0.449, -0.737, 0.244) ( 0.00, 0.00, 0.00) 248: torsion ( 0.351, -0.798, -1.802) ( 0.351, -0.798, -1.802) ( 0.00, 0.00, 0.00) 248: oop ( 0.063, -0.144, -0.325) ( 0.052, -0.118, -0.265) ( 0.07, 0.38, 1.92) 248: vdw ( -5.042, -4.784, 2.331) ( -5.041, -4.784, 2.331) ( 0.00, 0.00, 0.00) 248: electro ( 5.466, 0.293, 2.253) ( 5.466, 0.293, 2.253) ( 0.00, 0.00, 0.00) 248: 6 ( 0.048, -0.085, -0.062) ( 0.044, -0.054, 0.004) ( 0.02, 0.27, 0.41) 248: bond ( -0.057, 4.697, -1.723) ( -0.052, 4.701, -1.723) ( 0.03, 0.10, 0.04) 248: angle ( 6.722, 9.815, -3.104) ( 6.724, 9.816, -3.104) ( 0.03, 0.02, 0.00) 248: strbnd ( -8.096, -2.087, -0.459) ( -8.096, -2.087, -0.459) ( 0.00, 0.00, 0.00) 283: ................. 283: ---------------------------------------------------------------------- 283: Ran 17 tests in 14.797s 283: 283: OK 278/333 Test #283: pytest_babel ........................................................................................ Passed 15.14 sec test 284 Start 284: pytest_gauss 284: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testgauss.py" 284: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 284: Environment variables: 284: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 284: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 284: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 284: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 284: Test timeout computed to be: 1500 252: vdw (-14.498, -6.002, 0.935) (-14.498, -6.002, 0.935) ( 0.00, 0.00, 0.00) 252: electro ( -0.064, -0.097, -0.125) ( -0.064, -0.097, -0.125) ( 0.00, 0.00, 0.00) 252: 18 ( -0.671, -0.480, 0.669) ( -0.666, -0.470, 0.643) ( 0.29, 0.48, 1.73) 252: bond ( -3.720, 10.016, 1.464) ( -3.714, 10.021, 1.464) ( 0.15, 0.06, 0.01) 252: angle ( 3.372, 1.996, -0.096) ( 3.374, 1.998, -0.096) ( 0.05, 0.09, 0.00) 252: strbnd ( 1.201, -0.848, -0.145) ( 1.201, -0.848, -0.145) ( 0.02, 0.01, 0.00) 252: torsion ( 0.005, -0.001, 0.213) ( 0.005, -0.001, 0.214) ( 0.00, 0.00, 0.03) 252: oop ( 0.015, -0.016, 0.164) ( 0.013, -0.013, 0.137) ( 0.00, 0.00, 0.45) 252: vdw ( -1.486, -11.784, -0.891) ( -1.486, -11.784, -0.891) ( 0.00, 0.00, 0.00) 252: electro ( -0.059, 0.157, -0.040) ( -0.059, 0.157, -0.040) ( 0.00, 0.00, 0.00) 252: 19 ( -0.361, 0.252, -0.085) ( -0.352, 0.256, -0.053) ( 0.36, 0.11, 0.27) 252: bond ( -3.439, 12.608, 1.190) ( -3.434, 12.614, 1.190) ( 0.17, 0.04, 0.02) 252: angle ( -7.033, 2.531, 1.010) ( -7.031, 2.533, 1.010) ( 0.02, 0.06, 0.01) 252: strbnd ( -0.939, -6.205, -0.494) ( -0.939, -6.206, -0.494) ( 0.02, 0.00, 0.00) 252: torsion ( 0.083, -0.036, 0.405) ( 0.083, -0.036, 0.406) ( 0.00, 0.00, 0.05) 252: oop ( -0.015, 0.016, -0.180) ( -0.012, 0.013, -0.149) ( 0.00, 0.00, 0.55) 252: vdw ( 11.128, -8.501, -1.965) ( 11.128, -8.501, -1.965) ( 0.00, 0.00, 0.00) 252: electro ( -0.147, -0.161, -0.052) ( -0.147, -0.161, -0.052) ( 0.00, 0.00, 0.00) 252: 20 ( 0.033, 0.210, -0.198) ( 0.028, 0.218, -0.269) ( 0.01, 0.15, 1.41) 252: bond (-23.028, 1.536, 2.475) (-23.023, 1.541, 2.475) ( 0.02, 0.33, 0.01) 252: angle ( 15.846, -1.882, -2.254) ( 15.848, -1.881, -2.254) ( 0.01, 0.09, 0.00) 252: strbnd ( -4.096, 7.781, 0.817) ( -4.097, 7.781, 0.817) ( 0.00, 0.00, 0.00) 252: torsion ( 0.129, 0.136, 0.405) ( 0.129, 0.136, 0.407) ( 0.00, 0.00, 0.05) 252: oop ( 0.078, -0.007, 0.518) ( 0.066, -0.007, 0.445) ( 0.09, 0.00, 3.76) 252: vdw ( 11.264, -7.207, -2.094) ( 11.264, -7.207, -2.094) ( 0.00, 0.00, 0.00) 252: electro ( -0.159, -0.145, -0.065) ( -0.159, -0.145, -0.065) ( 0.00, 0.00, 0.00) 252: 21 ( 0.580, -0.053, -0.235) ( 0.591, -0.122, -0.471) ( 0.61, 0.37, 5.54) 252: bond ( 7.503, -21.569, 13.282) ( 7.507, -21.565, 13.286) ( 0.05, 0.02, 0.03) 252: angle ( -8.074, 14.944, -23.421) ( -8.072, 14.947, -23.419) ( 0.03, 0.01, 0.01) 252: strbnd ( 2.250, 2.780, 1.796) ( 2.249, 2.779, 1.795) ( 0.04, 0.04, 0.03) 252: torsion ( -0.293, 1.133, 8.011) ( -0.293, 1.133, 8.011) ( 0.00, 0.01, 0.00) 252: oop ( -0.019, 0.274, 0.893) ( -0.014, 0.200, 0.651) ( 0.01, 2.04, 21.55) 252: vdw ( -0.617, 2.348, -0.996) ( -0.617, 2.348, -0.996) ( 0.00, 0.00, 0.00) 252: electro ( -0.170, 0.037, 0.202) ( -0.170, 0.037, 0.202) ( 0.00, 0.00, 0.00) 252: 22 ( 0.335, -0.174, 0.517) ( 0.341, -0.168, 0.522) ( 0.18, 0.10, 0.29) 252: bond ( 10.845, -2.778, -8.094) ( 10.850, -2.774, -8.090) ( 0.04, 0.15, 0.05) 252: angle ( -9.008, -1.801, 6.507) ( -9.006, -1.799, 6.508) ( 0.02, 0.10, 0.03) 252: strbnd ( 0.507, -2.141, 2.316) ( 0.507, -2.141, 2.315) ( 0.04, 0.02, 0.03) 252: torsion ( 0.379, 2.149, -1.075) ( 0.379, 2.149, -1.075) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.389, 4.398, 0.864) ( -2.389, 4.398, 0.864) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( -0.056, -0.173, -0.298) ( -0.051, -0.167, -0.292) ( 0.03, 0.09, 0.18) 252: bond ( -9.863, -5.250, 2.250) ( -9.858, -5.246, 2.255) ( 0.04, 0.08, 0.21) 284: . 284: ---------------------------------------------------------------------- 284: Ran 1 test in 0.503s 284: 284: OK 279/333 Test #284: pytest_gauss ........................................................................................ Passed 1.21 sec test 285 Start 285: pytest_sym 285: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testsym.py" 285: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 285: Environment variables: 285: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 285: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 285: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 285: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 285: Test timeout computed to be: 1500 250: electro ( -2.324, -0.193, -0.270) ( -2.323, -0.193, -0.270) ( 0.00, 0.00, 0.00) 250: 29 ( 0.408, 0.492, 0.031) ( 0.409, 0.493, 0.034) ( 0.03, 0.06, 0.01) 250: bond ( -1.093, 2.730, 5.745) ( -1.093, 2.731, 5.748) ( 0.01, 0.02, 0.04) 250: angle ( -0.447, -1.804, 0.772) ( -0.446, -1.803, 0.772) ( 0.03, 0.03, 0.01) 250: strbnd ( -0.651, -1.825, -2.101) ( -0.651, -1.825, -2.101) ( 0.00, 0.00, 0.00) 250: torsion ( 1.322, -0.173, 0.334) ( 1.322, -0.173, 0.334) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.277, 1.563, -4.719) ( 1.277, 1.563, -4.719) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( 0.503, 0.033, 0.106) ( 0.504, 0.034, 0.109) ( 0.04, 0.00, 0.03) 250: bond ( 0.388, -0.566, -1.877) ( 0.388, -0.566, -1.874) ( 0.01, 0.02, 0.16) 250: angle ( -1.222, 1.435, -0.686) ( -1.222, 1.436, -0.686) ( 0.05, 0.04, 0.00) 250: strbnd ( -0.562, 0.515, 1.009) ( -0.562, 0.515, 1.009) ( 0.00, 0.00, 0.00) 250: torsion ( -1.037, 0.246, -0.289) ( -1.037, 0.246, -0.289) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.936, -1.598, 1.950) ( 2.936, -1.598, 1.950) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 31 ( 0.438, 0.182, 0.134) ( 0.439, 0.183, 0.137) ( 0.04, 0.02, 0.04) 250: bond ( -1.114, 1.979, 6.032) ( -1.114, 1.980, 6.035) ( 0.01, 0.02, 0.05) 250: angle ( -0.690, 1.900, -0.751) ( -0.689, 1.901, -0.751) ( 0.04, 0.03, 0.01) 250: strbnd ( 0.022, -0.078, -2.039) ( 0.022, -0.078, -2.039) ( 0.00, 0.00, 0.00) 250: torsion ( 0.783, 1.067, -0.206) ( 0.783, 1.067, -0.206) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.437, -4.688, -2.903) ( 1.437, -4.687, -2.903) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 32 ( 1.763, 0.235, -0.010) ( 1.764, 0.236, -0.007) ( 0.05, 0.03, 0.00) 250: bond ( -0.495, 1.091, 2.241) ( -0.495, 1.092, 2.244) ( 0.01, 0.06, 0.12) 250: angle ( -0.145, 0.135, -0.098) ( -0.144, 0.135, -0.098) ( 0.01, 0.01, 0.00) 250: strbnd ( -0.003, -0.325, -0.202) ( -0.003, -0.325, -0.202) ( 0.00, 0.00, 0.00) 250: torsion ( 1.861, 0.535, 0.150) ( 1.861, 0.535, 0.150) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.545, -1.202, -2.101) ( 0.545, -1.202, -2.101) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 33 ( 0.648, 0.036, -0.155) ( 0.650, 0.037, -0.153) ( 0.11, 0.00, 0.03) 250: bond ( 2.130, -0.511, 2.443) ( 2.132, -0.511, 2.445) ( 0.07, 0.00, 0.08) 250: angle ( 2.580, -0.905, -2.439) ( 2.580, -0.904, -2.439) ( 0.01, 0.05, 0.01) 250: strbnd ( -0.613, 0.221, -1.607) ( -0.613, 0.221, -1.607) ( 0.00, 0.00, 0.00) 250: torsion ( -2.226, 0.124, 1.967) ( -2.226, 0.125, 1.967) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.223, 1.107, -0.518) ( -1.223, 1.107, -0.518) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 34 ( 0.623, -0.025, -0.099) ( 0.624, -0.024, -0.096) ( 0.07, 0.00, 0.02) 250: bond ( 1.205, -1.083, -2.206) ( 1.205, -1.082, -2.204) ( 0.05, 0.05, 0.10) 250: angle ( 4.429, -0.679, 2.755) ( 4.430, -0.679, 2.755) ( 0.01, 0.03, 0.01) 250: strbnd ( -0.025, 0.560, 1.229) ( -0.025, 0.560, 1.229) ( 0.00, 0.00, 0.00) 248: torsion ( -0.110, 0.259, 0.519) ( -0.110, 0.259, 0.520) ( 0.00, 0.00, 0.06) 248: oop ( 0.071, -0.161, -0.404) ( 0.060, -0.136, -0.340) ( 0.08, 0.40, 2.58) 248: vdw ( 1.049, -12.118, 4.931) ( 1.049, -12.118, 4.931) ( 0.03, 0.00, 0.00) 248: electro ( 0.469, -0.490, 0.178) ( 0.469, -0.490, 0.178) ( 0.00, 0.00, 0.00) 248: 7 ( 0.011, 0.004, -0.004) ( 0.016, 0.016, 0.020) ( 0.01, 0.00, 0.01) 248: bond ( 3.349, -0.633, 0.565) ( 3.354, -0.629, 0.566) ( 0.16, 0.29, 0.05) 248: angle ( -2.010, -5.848, 0.374) ( -2.008, -5.846, 0.374) ( 0.11, 0.04, 0.01) 248: strbnd ( -0.379, -1.736, 0.181) ( -0.380, -1.737, 0.181) ( 0.03, 0.03, 0.00) 248: torsion ( -0.325, 0.273, 1.507) ( -0.325, 0.273, 1.508) ( 0.00, 0.00, 0.09) 248: oop ( 0.017, -0.034, -0.134) ( 0.015, -0.028, -0.112) ( 0.00, 0.02, 0.29) 248: vdw ( -0.926, 8.721, -2.733) ( -0.925, 8.721, -2.733) ( 0.03, 0.00, 0.00) 248: electro ( 0.284, -0.738, 0.237) ( 0.284, -0.738, 0.237) ( 0.00, 0.00, 0.00) 248: 8 ( -0.038, -0.007, -0.024) ( -0.033, 0.006, -0.005) ( 0.02, 0.01, 0.05) 248: bond ( -2.335, 12.424, -4.470) ( -2.330, 12.429, -4.470) ( 0.23, 0.04, 0.02) 248: angle ( -1.627, -0.904, 0.021) ( -1.626, -0.902, 0.021) ( 0.10, 0.16, 0.00) 248: strbnd ( -5.052, -1.205, -0.263) ( -5.052, -1.206, -0.263) ( 0.00, 0.01, 0.00) 248: torsion ( -0.060, 0.134, 0.425) ( -0.060, 0.134, 0.426) ( 0.00, 0.00, 0.05) 248: oop ( 0.013, -0.035, -0.105) ( 0.011, -0.030, -0.088) ( 0.00, 0.02, 0.18) 248: vdw ( 6.553, -10.647, 4.170) ( 6.553, -10.647, 4.170) ( 0.00, 0.00, 0.00) 248: electro ( 2.471, 0.227, 0.198) ( 2.471, 0.227, 0.198) ( 0.00, 0.00, 0.00) 248: 9 ( 0.068, 0.165, 0.082) ( 0.096, 0.132, -0.033) ( 0.19, 0.54, 0.94) 248: bond ( 7.584, -6.522, 1.280) ( 7.590, -6.517, 1.281) ( 0.08, 0.07, 0.06) 248: angle ( -6.868, -3.074, 6.963) ( -6.866, -3.072, 6.964) ( 0.03, 0.07, 0.01) 248: strbnd ( -1.384, 3.697, -1.135) ( -1.385, 3.696, -1.136) ( 0.05, 0.02, 0.01) 248: torsion ( 0.914, -1.383, -5.636) ( 0.914, -1.383, -5.635) ( 0.00, 0.01, 0.01) 248: oop ( -0.133, 0.235, 0.708) ( -0.112, 0.195, 0.591) ( 0.28, 0.92, 8.29) 248: vdw ( -1.168, 4.392, -3.048) ( -1.168, 4.393, -3.048) ( 0.00, 0.00, 0.00) 248: electro ( 1.123, 2.820, 0.950) ( 1.123, 2.820, 0.950) ( 0.00, 0.00, 0.00) 248: 10 ( -0.080, -0.040, -0.026) ( -0.075, -0.026, -0.009) ( 0.04, 0.06, 0.05) 248: bond ( 2.250, -21.552, 7.812) ( 2.255, -21.547, 7.813) ( 0.22, 0.02, 0.01) 248: angle ( 0.157, 10.838, -3.791) ( 0.158, 10.840, -3.791) ( 0.02, 0.02, 0.01) 248: strbnd ( -4.774, 3.240, -1.394) ( -4.774, 3.239, -1.394) ( 0.00, 0.01, 0.00) 248: torsion ( -0.412, 1.059, 3.327) ( -0.412, 1.059, 3.328) ( 0.00, 0.02, 0.04) 248: oop ( 0.001, -0.020, -0.019) ( -0.000, -0.013, -0.004) ( 0.00, 0.01, 0.03) 248: vdw ( 1.632, 4.936, -5.898) ( 1.632, 4.937, -5.898) ( 0.01, 0.01, 0.00) 248: electro ( 1.066, 1.459, -0.063) ( 1.066, 1.459, -0.063) ( 0.00, 0.00, 0.00) 248: 11 ( 0.070, -0.162, -0.073) ( 0.027, -0.066, 0.009) ( 0.31, 1.57, 0.61) 248: bond (-16.382, -5.258, -0.908) (-16.377, -5.253, -0.907) ( 0.03, 0.09, 0.07) 248: angle (-11.115, 1.090, 2.569) (-11.112, 1.092, 2.569) ( 0.02, 0.19, 0.01) 248: strbnd ( 22.133, 1.950, 2.757) ( 22.132, 1.949, 2.757) ( 0.00, 0.03, 0.00) 248: torsion ( -0.093, 0.026, -1.627) ( -0.093, 0.026, -1.626) ( 0.00, 0.00, 0.06) 248: oop ( 0.396, -0.643, -0.208) ( 0.346, -0.553, -0.127) ( 2.00, 5.78, 1.67) 248: vdw ( 4.671, 2.284, -2.768) ( 4.672, 2.284, -2.768) ( 0.00, 0.00, 0.00) 248: electro ( 0.459, 0.390, 0.111) ( 0.459, 0.390, 0.111) ( 0.00, 0.00, 0.00) 248: 12 ( -0.002, 0.033, 0.022) ( 0.002, 0.028, -0.000) ( 0.00, 0.02, 0.05) 252: angle ( 12.507, 0.572, 0.600) ( 12.509, 0.573, 0.602) ( 0.02, 0.10, 0.10) 252: strbnd ( 0.608, -3.802, 1.723) ( 0.607, -3.803, 1.722) ( 0.05, 0.02, 0.03) 252: torsion ( -1.338, 1.223, -0.733) ( -1.338, 1.223, -0.733) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.970, 7.085, -4.139) ( -1.970, 7.085, -4.139) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( -2.968, -0.603, -1.089) ( -2.963, -0.598, -1.087) ( 0.17, 0.31, 0.24) 252: bond ( -0.866, -18.509, 3.882) ( -0.862, -18.505, 3.887) ( 0.40, 0.02, 0.12) 252: angle ( 5.959, 26.024, -8.109) ( 5.962, 26.026, -8.108) ( 0.04, 0.01, 0.02) 252: strbnd (-10.525, -2.634, 0.562) (-10.527, -2.635, 0.562) ( 0.02, 0.03, 0.02) 252: torsion ( -0.876, -1.089, 1.253) ( -0.876, -1.089, 1.253) ( 0.00, 0.00, 0.01) 252: oop ( -0.001, 0.002, 0.014) ( -0.000, 0.002, 0.010) ( 0.00, 0.00, 0.00) 252: vdw ( 2.349, -4.597, 0.926) ( 2.349, -4.597, 0.926) ( 0.01, 0.00, 0.00) 252: electro ( 0.991, 0.199, 0.382) ( 0.991, 0.199, 0.382) ( 0.00, 0.00, 0.00) 252: 25 ( -0.014, -0.101, -0.165) ( -0.009, -0.095, -0.159) ( 0.01, 0.06, 0.10) 252: bond ( -3.870, 12.275, -0.924) ( -3.866, 12.279, -0.920) ( 0.10, 0.03, 0.41) 252: angle ( -5.572, -18.333, 5.423) ( -5.570, -18.330, 5.425) ( 0.04, 0.01, 0.03) 252: strbnd ( -1.114, -2.631, -0.165) ( -1.115, -2.631, -0.166) ( 0.10, 0.02, 0.00) 252: torsion ( 3.318, -0.490, -3.647) ( 3.318, -0.490, -3.647) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.225, 9.078, -0.852) ( 7.225, 9.078, -0.852) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 ( -2.572, 0.175, -0.401) ( -2.567, 0.181, -0.395) ( 0.18, 0.10, 0.23) 252: bond ( 4.426, -15.861, -0.954) ( 4.429, -15.857, -0.949) ( 0.08, 0.03, 0.45) 252: angle ( -8.266, 12.873, -7.689) ( -8.264, 12.875, -7.687) ( 0.02, 0.02, 0.03) 252: strbnd ( 1.193, 5.294, 4.137) ( 1.192, 5.293, 4.136) ( 0.07, 0.01, 0.03) 252: torsion ( -0.164, -0.701, 3.652) ( -0.164, -0.701, 3.652) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.542, -1.377, 0.272) ( -0.542, -1.377, 0.272) ( 0.01, 0.00, 0.00) 252: electro ( 0.781, -0.052, 0.181) ( 0.781, -0.052, 0.181) ( 0.00, 0.00, 0.00) 252: 27 ( -0.131, 0.200, 0.315) ( -0.126, 0.205, 0.322) ( 0.06, 0.11, 0.19) 252: bond ( -1.243, 14.723, 1.076) ( -1.239, 14.727, 1.080) ( 0.30, 0.03, 0.41) 252: angle ( -2.830, -11.271, 1.923) ( -2.828, -11.269, 1.924) ( 0.07, 0.02, 0.10) 252: strbnd ( 1.105, -0.095, 0.631) ( 1.104, -0.095, 0.630) ( 0.10, 0.01, 0.02) 252: torsion ( 1.263, -4.544, -4.977) ( 1.263, -4.544, -4.977) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.574, 1.387, 1.663) ( 1.574, 1.387, 1.663) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 28 ( -7.675, -0.990, 1.850) ( -7.670, -0.984, 1.855) ( 0.07, 0.60, 0.26) 252: bond ( -2.953, -11.140, 2.764) ( -2.949, -11.136, 2.768) ( 0.12, 0.04, 0.15) 252: angle ( -6.707, 11.635, 3.591) ( -6.705, 11.637, 3.594) ( 0.03, 0.02, 0.06) 252: strbnd ( 1.933, -1.383, -4.721) ( 1.932, -1.383, -4.722) ( 0.05, 0.02, 0.03) 252: torsion ( -0.767, 1.045, 0.680) ( -0.767, 1.045, 0.680) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.685, -1.579, 0.134) ( -1.684, -1.579, 0.134) ( 0.01, 0.00, 0.00) 250: torsion ( -1.189, -0.747, -0.284) ( -1.189, -0.747, -0.284) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.797, 1.923, -1.593) ( -3.797, 1.923, -1.593) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 35 ( 0.727, 0.236, 0.113) ( 0.728, 0.237, 0.115) ( 0.07, 0.02, 0.03) 250: bond ( -1.135, 1.111, 3.160) ( -1.134, 1.111, 3.163) ( 0.03, 0.03, 0.08) 250: angle ( 2.191, 0.137, 0.737) ( 2.191, 0.138, 0.737) ( 0.03, 0.01, 0.01) 250: strbnd ( 1.028, -1.182, -0.643) ( 1.028, -1.182, -0.643) ( 0.00, 0.00, 0.00) 250: torsion ( 0.059, -1.190, 0.439) ( 0.059, -1.190, 0.439) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.416, 1.359, -3.581) ( -1.416, 1.359, -3.581) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 36 ( 0.488, 0.270, -0.116) ( 0.489, 0.274, -0.116) ( 0.04, 0.09, 0.01) 250: bond ( 0.456, -2.299, 0.220) ( 0.456, -2.296, 0.220) ( 0.01, 0.14, 0.00) 250: angle ( 2.467, 0.624, 1.393) ( 2.468, 0.624, 1.393) ( 0.02, 0.00, 0.04) 250: strbnd ( 0.024, 1.326, 0.945) ( 0.024, 1.326, 0.945) ( 0.00, 0.00, 0.00) 250: torsion ( 0.177, -0.003, -0.400) ( 0.177, -0.003, -0.399) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.636, 0.622, -2.274) ( -2.636, 0.622, -2.274) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 37 ( 0.151, 1.287, 0.431) ( 0.152, 1.288, 0.434) ( 0.02, 0.05, 0.13) 250: bond ( 1.073, -0.388, -2.975) ( 1.074, -0.388, -2.972) ( 0.04, 0.00, 0.10) 250: angle ( -0.794, 2.840, -0.658) ( -0.793, 2.841, -0.658) ( 0.04, 0.02, 0.00) 250: strbnd ( -0.284, 0.981, 1.653) ( -0.284, 0.981, 1.653) ( 0.00, 0.00, 0.00) 250: torsion ( -1.057, -0.640, -0.298) ( -1.057, -0.640, -0.298) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.212, -1.506, 2.709) ( 1.212, -1.506, 2.709) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 38 ( 0.339, 0.476, 1.257) ( 0.340, 0.479, 1.258) ( 0.03, 0.15, 0.04) 250: bond ( -0.805, 4.071, 0.318) ( -0.805, 4.074, 0.318) ( 0.01, 0.08, 0.00) 250: angle ( 5.353, 1.181, -1.582) ( 5.354, 1.181, -1.581) ( 0.01, 0.00, 0.03) 250: strbnd ( 0.930, -1.391, -0.658) ( 0.930, -1.391, -0.658) ( 0.00, 0.00, 0.00) 250: torsion ( -1.899, -0.571, 2.506) ( -1.899, -0.571, 2.506) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.240, -2.814, 0.673) ( -3.240, -2.814, 0.673) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 39 ( 0.197, 1.934, -0.224) ( 0.197, 1.941, -0.201) ( 0.01, 0.38, 0.52) 250: bond ( -0.322, 6.022, -1.065) ( -0.322, 6.026, -1.065) ( 0.00, 0.06, 0.01) 250: angle ( -3.546, -0.243, -0.303) ( -3.546, -0.243, -0.303) ( 0.02, 0.00, 0.00) 250: strbnd ( 0.529, -2.091, 0.417) ( 0.529, -2.091, 0.417) ( 0.00, 0.00, 0.00) 250: torsion ( 0.017, 0.060, 0.336) ( 0.017, 0.060, 0.337) ( 0.00, 0.00, 0.01) 250: oop ( 0.010, -0.029, -0.170) ( 0.009, -0.026, -0.147) ( 0.00, 0.01, 0.39) 250: vdw ( 2.635, -1.088, 0.220) ( 2.635, -1.088, 0.220) ( 0.00, 0.00, 0.00) 250: electro ( 0.875, -0.697, 0.340) ( 0.875, -0.697, 0.340) ( 0.00, 0.00, 0.00) 248: bond ( -0.083, -1.551, 0.585) ( -0.083, -1.548, 0.586) ( 0.00, 0.21, 0.03) 248: angle ( -2.409, 0.039, -0.237) ( -2.408, 0.039, -0.237) ( 0.03, 0.00, 0.00) 248: strbnd ( 0.317, 2.635, -1.018) ( 0.317, 2.635, -1.018) ( 0.00, 0.00, 0.00) 248: torsion ( -0.335, 0.971, 2.518) ( -0.335, 0.971, 2.518) ( 0.00, 0.00, 0.01) 248: oop ( -0.020, 0.060, 0.155) ( -0.017, 0.051, 0.132) ( 0.01, 0.05, 0.36) 248: vdw ( 1.947, -0.339, -2.146) ( 1.947, -0.339, -2.146) ( 0.01, 0.00, 0.00) 248: electro ( 0.582, -1.781, 0.164) ( 0.582, -1.781, 0.164) ( 0.00, 0.00, 0.00) 248: 13 ( -0.131, 0.117, 0.103) ( -0.105, 0.076, -0.037) ( 0.34, 0.47, 1.45) 248: bond (-10.578, 16.134, -6.570) (-10.572, 16.139, -6.569) ( 0.06, 0.03, 0.01) 248: angle ( 3.774, -9.877, 3.575) ( 3.776, -9.875, 3.575) ( 0.06, 0.02, 0.00) 248: strbnd ( 6.607, 8.014, -1.786) ( 6.607, 8.014, -1.786) ( 0.00, 0.00, 0.00) 248: torsion ( 0.139, -0.606, -1.888) ( 0.139, -0.606, -1.887) ( 0.00, 0.01, 0.06) 248: oop ( -0.104, 0.267, 0.810) ( -0.086, 0.220, 0.668) ( 0.18, 1.25, 11.54) 248: vdw ( 2.473, -10.532, 5.124) ( 2.473, -10.532, 5.124) ( 0.01, 0.00, 0.00) 248: electro ( -2.443, -3.284, 0.838) ( -2.443, -3.284, 0.838) ( 0.00, 0.00, 0.00) 248: 14 ( -0.003, 0.005, 0.001) ( -0.002, 0.008, -0.001) ( 0.00, 0.00, 0.00) 248: bond ( 0.027, 1.931, -0.640) ( 0.027, 1.934, -0.640) ( 0.00, 0.18, 0.02) 248: angle ( -2.454, -0.061, -0.290) ( -2.454, -0.061, -0.290) ( 0.03, 0.00, 0.00) 248: strbnd ( -0.157, -0.599, 0.177) ( -0.157, -0.599, 0.177) ( 0.00, 0.00, 0.00) 248: torsion ( 0.008, -0.021, -0.062) ( 0.008, -0.021, -0.062) ( 0.00, 0.00, 0.00) 248: oop ( -0.002, 0.005, 0.014) ( -0.001, 0.004, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( 3.894, -1.054, 0.744) ( 3.894, -1.054, 0.744) ( 0.00, 0.00, 0.00) 248: electro ( -1.319, -0.195, 0.058) ( -1.319, -0.195, 0.058) ( 0.00, 0.00, 0.00) 248: 15 ( 0.084, -0.049, 0.001) ( 0.085, -0.040, 0.023) ( 0.00, 0.04, 0.00) 248: bond ( 0.221, -0.141, 0.077) ( 0.224, -0.139, 0.077) ( 0.07, 0.02, 0.00) 248: angle ( 4.781, 6.809, -1.605) ( 4.781, 6.810, -1.605) ( 0.01, 0.01, 0.00) 248: strbnd ( -0.896, 1.110, -0.480) ( -0.896, 1.110, -0.480) ( 0.00, 0.00, 0.00) 248: torsion ( 0.065, -0.159, -0.479) ( 0.065, -0.159, -0.479) ( 0.00, 0.00, 0.01) 248: oop ( 0.019, -0.046, -0.139) ( 0.016, -0.039, -0.117) ( 0.01, 0.03, 0.30) 248: vdw ( -4.637, -7.161, 2.713) ( -4.637, -7.161, 2.713) ( 0.00, 0.00, 0.00) 248: electro ( 0.531, -0.461, -0.087) ( 0.531, -0.461, -0.087) ( 0.00, 0.00, 0.00) 248: 16 ( -0.036, 0.120, -0.185) ( 0.001, 0.011, 0.028) ( 0.13, 1.30, 3.96) 248: bond ( 11.932, 3.001, 15.852) ( 11.937, 3.005, 15.854) ( 0.04, 0.13, 0.01) 248: angle ( 23.478, 14.321, -5.626) ( 23.480, 14.322, -5.625) ( 0.01, 0.01, 0.02) 248: strbnd (-17.338, -10.628, -0.306) (-17.339, -10.629, -0.306) ( 0.01, 0.01, 0.01) 248: torsion ( 2.457, -3.717, -2.036) ( 2.457, -3.717, -2.036) ( 0.00, 0.00, 0.01) 248: oop ( -0.175, 1.180, -2.156) ( -0.144, 1.066, -1.945) ( 0.54, 9.63, 9.80) 248: vdw ( -3.584, -3.576, 0.274) ( -3.584, -3.576, 0.274) ( 0.00, 0.00, 0.00) 248: electro (-16.806, -0.461, -6.188) (-16.806, -0.461, -6.188) ( 0.00, 0.00, 0.00) 248: 17 ( -0.042, -0.053, 0.059) ( -0.045, -0.033, 0.101) ( 0.01, 0.11, 0.25) 248: bond ( -1.611, -0.017, 3.957) ( -1.609, -0.012, 3.962) ( 0.12, 0.01, 0.12) 248: angle ( 6.180, 1.067, -5.100) ( 6.182, 1.069, -5.098) ( 0.03, 0.17, 0.04) 248: strbnd ( 0.100, -7.392, 3.328) ( 0.099, -7.392, 3.327) ( 0.00, 0.01, 0.03) 248: torsion ( 0.098, -0.377, 0.788) ( 0.098, -0.377, 0.788) ( 0.00, 0.00, 0.00) 248: oop ( 0.041, -0.083, -0.211) ( 0.034, -0.069, -0.175) ( 0.03, 0.12, 0.75) 252: electro ( 2.504, 0.432, -0.598) ( 2.504, 0.432, -0.598) ( 0.00, 0.00, 0.00) 252: 29 ( -0.232, -0.372, -1.097) ( -0.323, -0.236, -1.026) ( 2.10, 5.04, 6.49) 252: bond ( -3.268, 7.249, 5.605) ( -3.264, 7.254, 5.609) ( 0.11, 0.06, 0.08) 252: angle ( 1.228, -5.262, -5.708) ( 1.229, -5.261, -5.706) ( 0.14, 0.03, 0.04) 252: strbnd ( -1.075, 1.910, 2.578) ( -1.075, 1.910, 2.578) ( 0.06, 0.02, 0.02) 252: torsion ( -1.983, -2.819, -0.108) ( -1.983, -2.819, -0.108) ( 0.00, 0.00, 0.00) 252: oop ( 0.919, -1.262, -0.629) ( 0.825, -1.132, -0.564) ( 8.72, 10.33, 4.10) 252: vdw ( 3.898, -0.356, -3.193) ( 3.898, -0.356, -3.193) ( 0.00, 0.00, 0.00) 252: electro ( 0.048, 0.168, 0.357) ( 0.048, 0.168, 0.357) ( 0.00, 0.00, 0.00) 252: 30 ( 1.016, 2.220, 3.568) ( 1.737, 1.301, 3.105) (70.91, 41.39, 12.97) 252: bond ( -1.273, -3.810, 6.037) ( -1.269, -3.807, 6.047) ( 0.30, 0.07, 0.16) 252: angle ( 1.224, 1.913, 5.350) ( 1.225, 1.914, 5.352) ( 0.15, 0.07, 0.03) 252: strbnd ( -1.468, 0.550, -3.069) ( -1.469, 0.549, -3.071) ( 0.07, 0.04, 0.07) 252: torsion ( -0.091, 0.173, 0.599) ( -0.091, 0.173, 0.599) ( 0.00, 0.00, 0.00) 252: oop ( -3.638, 4.815, 2.435) ( -2.922, 3.893, 1.963) (19.69, 19.15, 19.39) 252: vdw ( 6.948, -1.148, -6.767) ( 6.948, -1.148, -6.767) ( 0.00, 0.00, 0.00) 252: electro ( -0.686, -0.273, -1.017) ( -0.686, -0.273, -1.017) ( 0.00, 0.00, 0.00) 252: 31 ( 2.419, -0.986, -2.275) ( 2.104, -0.579, -2.060) (13.02, 40.06, 9.46) 252: bond ( 0.058, 0.328, -0.551) ( 0.058, 0.330, -0.546) ( 0.00, 0.06, 0.28) 252: angle ( -2.127, -1.116, -0.901) ( -2.127, -1.116, -0.901) ( 0.03, 0.02, 0.01) 252: strbnd ( -0.372, -0.811, 1.064) ( -0.372, -0.811, 1.064) ( 0.00, 0.01, 0.01) 252: torsion ( 0.357, -0.491, -0.258) ( 0.357, -0.491, -0.258) ( 0.00, 0.00, 0.00) 252: oop ( 1.362, -1.784, -0.930) ( 1.047, -1.380, -0.720) (23.18, 22.66, 19.55) 252: vdw ( 3.653, 3.015, -1.101) ( 3.653, 3.015, -1.101) ( 0.00, 0.00, 0.00) 252: electro ( -0.512, -0.127, 0.402) ( -0.512, -0.127, 0.402) ( 0.00, 0.00, 0.00) 252: 32 ( 5.348, 0.730, -4.432) ( 5.046, 1.120, -4.230) ( 5.64, 28.45, 4.56) 252: bond ( -3.495, -0.110, -5.185) ( -3.493, -0.110, -5.181) ( 0.06, 0.00, 0.09) 252: angle ( 0.338, 0.315, -0.235) ( 0.339, 0.316, -0.235) ( 0.01, 0.02, 0.00) 252: strbnd ( 0.426, -0.497, 1.754) ( 0.426, -0.497, 1.754) ( 0.01, 0.00, 0.01) 252: torsion ( -0.160, 0.219, 0.103) ( -0.160, 0.219, 0.103) ( 0.00, 0.00, 0.00) 252: oop ( 1.355, -1.770, -0.876) ( 1.050, -1.382, -0.679) (22.48, 21.97, 17.28) 252: vdw ( 8.930, 2.395, -1.527) ( 8.930, 2.395, -1.527) ( 0.00, 0.00, 0.00) 252: electro ( -2.046, 0.178, 1.533) ( -2.046, 0.178, 1.533) ( 0.00, 0.00, 0.00) 252: 33 ( 7.505, -1.009, 1.807) ( 7.506, -1.002, 1.810) ( 0.01, 0.66, 0.20) 252: bond ( -0.019, -1.678, -1.610) ( -0.019, -1.671, -1.608) ( 0.00, 0.37, 0.18) 252: angle ( 8.749, -2.680, 5.549) ( 8.750, -2.680, 5.550) ( 0.01, 0.01, 0.02) 252: strbnd ( 0.282, -2.395, -3.567) ( 0.282, -2.395, -3.567) ( 0.00, 0.00, 0.01) 252: torsion ( -0.756, 0.926, -0.619) ( -0.756, 0.926, -0.619) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.059, 4.362, 2.702) ( 2.059, 4.362, 2.702) ( 0.01, 0.00, 0.00) 252: electro ( -2.810, 0.456, -0.648) ( -2.810, 0.456, -0.648) ( 0.00, 0.00, 0.00) 252: 34 ( 10.521, 3.577, -4.419) ( 10.527, 3.578, -4.416) ( 0.06, 0.02, 0.08) 252: bond ( 13.740, 3.045, -11.264) ( 13.745, 3.046, -11.261) ( 0.04, 0.01, 0.03) 252: angle ( 3.434, -0.862, -3.531) ( 3.435, -0.861, -3.530) ( 0.02, 0.04, 0.03) 252: strbnd ( -0.868, -0.657, 2.046) ( -0.868, -0.658, 2.046) ( 0.01, 0.00, 0.02) 250: 40 ( 0.840, -0.019, -0.312) ( 0.841, -0.018, -0.309) ( 0.11, 0.00, 0.07) 250: bond ( -1.264, 0.699, -1.919) ( -1.263, 0.699, -1.917) ( 0.07, 0.02, 0.11) 250: angle ( 0.476, 0.291, -0.208) ( 0.477, 0.292, -0.208) ( 0.02, 0.02, 0.00) 250: strbnd ( 0.323, 0.150, 1.507) ( 0.323, 0.150, 1.507) ( 0.00, 0.00, 0.00) 250: torsion ( 0.949, 0.716, -0.364) ( 0.949, 0.716, -0.364) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.355, -1.875, 0.672) ( 0.355, -1.875, 0.672) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 41 ( 0.302, 0.253, -0.644) ( 0.303, 0.254, -0.641) ( 0.04, 0.02, 0.15) 250: bond ( -1.052, 0.652, 1.694) ( -1.051, 0.653, 1.696) ( 0.08, 0.02, 0.13) 250: angle ( 1.336, 3.153, -0.385) ( 1.337, 3.153, -0.384) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.202, 0.175, -1.360) ( 0.202, 0.175, -1.360) ( 0.00, 0.00, 0.00) 250: torsion ( -0.348, -0.299, -0.101) ( -0.348, -0.299, -0.101) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.164, -3.428, -0.491) ( 0.164, -3.428, -0.491) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 42 ( 0.242, -0.051, 0.087) ( 0.243, -0.051, 0.090) ( 0.02, 0.00, 0.03) 250: bond ( 0.344, 0.091, -1.789) ( 0.344, 0.091, -1.786) ( 0.00, 0.00, 0.18) 250: angle ( -2.274, 1.718, -0.351) ( -2.274, 1.718, -0.351) ( 0.02, 0.03, 0.00) 250: strbnd ( 0.055, 0.966, 0.467) ( 0.055, 0.966, 0.467) ( 0.00, 0.00, 0.00) 250: torsion ( 0.347, 0.529, 0.094) ( 0.347, 0.529, 0.094) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.770, -3.355, 1.666) ( 1.770, -3.355, 1.666) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 43 ( 0.647, 0.422, -0.099) ( 0.648, 0.424, -0.099) ( 0.07, 0.12, 0.01) 250: bond ( -0.598, 1.361, 0.419) ( -0.597, 1.363, 0.420) ( 0.03, 0.19, 0.01) 250: angle ( 0.254, 1.061, -3.086) ( 0.255, 1.061, -3.085) ( 0.01, 0.01, 0.02) 250: strbnd ( 0.585, 0.274, -0.771) ( 0.585, 0.274, -0.771) ( 0.00, 0.00, 0.00) 250: torsion ( -0.431, -0.894, 2.291) ( -0.431, -0.894, 2.291) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.837, -1.379, 1.046) ( 0.837, -1.379, 1.046) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 44 ( -0.948, 0.980, 0.797) ( -0.947, 0.982, 0.799) ( 0.08, 0.11, 0.21) 250: bond ( -0.079, -0.094, -0.209) ( -0.078, -0.094, -0.207) ( 0.00, 0.00, 0.05) 250: angle ( -1.561, 3.754, -1.115) ( -1.561, 3.755, -1.115) ( 0.03, 0.01, 0.01) 250: strbnd ( -1.025, 0.299, 0.384) ( -1.025, 0.299, 0.384) ( 0.00, 0.00, 0.00) 250: torsion ( 0.309, -1.025, 0.349) ( 0.309, -1.025, 0.349) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.408, -1.954, 1.389) ( 1.408, -1.954, 1.389) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 45 ( 0.684, 0.907, 1.369) ( 0.687, 0.908, 1.370) ( 0.16, 0.08, 0.09) 250: bond ( -1.901, 0.820, 1.194) ( -1.899, 0.820, 1.195) ( 0.11, 0.03, 0.07) 250: angle ( -0.217, -0.147, -0.244) ( -0.216, -0.146, -0.243) ( 0.00, 0.01, 0.01) 250: strbnd ( -0.303, -0.559, -1.117) ( -0.303, -0.559, -1.117) ( 0.00, 0.00, 0.00) 250: torsion ( 1.043, 1.144, 0.873) ( 1.043, 1.144, 0.873) ( 0.00, 0.00, 0.00) 248: vdw ( -4.964, 6.311, -2.568) ( -4.963, 6.311, -2.568) ( 0.00, 0.00, 0.00) 248: electro ( 0.114, 0.437, -0.136) ( 0.114, 0.437, -0.136) ( 0.00, 0.00, 0.00) 248: 18 ( 0.022, -0.013, 0.018) ( 0.025, -0.012, 0.017) ( 0.01, 0.00, 0.00) 248: bond ( 2.427, -1.578, 1.180) ( 2.429, -1.577, 1.181) ( 0.09, 0.06, 0.04) 248: angle ( 0.938, 1.300, -0.193) ( 0.938, 1.300, -0.193) ( 0.02, 0.03, 0.00) 248: strbnd ( 0.253, 0.443, -0.086) ( 0.253, 0.443, -0.086) ( 0.00, 0.00, 0.00) 248: torsion ( -0.194, 0.249, 0.730) ( -0.194, 0.249, 0.731) ( 0.00, 0.00, 0.02) 248: oop ( -0.004, 0.005, 0.016) ( -0.004, 0.005, 0.014) ( 0.00, 0.00, 0.00) 248: vdw ( -0.726, 0.545, -1.869) ( -0.726, 0.545, -1.869) ( 0.01, 0.01, 0.00) 248: electro ( -2.672, -0.977, 0.240) ( -2.672, -0.977, 0.240) ( 0.00, 0.00, 0.00) 248: 19 ( 0.012, -0.001, 0.074) ( 0.011, 0.052, 0.016) ( 0.00, 0.01, 0.42) 248: bond ( 14.557, -7.075, -16.796) ( 14.561, -7.071, -16.792) ( 0.03, 0.06, 0.03) 248: angle ( -6.287, 1.336, 9.984) ( -6.284, 1.338, 9.986) ( 0.04, 0.15, 0.02) 248: strbnd ( -1.105, -2.672, 1.853) ( -1.106, -2.672, 1.852) ( 0.07, 0.04, 0.04) 248: torsion ( -2.492, 2.882, -3.676) ( -2.492, 2.882, -3.676) ( 0.00, 0.00, 0.00) 248: oop ( 0.033, -0.539, 0.714) ( 0.027, -0.492, 0.651) ( 0.02, 2.58, 4.51) 248: vdw ( -0.883, 6.505, 5.249) ( -0.883, 6.505, 5.250) ( 0.01, 0.00, 0.00) 248: electro ( -3.811, -0.439, 2.744) ( -3.811, -0.439, 2.744) ( 0.00, 0.00, 0.00) 248: 20 ( -0.013, -0.015, 0.097) ( 0.002, 0.007, -0.001) ( 0.02, 0.03, 0.95) 248: bond ( -3.175, 21.247, -4.289) ( -3.171, 21.251, -4.285) ( 0.12, 0.02, 0.11) 248: angle ( -1.211, -12.477, 2.194) ( -1.209, -12.475, 2.196) ( 0.17, 0.02, 0.08) 248: strbnd ( -3.415, -1.229, 2.715) ( -3.416, -1.230, 2.715) ( 0.04, 0.07, 0.01) 248: torsion ( -0.125, 0.194, 3.424) ( -0.125, 0.195, 3.424) ( 0.00, 0.00, 0.00) 248: oop ( -0.155, -0.246, 0.892) ( -0.144, -0.229, 0.787) ( 0.17, 0.40, 9.32) 248: vdw ( 9.608, -0.387, -5.167) ( 9.608, -0.387, -5.167) ( 0.00, 0.01, 0.00) 248: electro ( -1.539, -7.118, 0.328) ( -1.539, -7.118, 0.328) ( 0.00, 0.00, 0.00) 248: 21 ( -0.002, -0.008, -0.022) ( 0.000, -0.007, -0.021) ( 0.00, 0.00, 0.00) 248: bond ( 1.613, -1.085, 0.142) ( 1.615, -1.084, 0.142) ( 0.14, 0.10, 0.00) 248: angle ( -3.259, -5.157, -2.297) ( -3.259, -5.157, -2.296) ( 0.01, 0.01, 0.02) 248: strbnd ( -0.614, 0.250, -1.435) ( -0.614, 0.250, -1.435) ( 0.00, 0.00, 0.00) 248: torsion ( 0.085, 0.141, 0.107) ( 0.085, 0.141, 0.107) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.173, 5.843, 3.461) ( 2.173, 5.843, 3.461) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 ( 0.001, 0.003, -0.029) ( 0.002, 0.004, -0.025) ( 0.00, 0.00, 0.01) 248: bond ( -0.285, 1.036, -3.315) ( -0.285, 1.036, -3.312) ( 0.00, 0.03, 0.09) 248: angle ( 0.181, -1.068, -0.350) ( 0.182, -1.067, -0.350) ( 0.01, 0.05, 0.00) 248: strbnd ( 0.973, -1.118, 0.103) ( 0.973, -1.118, 0.103) ( 0.00, 0.00, 0.00) 248: torsion ( 0.351, -0.744, -0.263) ( 0.351, -0.744, -0.263) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.220, 1.896, 3.796) ( -1.220, 1.896, 3.796) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( 0.003, -0.104, -0.010) ( 0.007, -0.098, -0.004) ( 0.00, 0.06, 0.01) 248: bond ( -3.127, -17.812, 3.460) ( -3.123, -17.808, 3.465) ( 0.13, 0.02, 0.13) 252: torsion ( -0.397, 0.278, 0.129) ( -0.397, 0.278, 0.129) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.894, 2.781, 6.709) ( -1.894, 2.781, 6.709) ( 0.01, 0.00, 0.00) 252: electro ( -3.494, -1.009, 1.492) ( -3.494, -1.009, 1.492) ( 0.00, 0.00, 0.00) 252: 35 ( 0.612, -0.567, -0.708) ( 0.616, -0.568, -0.704) ( 0.25, 0.04, 0.32) 252: bond ( 2.204, -0.030, -0.236) ( 2.207, -0.030, -0.236) ( 0.17, 0.00, 0.00) 252: angle ( -0.031, -0.619, -0.215) ( -0.031, -0.619, -0.215) ( 0.00, 0.04, 0.00) 252: strbnd ( -0.630, -0.117, 0.028) ( -0.630, -0.117, 0.028) ( 0.00, 0.00, 0.00) 252: torsion ( -0.041, 0.142, -0.401) ( -0.041, 0.142, -0.401) ( 0.00, 0.00, 0.01) 252: oop ( -0.003, 0.009, -0.025) ( -0.002, 0.007, -0.021) ( 0.00, 0.00, 0.01) 252: vdw ( -0.755, 0.010, 0.078) ( -0.755, 0.010, 0.078) ( 0.00, 0.00, 0.00) 252: electro ( -0.132, 0.038, 0.062) ( -0.132, 0.038, 0.062) ( 0.00, 0.00, 0.00) 252: 36 ( -0.249, -1.029, 0.334) ( -0.247, -1.029, 0.343) ( 0.05, 0.03, 0.32) 252: bond ( 1.008, -1.858, -0.711) ( 1.009, -1.855, -0.710) ( 0.08, 0.14, 0.03) 252: angle ( -0.810, -0.409, -0.083) ( -0.810, -0.408, -0.083) ( 0.04, 0.01, 0.00) 252: strbnd ( -0.164, 0.654, 0.244) ( -0.164, 0.654, 0.244) ( 0.00, 0.00, 0.00) 252: torsion ( 0.047, -0.195, 0.576) ( 0.047, -0.195, 0.577) ( 0.00, 0.00, 0.02) 252: oop ( -0.004, 0.018, -0.054) ( -0.003, 0.015, -0.045) ( 0.00, 0.01, 0.05) 252: vdw ( -0.412, 0.629, 0.244) ( -0.412, 0.629, 0.244) ( 0.00, 0.00, 0.00) 252: electro ( 0.086, 0.132, 0.117) ( 0.086, 0.132, 0.117) ( 0.00, 0.00, 0.00) 252: 37 ( -1.459, 0.450, -0.189) ( -1.459, 0.459, -0.205) ( 0.02, 0.38, 0.31) 252: bond ( -1.065, -1.705, -0.491) ( -1.064, -1.702, -0.491) ( 0.09, 0.15, 0.01) 252: angle ( 2.772, -1.525, -0.719) ( 2.772, -1.525, -0.719) ( 0.02, 0.01, 0.00) 252: strbnd ( 0.823, 1.075, 0.277) ( 0.823, 1.075, 0.277) ( 0.00, 0.00, 0.00) 252: torsion ( 0.096, -0.361, 1.046) ( 0.096, -0.361, 1.046) ( 0.00, 0.00, 0.03) 252: oop ( 0.009, -0.035, 0.104) ( 0.007, -0.030, 0.087) ( 0.00, 0.02, 0.17) 252: vdw ( -4.611, 3.272, -0.769) ( -4.611, 3.272, -0.769) ( 0.00, 0.00, 0.00) 252: electro ( 0.518, -0.270, 0.365) ( 0.518, -0.270, 0.365) ( 0.00, 0.00, 0.00) 252: 38 ( 0.697, -0.095, -1.643) ( 0.702, -0.112, -1.585) ( 0.38, 0.16, 3.53) 252: bond ( -0.610, 1.154, 0.431) ( -0.609, 1.156, 0.432) ( 0.05, 0.23, 0.02) 252: angle ( 2.171, 1.091, 0.140) ( 2.172, 1.091, 0.140) ( 0.03, 0.01, 0.00) 252: strbnd ( 0.292, -0.874, -0.249) ( 0.292, -0.874, -0.249) ( 0.00, 0.00, 0.00) 252: torsion ( -0.070, 0.364, -1.074) ( -0.070, 0.364, -1.074) ( 0.00, 0.00, 0.03) 252: oop ( -0.025, 0.116, -0.346) ( -0.021, 0.097, -0.289) ( 0.01, 0.22, 1.99) 252: vdw ( -0.968, -2.087, -0.646) ( -0.967, -2.087, -0.646) ( 0.00, 0.00, 0.00) 252: electro ( -0.094, 0.142, 0.101) ( -0.094, 0.142, 0.101) ( 0.00, 0.00, 0.00) 252: 39 ( 0.579, 0.285, -1.567) ( 0.582, 0.284, -1.555) ( 0.17, 0.03, 0.77) 252: bond ( 1.161, 1.766, 0.453) ( 1.162, 1.769, 0.453) ( 0.09, 0.14, 0.01) 252: angle ( 0.496, -0.284, -0.165) ( 0.497, -0.284, -0.165) ( 0.02, 0.00, 0.00) 252: strbnd ( -0.428, -0.962, -0.256) ( -0.428, -0.962, -0.256) ( 0.00, 0.00, 0.00) 252: torsion ( -0.154, 0.452, -1.372) ( -0.154, 0.452, -1.372) ( 0.00, 0.00, 0.02) 252: oop ( -0.008, 0.023, -0.071) ( -0.007, 0.019, -0.059) ( 0.00, 0.01, 0.08) 252: vdw ( -0.423, -0.628, -0.165) ( -0.423, -0.628, -0.165) ( 0.00, 0.00, 0.00) 252: electro ( -0.066, -0.083, 0.009) ( -0.066, -0.083, 0.009) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.062, -0.352, 0.663) ( 2.062, -0.352, 0.663) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 46 ( 0.367, -0.348, 0.007) ( 0.368, -0.346, 0.010) ( 0.03, 0.04, 0.00) 250: bond ( -0.743, 1.942, 5.648) ( -0.743, 1.943, 5.651) ( 0.01, 0.02, 0.05) 250: angle ( -0.834, 2.429, -0.945) ( -0.833, 2.430, -0.945) ( 0.05, 0.03, 0.01) 250: strbnd ( -0.401, -0.284, -2.968) ( -0.401, -0.284, -2.968) ( 0.00, 0.00, 0.00) 250: torsion ( -0.439, -1.217, 0.361) ( -0.439, -1.217, 0.361) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.784, -3.218, -2.089) ( 2.784, -3.218, -2.089) ( 0.00, 0.01, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 47 ( 0.015, -0.265, 0.203) ( 0.016, -0.264, 0.204) ( 0.00, 0.04, 0.03) 250: bond ( 0.405, -0.387, -0.424) ( 0.406, -0.386, -0.423) ( 0.05, 0.04, 0.05) 250: angle ( -2.172, -2.780, 0.450) ( -2.171, -2.779, 0.451) ( 0.02, 0.01, 0.02) 250: strbnd ( -0.734, 0.044, 1.793) ( -0.734, 0.044, 1.793) ( 0.00, 0.00, 0.00) 250: torsion ( -0.276, -0.075, -0.196) ( -0.276, -0.075, -0.196) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.791, 2.933, -1.421) ( 2.791, 2.933, -1.421) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 48 ( -0.723, -0.153, -2.370) ( -0.721, -0.151, -2.369) ( 0.12, 0.03, 0.05) 250: bond ( -0.977, 1.037, 0.786) ( -0.976, 1.038, 0.787) ( 0.12, 0.13, 0.06) 250: angle ( -0.242, 0.074, -0.397) ( -0.241, 0.074, -0.397) ( 0.01, 0.00, 0.01) 250: strbnd ( 0.015, -0.149, -2.101) ( 0.015, -0.149, -2.101) ( 0.00, 0.00, 0.00) 250: torsion ( -0.303, 0.391, -0.890) ( -0.303, 0.391, -0.890) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.783, -1.505, 0.233) ( 0.783, -1.505, 0.233) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 49 ( 0.608, -1.419, -1.523) ( 0.609, -1.418, -1.520) ( 0.04, 0.06, 0.21) 250: bond ( -0.234, 0.800, -3.501) ( -0.234, 0.800, -3.498) ( 0.00, 0.01, 0.09) 250: angle ( -0.364, -2.283, -0.498) ( -0.363, -2.283, -0.498) ( 0.02, 0.02, 0.00) 250: strbnd ( -1.308, 0.802, 1.925) ( -1.308, 0.802, 1.925) ( 0.00, 0.00, 0.00) 250: torsion ( 1.209, -1.267, -0.371) ( 1.209, -1.267, -0.371) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.305, 0.529, 0.922) ( 1.305, 0.529, 0.922) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 50 ( -1.926, -0.688, -1.325) ( -1.925, -0.687, -1.323) ( 0.05, 0.11, 0.15) 250: bond ( 1.132, -1.684, -2.127) ( 1.132, -1.683, -2.125) ( 0.04, 0.07, 0.08) 250: angle ( -0.386, 0.713, -0.771) ( -0.386, 0.714, -0.771) ( 0.02, 0.03, 0.02) 250: strbnd ( -0.234, -0.477, 1.916) ( -0.234, -0.478, 1.916) ( 0.00, 0.00, 0.00) 250: torsion ( -0.839, 0.814, -1.092) ( -0.839, 0.814, -1.092) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.600, -0.054, 0.749) ( -1.600, -0.054, 0.749) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 51 ( 0.141, -0.997, -1.237) ( 0.142, -0.996, -1.234) ( 0.01, 0.10, 0.23) 250: bond ( -0.459, 0.602, -1.366) ( -0.459, 0.603, -1.364) ( 0.01, 0.03, 0.19) 248: angle ( 0.202, 7.188, -7.171) ( 0.204, 7.190, -7.169) ( 0.04, 0.03, 0.02) 248: strbnd ( 3.369, -1.380, -2.585) ( 3.367, -1.380, -2.585) ( 0.04, 0.05, 0.01) 248: torsion ( -0.244, 1.380, 2.916) ( -0.244, 1.381, 2.917) ( 0.00, 0.01, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.952, 7.510, 2.573) ( -0.952, 7.510, 2.573) ( 0.00, 0.00, 0.00) 248: electro ( 0.755, 3.009, 0.796) ( 0.755, 3.009, 0.796) ( 0.00, 0.00, 0.00) 248: 24 ( 0.007, -0.018, -0.003) ( 0.008, -0.016, -0.001) ( 0.00, 0.00, 0.00) 248: bond ( 0.060, 1.792, 1.597) ( 0.060, 1.794, 1.599) ( 0.00, 0.10, 0.09) 248: angle ( -3.575, -1.364, 1.663) ( -3.575, -1.363, 1.664) ( 0.02, 0.02, 0.02) 248: strbnd ( -0.521, 0.527, -1.117) ( -0.521, 0.527, -1.117) ( 0.00, 0.00, 0.00) 248: torsion ( 0.187, -0.049, 0.048) ( 0.187, -0.049, 0.048) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 3.856, -0.925, -2.194) ( 3.857, -0.925, -2.194) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( 0.066, -0.058, -0.075) ( 0.072, -0.052, -0.069) ( 0.04, 0.03, 0.04) 248: bond (-13.633, 0.941, 12.416) (-13.629, 0.945, 12.421) ( 0.03, 0.39, 0.04) 248: angle ( 2.350, 2.416, -9.408) ( 2.353, 2.418, -9.406) ( 0.09, 0.08, 0.02) 248: strbnd ( 0.055, 4.163, -0.501) ( 0.054, 4.162, -0.502) ( 0.00, 0.03, 0.04) 248: torsion ( 2.065, -2.248, 1.183) ( 2.065, -2.248, 1.183) ( 0.00, 0.00, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 6.223, -3.991, -2.667) ( 6.223, -3.991, -2.667) ( 0.00, 0.00, 0.00) 248: electro ( 3.006, -1.338, -1.097) ( 3.006, -1.338, -1.097) ( 0.00, 0.00, 0.00) 248: 26 ( -0.004, -0.009, 0.017) ( -0.004, -0.008, 0.020) ( 0.00, 0.00, 0.01) 248: bond ( -0.508, 1.114, -2.671) ( -0.508, 1.115, -2.668) ( 0.01, 0.04, 0.10) 248: angle ( -3.386, -1.138, 0.169) ( -3.386, -1.138, 0.170) ( 0.02, 0.04, 0.00) 248: strbnd ( -0.285, 1.027, 0.757) ( -0.285, 1.027, 0.757) ( 0.00, 0.00, 0.00) 248: torsion ( -0.469, 0.506, 0.301) ( -0.469, 0.506, 0.301) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.645, -1.519, 1.461) ( 4.645, -1.518, 1.461) ( 0.00, 0.01, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 27 ( -0.053, 0.087, 0.044) ( -0.047, 0.093, 0.047) ( 0.03, 0.05, 0.01) 248: bond (-15.148, -5.941, -10.039) (-15.143, -5.937, -10.037) ( 0.03, 0.08, 0.02) 248: angle ( -5.200, -8.059, 8.744) ( -5.198, -8.058, 8.745) ( 0.03, 0.02, 0.02) 248: strbnd ( -1.543, -1.202, 1.549) ( -1.544, -1.203, 1.548) ( 0.04, 0.04, 0.03) 248: torsion ( -0.831, 0.963, -3.227) ( -0.831, 0.963, -3.226) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 6.577, 4.313, -0.037) ( 6.577, 4.313, -0.037) ( 0.00, 0.00, 0.00) 248: electro ( 16.093, 10.014, 3.054) ( 16.093, 10.014, 3.054) ( 0.00, 0.00, 0.00) 248: 28 ( 0.001, 0.014, -0.042) ( 0.002, 0.015, -0.039) ( 0.00, 0.00, 0.01) 248: bond ( 0.463, -1.202, 2.694) ( 0.464, -1.202, 2.697) ( 0.00, 0.05, 0.10) 248: angle ( 0.035, -0.321, -0.149) ( 0.036, -0.320, -0.149) ( 0.00, 0.01, 0.00) 248: strbnd ( -0.222, -0.567, -1.132) ( -0.222, -0.567, -1.132) ( 0.00, 0.00, 0.00) 248: torsion ( 0.438, -1.586, -0.782) ( 0.438, -1.586, -0.782) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.714, 3.690, -0.674) ( -0.714, 3.690, -0.674) ( 0.00, 0.00, 0.00) 252: 40 ( -3.312, -3.973, -3.279) ( -3.286, -3.772, -3.483) ( 0.77, 5.06, 6.22) 252: bond ( 1.250, -2.067, -1.848) ( 1.251, -2.065, -1.846) ( 0.07, 0.11, 0.10) 252: angle ( -6.227, -1.125, -2.962) ( -6.226, -1.124, -2.961) ( 0.01, 0.01, 0.00) 252: strbnd ( -0.245, -0.553, -0.380) ( -0.245, -0.553, -0.380) ( 0.00, 0.00, 0.00) 252: torsion ( 1.954, -0.617, 2.015) ( 1.954, -0.617, 2.015) ( 0.00, 0.01, 0.00) 252: oop ( -0.207, -1.458, 1.491) ( -0.183, -1.260, 1.285) ( 0.50, 13.62, 13.81) 252: vdw ( -0.907, 0.415, -2.870) ( -0.907, 0.416, -2.870) ( 0.01, 0.00, 0.00) 252: electro ( 1.070, 1.432, 1.274) ( 1.070, 1.432, 1.274) ( 0.00, 0.00, 0.00) 252: 41 ( 0.314, -0.534, -1.796) ( 0.320, -0.537, -1.831) ( 0.19, 0.17, 1.93) 252: bond ( 1.745, -1.007, 0.287) ( 1.748, -1.006, 0.287) ( 0.17, 0.10, 0.00) 252: angle ( 0.464, 0.801, -0.015) ( 0.464, 0.801, -0.015) ( 0.01, 0.05, 0.00) 252: strbnd ( 0.646, 0.353, -0.007) ( 0.646, 0.352, -0.007) ( 0.00, 0.00, 0.00) 252: torsion ( 0.413, -0.701, -4.980) ( 0.413, -0.701, -4.980) ( 0.00, 0.00, 0.01) 252: oop ( -0.012, 0.022, 0.147) ( -0.009, 0.017, 0.112) ( 0.00, 0.01, 0.51) 252: vdw ( -2.888, -0.070, 2.547) ( -2.888, -0.069, 2.547) ( 0.00, 0.00, 0.00) 252: electro ( -0.055, 0.069, 0.225) ( -0.055, 0.069, 0.225) ( 0.00, 0.00, 0.00) 252: 42 ( -0.601, -0.039, -0.247) ( -0.597, -0.038, -0.240) ( 0.23, 0.00, 0.18) 252: bond ( -1.375, 0.917, 0.310) ( -1.372, 0.918, 0.310) ( 0.19, 0.11, 0.00) 252: angle ( 3.321, 4.944, 0.058) ( 3.321, 4.944, 0.059) ( 0.01, 0.01, 0.00) 252: strbnd ( -1.480, 0.664, 0.304) ( -1.480, 0.664, 0.304) ( 0.00, 0.00, 0.00) 252: torsion ( -0.662, 0.518, -4.465) ( -0.662, 0.518, -4.465) ( 0.00, 0.00, 0.01) 252: oop ( -0.006, 0.005, -0.042) ( -0.005, 0.004, -0.035) ( 0.00, 0.00, 0.03) 252: vdw ( -0.590, -7.239, 3.112) ( -0.590, -7.239, 3.112) ( 0.00, 0.00, 0.00) 252: electro ( 0.193, 0.152, 0.475) ( 0.193, 0.152, 0.475) ( 0.00, 0.00, 0.00) 252: 43 ( -0.497, 0.648, 1.335) ( -0.493, 0.649, 1.338) ( 0.18, 0.06, 0.24) 252: bond ( 1.870, 0.804, -0.109) ( 1.873, 0.804, -0.109) ( 0.17, 0.05, 0.00) 252: angle ( -0.221, 0.524, 0.072) ( -0.221, 0.524, 0.072) ( 0.00, 0.03, 0.00) 252: strbnd ( -1.440, -0.145, 0.136) ( -1.440, -0.145, 0.136) ( 0.00, 0.00, 0.00) 252: torsion ( 0.118, -0.120, 1.139) ( 0.118, -0.120, 1.139) ( 0.00, 0.00, 0.03) 252: oop ( -0.002, 0.002, -0.018) ( -0.002, 0.002, -0.015) ( 0.00, 0.00, 0.00) 252: vdw ( -0.750, -0.350, 0.003) ( -0.750, -0.350, 0.003) ( 0.00, 0.00, 0.00) 252: electro ( -0.071, -0.066, 0.111) ( -0.071, -0.066, 0.111) ( 0.00, 0.00, 0.00) 252: 44 ( -1.262, 0.524, 0.724) ( -1.261, 0.527, 0.732) ( 0.12, 0.15, 0.57) 252: bond ( 0.202, 1.622, 0.146) ( 0.202, 1.625, 0.146) ( 0.00, 0.23, 0.00) 252: angle ( -1.147, 0.132, 0.122) ( -1.147, 0.132, 0.122) ( 0.06, 0.00, 0.00) 252: strbnd ( -0.299, -0.281, 0.005) ( -0.299, -0.281, 0.005) ( 0.00, 0.00, 0.00) 252: torsion ( 0.051, -0.056, 0.548) ( 0.051, -0.056, 0.549) ( 0.00, 0.00, 0.02) 252: oop ( -0.004, 0.004, -0.044) ( -0.004, 0.004, -0.036) ( 0.00, 0.00, 0.03) 252: vdw ( -0.104, -0.746, -0.073) ( -0.104, -0.746, -0.073) ( 0.00, 0.00, 0.00) 252: electro ( 0.039, -0.152, 0.018) ( 0.039, -0.152, 0.018) ( 0.00, 0.00, 0.00) 252: 45 ( -1.564, -0.339, -0.643) ( -1.563, -0.337, -0.657) ( 0.08, 0.10, 0.90) 252: bond ( -2.026, 1.473, 0.312) ( -2.024, 1.474, 0.312) ( 0.12, 0.09, 0.00) 252: angle ( -0.884, -1.211, -0.011) ( -0.883, -1.211, -0.011) ( 0.02, 0.04, 0.00) 252: strbnd ( 0.669, 0.039, -0.071) ( 0.669, 0.039, -0.071) ( 0.00, 0.00, 0.00) 252: torsion ( -0.083, 0.075, -0.891) ( -0.083, 0.075, -0.891) ( 0.00, 0.00, 0.03) 250: angle ( -4.840, -2.593, 0.483) ( -4.839, -2.592, 0.483) ( 0.01, 0.02, 0.01) 250: strbnd ( -0.066, -0.914, -1.669) ( -0.066, -0.914, -1.669) ( 0.00, 0.00, 0.00) 250: torsion ( 0.609, -0.569, -0.456) ( 0.609, -0.569, -0.456) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.897, 2.477, 1.772) ( 4.897, 2.477, 1.772) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 52 ( -2.339, 0.741, 1.932) ( -2.338, 0.742, 1.935) ( 0.04, 0.05, 0.15) 250: bond ( -0.579, 0.431, -1.609) ( -0.579, 0.431, -1.606) ( 0.02, 0.01, 0.17) 250: angle ( -0.609, 2.084, 0.779) ( -0.609, 2.085, 0.779) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.098, 0.859, 1.399) ( 0.098, 0.859, 1.399) ( 0.00, 0.00, 0.00) 250: torsion ( -0.384, -0.338, 0.048) ( -0.384, -0.338, 0.048) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.864, -2.295, 1.315) ( -0.864, -2.295, 1.315) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 53 ( 0.056, -1.491, 2.539) ( 0.057, -1.489, 2.541) ( 0.01, 0.13, 0.06) 250: bond ( -1.594, 2.825, 2.595) ( -1.593, 2.827, 2.597) ( 0.03, 0.05, 0.05) 250: angle ( -1.514, -2.295, 1.569) ( -1.514, -2.295, 1.569) ( 0.03, 0.01, 0.02) 250: strbnd ( 0.494, -0.602, -2.308) ( 0.494, -0.602, -2.308) ( 0.00, 0.00, 0.00) 250: torsion ( 1.240, -0.042, 0.806) ( 1.240, -0.042, 0.806) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.431, -1.377, -0.123) ( 1.431, -1.377, -0.123) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 54 ( -1.751, -1.353, 0.152) ( -1.750, -1.352, 0.155) ( 0.04, 0.06, 0.05) 250: bond ( -0.353, 0.090, 4.018) ( -0.353, 0.090, 4.021) ( 0.00, 0.00, 0.08) 250: angle ( -0.173, -0.584, -0.002) ( -0.173, -0.583, -0.002) ( 0.01, 0.04, 0.00) 250: strbnd ( 0.100, -0.938, -1.958) ( 0.100, -0.938, -1.958) ( 0.00, 0.00, 0.00) 250: torsion ( -1.477, -0.328, -0.122) ( -1.476, -0.328, -0.122) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.153, 0.407, -1.784) ( 0.153, 0.407, -1.784) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 55 ( -0.691, -0.566, -0.526) ( -0.688, -0.566, -0.525) ( 0.22, 0.04, 0.04) 250: bond ( -0.658, -0.057, -0.193) ( -0.655, -0.057, -0.193) ( 0.21, 0.00, 0.01) 250: angle ( 0.205, -4.548, 0.655) ( 0.205, -4.547, 0.655) ( 0.00, 0.01, 0.03) 250: strbnd ( -0.169, -0.573, -0.356) ( -0.169, -0.573, -0.356) ( 0.00, 0.00, 0.00) 250: torsion ( 0.064, 0.110, -0.250) ( 0.064, 0.110, -0.250) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.132, 4.501, -0.381) ( -0.132, 4.502, -0.381) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 56 ( -1.939, -2.205, 0.809) ( -1.938, -2.204, 0.812) ( 0.03, 0.03, 0.27) 250: bond ( -0.033, -0.223, -1.036) ( -0.033, -0.223, -1.033) ( 0.00, 0.00, 0.31) 250: angle ( 0.267, -3.200, 0.682) ( 0.267, -3.200, 0.682) ( 0.01, 0.02, 0.00) 250: strbnd ( 0.445, -0.392, 0.323) ( 0.445, -0.392, 0.323) ( 0.00, 0.00, 0.00) 250: torsion ( -0.267, -0.189, 0.049) ( -0.267, -0.189, 0.049) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.350, 1.799, 0.791) ( -2.350, 1.799, 0.791) ( 0.00, 0.00, 0.00) 28: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 29 ( 0.008, 0.030, 0.008) ( 0.008, 0.032, 0.009) ( 0.00, 0.01, 0.00) 248: bond ( -0.087, -1.217, -1.051) ( -0.087, -1.215, -1.050) ( 0.00, 0.16, 0.14) 248: angle ( -0.252, 0.112, -0.110) ( -0.251, 0.113, -0.110) ( 0.02, 0.00, 0.00) 248: strbnd ( 0.115, 0.045, 1.331) ( 0.115, 0.045, 1.331) ( 0.00, 0.00, 0.00) 248: torsion ( -0.210, 0.236, -0.255) ( -0.210, 0.236, -0.255) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.441, 0.855, 0.093) ( 0.441, 0.855, 0.093) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( -0.057, 0.017, 0.002) ( -0.054, 0.018, 0.002) ( 0.02, 0.00, 0.00) 248: bond ( -1.435, 0.851, -0.093) ( -1.433, 0.852, -0.093) ( 0.17, 0.08, 0.00) 248: angle ( -0.122, -0.244, -0.343) ( -0.122, -0.243, -0.342) ( 0.00, 0.01, 0.02) 248: strbnd ( 0.598, -0.582, 1.034) ( 0.598, -0.582, 1.034) ( 0.00, 0.00, 0.00) 248: torsion ( -0.027, -0.078, -0.298) ( -0.027, -0.078, -0.297) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.930, 0.070, -0.299) ( 0.930, 0.070, -0.299) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 31 ( 0.005, -0.020, 0.028) ( 0.006, -0.019, 0.031) ( 0.00, 0.00, 0.01) 248: bond ( 0.312, -0.902, 2.849) ( 0.312, -0.902, 2.852) ( 0.00, 0.03, 0.11) 248: angle ( -0.502, 0.107, 0.089) ( -0.501, 0.107, 0.089) ( 0.03, 0.01, 0.00) 248: strbnd ( -0.940, 0.677, -0.469) ( -0.940, 0.677, -0.469) ( 0.00, 0.00, 0.00) 248: torsion ( -1.235, 1.160, 0.502) ( -1.235, 1.160, 0.502) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.370, -1.062, -2.942) ( 2.370, -1.062, -2.942) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 32 ( 0.003, -0.016, -0.010) ( 0.005, -0.014, -0.009) ( 0.00, 0.00, 0.00) 248: bond ( -0.021, -0.018, 0.009) ( -0.019, -0.016, 0.009) ( 0.00, 0.00, 0.00) 248: angle ( -0.160, 0.222, 0.062) ( -0.160, 0.222, 0.062) ( 0.00, 0.01, 0.00) 248: strbnd ( -0.521, 0.030, -0.937) ( -0.521, 0.030, -0.938) ( 0.00, 0.00, 0.01) 248: torsion ( 0.592, -0.069, 1.057) ( 0.592, -0.069, 1.057) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.902, 0.369, 0.423) ( 0.902, 0.369, 0.423) ( 0.00, 0.00, 0.00) 248: electro ( -0.789, -0.550, -0.623) ( -0.789, -0.550, -0.623) ( 0.00, 0.00, 0.00) 248: 33 ( -0.030, -0.053, 0.105) ( -0.019, -0.047, 0.022) ( 0.03, 0.03, 0.87) 248: bond ( -1.616, -9.765, 0.189) ( -1.616, -9.756, 0.189) ( 0.01, 0.10, 0.00) 248: angle ( 20.636, -3.367, 2.623) ( 20.637, -3.367, 2.623) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.680, 2.049, 0.006) ( 0.680, 2.049, 0.006) ( 0.00, 0.00, 0.00) 248: torsion ( -0.339, 0.113, 2.931) ( -0.339, 0.113, 2.931) ( 0.00, 0.00, 0.00) 248: oop ( -0.045, 0.015, 0.377) ( -0.035, 0.012, 0.294) ( 0.04, 0.00, 3.13) 248: vdw ( -3.314, -1.163, -1.055) ( -3.314, -1.163, -1.055) ( 0.00, 0.00, 0.00) 248: electro (-16.031, 12.066, -4.968) (-16.031, 12.066, -4.968) ( 0.00, 0.00, 0.00) 248: 34 ( 0.021, 0.161, 0.031) ( 0.031, 0.164, -0.005) ( 0.02, 0.05, 0.11) 248: bond ( -3.927, 2.786, -0.594) ( -3.921, 2.789, -0.594) ( 0.15, 0.13, 0.00) 248: angle ( 16.132, -2.853, 2.371) ( 16.132, -2.852, 2.372) ( 0.00, 0.05, 0.01) 248: strbnd ( -0.845, 3.072, -0.258) ( -0.845, 3.072, -0.258) ( 0.00, 0.01, 0.00) 252: oop ( 0.008, -0.007, 0.085) ( 0.007, -0.006, 0.071) ( 0.00, 0.00, 0.12) 252: vdw ( 0.563, -0.681, -0.091) ( 0.563, -0.681, -0.091) ( 0.00, 0.00, 0.00) 252: electro ( 0.189, -0.027, 0.024) ( 0.189, -0.027, 0.024) ( 0.00, 0.00, 0.00) 252: 46 ( 0.161, -1.444, -1.223) ( 0.162, -1.442, -1.237) ( 0.03, 0.16, 1.12) 252: bond ( -1.548, -0.548, 0.144) ( -1.545, -0.547, 0.145) ( 0.21, 0.02, 0.00) 252: angle ( -2.690, 7.839, 0.924) ( -2.690, 7.840, 0.924) ( 0.00, 0.01, 0.00) 252: strbnd ( 2.263, 1.431, -0.188) ( 2.263, 1.431, -0.188) ( 0.00, 0.00, 0.00) 252: torsion ( -0.041, 0.010, -0.399) ( -0.041, 0.010, -0.398) ( 0.00, 0.00, 0.01) 252: oop ( 0.011, -0.007, 0.092) ( 0.009, -0.006, 0.078) ( 0.00, 0.00, 0.13) 252: vdw ( 2.373, -10.506, -1.864) ( 2.373, -10.506, -1.864) ( 0.00, 0.00, 0.00) 252: electro ( -0.207, 0.336, 0.067) ( -0.207, 0.336, 0.067) ( 0.00, 0.00, 0.00) 252: 47 ( -0.364, 0.001, 0.224) ( -0.363, 0.002, 0.227) ( 0.04, 0.00, 0.06) 252: bond ( 2.065, 0.651, 4.277) ( 2.066, 0.651, 4.280) ( 0.03, 0.01, 0.06) 252: angle ( -1.189, 0.877, 0.440) ( -1.189, 0.878, 0.440) ( 0.04, 0.06, 0.01) 252: strbnd ( -1.004, -2.559, -2.464) ( -1.004, -2.559, -2.464) ( 0.00, 0.00, 0.00) 252: torsion ( 0.081, 1.012, -0.193) ( 0.081, 1.012, -0.193) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.317, 0.020, -1.836) ( -0.317, 0.020, -1.835) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 48 ( 0.158, 0.208, 0.381) ( 0.161, 0.209, 0.382) ( 0.05, 0.03, 0.02) 252: bond ( -1.345, -0.662, -0.174) ( -1.342, -0.661, -0.174) ( 0.21, 0.04, 0.00) 252: angle ( 2.482, -5.347, 1.171) ( 2.482, -5.347, 1.171) ( 0.00, 0.01, 0.04) 252: strbnd ( -0.569, -0.838, -0.623) ( -0.569, -0.838, -0.623) ( 0.00, 0.00, 0.00) 252: torsion ( 0.479, -1.375, 1.531) ( 0.479, -1.375, 1.531) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.889, 8.429, -1.524) ( -0.889, 8.429, -1.524) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 49 ( 0.370, -0.684, 0.437) ( 0.371, -0.684, 0.441) ( 0.03, 0.03, 0.14) 252: bond ( -0.186, 0.025, -0.685) ( -0.186, 0.025, -0.682) ( 0.00, 0.00, 0.22) 252: angle ( 1.336, -2.129, -0.442) ( 1.336, -2.128, -0.442) ( 0.04, 0.02, 0.00) 252: strbnd ( 0.611, -0.262, -0.310) ( 0.611, -0.262, -0.310) ( 0.00, 0.00, 0.00) 252: torsion ( -0.104, -0.201, 0.021) ( -0.104, -0.201, 0.021) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.287, 1.882, 1.854) ( -1.287, 1.882, 1.854) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 50 ( 0.588, 0.088, 1.012) ( 0.589, 0.092, 1.013) ( 0.04, 0.03, 0.07) 252: bond ( 0.403, -2.471, 0.627) ( 0.403, -2.468, 0.627) ( 0.00, 0.12, 0.01) 252: angle ( 5.516, 0.699, -0.794) ( 5.517, 0.699, -0.793) ( 0.01, 0.00, 0.04) 252: strbnd ( 0.314, 1.208, -0.817) ( 0.314, 1.208, -0.817) ( 0.00, 0.00, 0.00) 252: torsion ( -0.531, -0.207, -0.474) ( -0.531, -0.207, -0.474) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.114, 0.860, 2.470) ( -5.114, 0.860, 2.470) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 51 ( -0.316, -0.193, -0.505) ( -0.315, -0.192, -0.503) ( 0.06, 0.02, 0.10) 252: bond ( 0.716, -0.298, -0.826) ( 0.717, -0.297, -0.824) ( 0.10, 0.01, 0.15) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 57 ( -0.222, -0.711, 1.702) ( -0.221, -0.708, 1.703) ( 0.02, 0.16, 0.07) 250: bond ( -1.423, -3.015, 1.849) ( -1.423, -3.013, 1.849) ( 0.03, 0.07, 0.04) 250: angle ( 1.191, -0.586, -0.038) ( 1.192, -0.586, -0.038) ( 0.04, 0.01, 0.00) 250: strbnd ( 0.927, 0.636, -0.840) ( 0.927, 0.636, -0.840) ( 0.00, 0.00, 0.00) 250: torsion ( 0.670, 0.208, 0.854) ( 0.670, 0.208, 0.854) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.587, 2.046, -0.123) ( -1.587, 2.046, -0.123) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 58 ( -1.065, -1.279, -1.213) ( -1.063, -1.277, -1.212) ( 0.14, 0.19, 0.05) 250: bond ( -0.341, 0.461, 0.108) ( -0.340, 0.463, 0.108) ( 0.04, 0.10, 0.00) 250: angle ( -2.386, -1.529, -0.965) ( -2.386, -1.529, -0.964) ( 0.01, 0.01, 0.04) 250: strbnd ( -0.455, -0.647, -0.480) ( -0.455, -0.647, -0.480) ( 0.00, 0.00, 0.00) 250: torsion ( 0.014, 0.020, -0.041) ( 0.014, 0.020, -0.041) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.104, 0.416, 0.164) ( 2.104, 0.416, 0.164) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 59 ( -1.070, -1.140, -0.343) ( -1.069, -1.138, -0.342) ( 0.10, 0.20, 0.03) 250: bond ( -1.369, -2.487, 1.248) ( -1.368, -2.484, 1.248) ( 0.05, 0.09, 0.04) 250: angle ( -1.624, 0.072, -1.636) ( -1.623, 0.072, -1.636) ( 0.03, 0.00, 0.03) 250: strbnd ( -0.372, 0.804, -0.765) ( -0.372, 0.804, -0.765) ( 0.00, 0.00, 0.00) 250: torsion ( -0.290, 0.448, 0.574) ( -0.290, 0.448, 0.574) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.584, 0.022, 0.237) ( 2.584, 0.022, 0.237) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 60 ( -0.358, -1.910, -0.423) ( -0.357, -1.909, -0.420) ( 0.02, 0.03, 0.14) 250: bond ( 0.061, -0.358, -2.470) ( 0.061, -0.358, -2.467) ( 0.00, 0.00, 0.13) 250: angle ( -2.334, -1.222, 0.119) ( -2.334, -1.222, 0.119) ( 0.02, 0.04, 0.00) 250: strbnd ( -0.879, 0.068, 0.565) ( -0.879, 0.068, 0.565) ( 0.00, 0.00, 0.00) 250: torsion ( 0.016, -0.218, 0.032) ( 0.016, -0.218, 0.032) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.778, -0.179, 1.331) ( 2.778, -0.179, 1.331) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 61 ( -1.170, -0.189, 0.037) ( -1.168, -0.188, 0.038) ( 0.25, 0.01, 0.00) 250: bond ( -0.428, -0.103, -0.175) ( -0.426, -0.103, -0.175) ( 0.12, 0.00, 0.01) 250: angle ( -0.331, -3.245, 2.709) ( -0.331, -3.244, 2.710) ( 0.00, 0.01, 0.02) 250: strbnd ( -0.890, -0.655, 0.505) ( -0.890, -0.655, 0.505) ( 0.00, 0.00, 0.00) 250: torsion ( -0.146, 0.349, 0.151) ( -0.146, 0.349, 0.152) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.626, 3.464, -3.153) ( 0.626, 3.464, -3.153) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 62 ( -1.757, 0.318, 0.260) ( -1.756, 0.322, 0.261) ( 0.03, 0.11, 0.02) 250: bond ( 0.021, 0.242, -0.008) ( 0.021, 0.246, -0.008) ( 0.00, 0.08, 0.00) 250: angle ( 2.576, -0.098, 3.676) ( 2.576, -0.098, 3.677) ( 0.02, 0.00, 0.01) 248: torsion ( 0.144, -0.049, -1.174) ( 0.144, -0.049, -1.173) ( 0.00, 0.00, 0.02) 248: oop ( -0.036, 0.013, 0.294) ( -0.031, 0.011, 0.258) ( 0.02, 0.00, 1.06) 248: vdw (-11.558, -6.965, 1.339) (-11.558, -6.965, 1.339) ( 0.00, 0.00, 0.00) 248: electro ( 0.110, 4.158, -1.948) ( 0.110, 4.158, -1.948) ( 0.00, 0.00, 0.00) 248: 35 ( -0.101, -0.084, -0.013) ( -0.097, -0.081, -0.013) ( 0.04, 0.02, 0.00) 248: bond ( 0.234, 0.187, 0.015) ( 0.238, 0.189, 0.015) ( 0.08, 0.04, 0.00) 248: angle ( -9.135, 11.640, -1.684) ( -9.135, 11.640, -1.684) ( 0.00, 0.00, 0.00) 248: strbnd ( -1.252, -0.773, -0.092) ( -1.252, -0.773, -0.092) ( 0.00, 0.00, 0.00) 248: torsion ( 0.050, -0.027, -0.452) ( 0.050, -0.027, -0.452) ( 0.00, 0.00, 0.01) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.204, 0.155, -0.034) ( -0.204, 0.155, -0.034) ( 0.00, 0.00, 0.00) 248: electro ( 10.207, -11.265, 2.235) ( 10.207, -11.265, 2.235) ( 0.00, 0.00, 0.00) 248: 36 ( 0.023, -0.029, -0.012) ( 0.030, -0.025, -0.007) ( 0.01, 0.01, 0.01) 248: bond ( 1.340, -4.011, -2.272) ( 1.346, -4.008, -2.268) ( 0.45, 0.07, 0.18) 248: angle ( -1.289, 0.664, 1.982) ( -1.288, 0.666, 1.984) ( 0.08, 0.10, 0.10) 248: strbnd ( 0.232, -0.792, 0.487) ( 0.231, -0.793, 0.486) ( 0.02, 0.03, 0.03) 248: torsion ( -1.155, 0.195, -0.282) ( -1.155, 0.195, -0.282) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.717, 5.471, 0.093) ( 0.717, 5.471, 0.093) ( 0.00, 0.00, 0.00) 248: electro ( 0.179, -1.556, -0.020) ( 0.179, -1.556, -0.020) ( 0.00, 0.00, 0.00) 248: 37 ( 0.029, 0.043, -0.047) ( 0.034, 0.047, -0.041) ( 0.01, 0.02, 0.03) 248: bond ( 1.435, -3.700, -1.718) ( 1.438, -3.696, -1.713) ( 0.27, 0.10, 0.31) 248: angle ( 0.328, 0.545, 0.556) ( 0.329, 0.546, 0.558) ( 0.03, 0.08, 0.12) 248: strbnd ( -0.069, -0.300, 0.440) ( -0.069, -0.301, 0.439) ( 0.00, 0.01, 0.04) 248: torsion ( 0.956, 0.601, 0.479) ( 0.956, 0.601, 0.479) ( 0.01, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.832, 4.136, 0.355) ( -2.832, 4.136, 0.355) ( 0.00, 0.00, 0.00) 248: electro ( 0.210, -1.238, -0.159) ( 0.210, -1.238, -0.159) ( 0.00, 0.00, 0.00) 248: 38 ( -0.013, 0.017, -0.005) ( -0.012, 0.019, -0.003) ( 0.00, 0.00, 0.00) 248: bond ( 0.435, -0.767, 0.899) ( 0.435, -0.766, 0.901) ( 0.02, 0.11, 0.17) 248: angle ( 0.496, 0.229, -0.045) ( 0.496, 0.229, -0.045) ( 0.03, 0.00, 0.00) 248: strbnd ( -0.157, 0.213, -0.446) ( -0.157, 0.213, -0.446) ( 0.00, 0.00, 0.00) 248: torsion ( 0.563, -0.012, -0.282) ( 0.563, -0.012, -0.283) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.724, 0.200, 0.015) ( -0.724, 0.200, 0.015) ( 0.00, 0.00, 0.00) 248: electro ( -0.625, 0.154, -0.145) ( -0.625, 0.154, -0.145) ( 0.00, 0.00, 0.00) 248: 39 ( -0.005, -0.008, 0.012) ( -0.003, -0.007, 0.014) ( 0.00, 0.00, 0.00) 248: bond ( 0.863, 0.325, -0.866) ( 0.864, 0.325, -0.865) ( 0.15, 0.01, 0.15) 248: angle ( 0.432, -1.789, -0.241) ( 0.433, -1.789, -0.241) ( 0.01, 0.02, 0.01) 248: strbnd ( -0.148, -0.179, 0.111) ( -0.148, -0.179, 0.111) ( 0.00, 0.00, 0.00) 248: torsion ( 0.500, -0.248, 0.406) ( 0.500, -0.248, 0.406) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.310, 2.013, 0.436) ( -1.310, 2.013, 0.436) ( 0.00, 0.00, 0.00) 248: electro ( -0.342, -0.130, 0.167) ( -0.342, -0.130, 0.167) ( 0.00, 0.00, 0.00) 252: angle ( 1.189, -5.329, 2.958) ( 1.189, -5.328, 2.959) ( 0.03, 0.01, 0.01) 252: strbnd ( -0.047, -0.589, -0.422) ( -0.047, -0.589, -0.422) ( 0.00, 0.00, 0.00) 252: torsion ( 0.936, -0.735, 1.080) ( 0.936, -0.735, 1.080) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.110, 6.758, -3.296) ( -3.110, 6.758, -3.296) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 52 ( -0.101, -0.092, -0.176) ( -0.100, -0.090, -0.175) ( 0.01, 0.02, 0.01) 252: bond ( 1.134, -2.431, 0.852) ( 1.134, -2.428, 0.852) ( 0.05, 0.10, 0.03) 252: angle ( -3.696, -1.139, 1.674) ( -3.696, -1.138, 1.675) ( 0.01, 0.01, 0.03) 252: strbnd ( -1.209, 1.211, -0.450) ( -1.209, 1.211, -0.450) ( 0.00, 0.00, 0.00) 252: torsion ( -0.018, 0.060, 0.194) ( -0.018, 0.060, 0.194) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.689, 2.206, -2.447) ( 3.689, 2.206, -2.447) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 53 ( 0.304, -0.091, -0.474) ( 0.305, -0.090, -0.471) ( 0.04, 0.01, 0.12) 252: bond ( -0.341, -0.134, -0.569) ( -0.341, -0.134, -0.567) ( 0.03, 0.00, 0.14) 252: angle ( 0.912, -4.148, 0.434) ( 0.913, -4.147, 0.434) ( 0.03, 0.01, 0.01) 252: strbnd ( -0.362, -0.327, 0.331) ( -0.362, -0.327, 0.331) ( 0.00, 0.00, 0.00) 252: torsion ( 0.427, -0.471, -0.145) ( 0.427, -0.471, -0.145) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.333, 4.990, -0.524) ( -0.333, 4.990, -0.524) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 54 ( 0.047, 0.327, 0.213) ( 0.048, 0.328, 0.216) ( 0.00, 0.04, 0.06) 252: bond ( 0.044, 0.448, -1.022) ( 0.044, 0.449, -1.019) ( 0.00, 0.02, 0.28) 252: angle ( -5.073, 4.709, 1.855) ( -5.072, 4.710, 1.855) ( 0.01, 0.01, 0.00) 252: strbnd ( -0.688, -1.108, -0.508) ( -0.688, -1.108, -0.508) ( 0.00, 0.00, 0.00) 252: torsion ( 0.301, 0.513, 0.239) ( 0.301, 0.513, 0.239) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.463, -4.236, -0.352) ( 5.463, -4.236, -0.352) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 55 ( -0.139, -0.301, 0.325) ( -0.139, -0.299, 0.327) ( 0.01, 0.06, 0.06) 252: bond ( 0.004, -0.058, -0.057) ( 0.004, -0.056, -0.056) ( 0.00, 0.01, 0.01) 252: angle ( -0.993, 1.847, -1.929) ( -0.992, 1.847, -1.929) ( 0.07, 0.01, 0.01) 252: strbnd ( -0.720, -1.271, 0.377) ( -0.720, -1.271, 0.377) ( 0.00, 0.00, 0.00) 252: torsion ( 0.101, 0.125, -0.120) ( 0.101, 0.125, -0.120) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.469, -0.945, 2.055) ( 1.469, -0.944, 2.055) ( 0.01, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 56 ( -0.037, -0.300, -0.241) ( -0.036, -0.299, -0.238) ( 0.00, 0.04, 0.06) 252: bond ( 0.176, 1.777, -3.219) ( 0.177, 1.777, -3.216) ( 0.00, 0.04, 0.08) 252: angle ( -1.373, -1.962, -1.160) ( -1.373, -1.962, -1.159) ( 0.05, 0.02, 0.01) 252: strbnd ( -0.304, 0.067, 1.171) ( -0.304, 0.067, 1.171) ( 0.00, 0.00, 0.00) 252: torsion ( -1.378, 0.531, 0.218) ( -1.378, 0.532, 0.218) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.841, -0.714, 2.749) ( 2.842, -0.714, 2.749) ( 0.01, 0.00, 0.00) 248: 40 ( -0.029, -0.039, 0.034) ( -0.028, -0.036, 0.035) ( 0.00, 0.01, 0.00) 248: bond ( -0.592, -0.813, 0.455) ( -0.591, -0.811, 0.456) ( 0.06, 0.16, 0.03) 248: angle ( -0.349, 0.064, -0.339) ( -0.348, 0.064, -0.339) ( 0.01, 0.00, 0.02) 248: strbnd ( 0.254, 0.177, -0.194) ( 0.254, 0.177, -0.194) ( 0.00, 0.00, 0.00) 248: torsion ( -0.231, -0.135, -0.540) ( -0.231, -0.135, -0.540) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.504, 0.376, 0.413) ( 0.504, 0.376, 0.413) ( 0.00, 0.00, 0.00) 248: electro ( 0.385, 0.292, 0.238) ( 0.385, 0.292, 0.238) ( 0.00, 0.00, 0.00) 248: 41 ( 0.005, -0.012, 0.021) ( 0.005, -0.011, 0.024) ( 0.00, 0.00, 0.01) 248: bond ( -0.265, 0.213, -1.387) ( -0.265, 0.213, -1.384) ( 0.00, 0.00, 0.25) 248: angle ( -0.002, -0.794, -0.122) ( -0.001, -0.793, -0.122) ( 0.00, 0.04, 0.00) 248: strbnd ( 0.104, -0.149, 0.254) ( 0.104, -0.149, 0.254) ( 0.00, 0.00, 0.00) 248: torsion ( -0.534, -0.473, 0.029) ( -0.534, -0.473, 0.029) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.465, 1.537, 0.914) ( 0.465, 1.537, 0.914) ( 0.00, 0.00, 0.00) 248: electro ( 0.237, -0.346, 0.332) ( 0.237, -0.346, 0.332) ( 0.00, 0.00, 0.00) 248: 42 ( 0.013, 0.008, -0.041) ( 0.014, 0.009, -0.038) ( 0.00, 0.00, 0.01) 248: bond ( -1.424, -0.121, 4.422) ( -1.424, -0.120, 4.425) ( 0.03, 0.00, 0.07) 248: angle ( 0.750, -1.072, 0.212) ( 0.750, -1.071, 0.212) ( 0.02, 0.08, 0.00) 248: strbnd ( 0.500, -0.190, -1.471) ( 0.500, -0.190, -1.471) ( 0.00, 0.00, 0.00) 248: torsion ( -0.246, 0.662, -0.061) ( -0.246, 0.662, -0.061) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.074, 0.895, -1.822) ( -0.074, 0.895, -1.822) ( 0.00, 0.00, 0.00) 248: electro ( 0.507, -0.167, -1.321) ( 0.507, -0.167, -1.321) ( 0.00, 0.00, 0.00) 248: ok 24 # gradients 248: ok 25 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 250: strbnd ( 0.261, 0.641, 0.904) ( 0.261, 0.642, 0.904) ( 0.00, 0.00, 0.00) 250: torsion ( 1.156, -0.106, -0.183) ( 1.156, -0.106, -0.183) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.770, -0.362, -4.129) ( -5.770, -0.362, -4.129) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 63 ( -1.163, 0.855, -0.571) ( -1.161, 0.856, -0.570) ( 0.16, 0.08, 0.09) 250: bond ( -1.786, 1.024, 1.583) ( -1.785, 1.024, 1.584) ( 0.09, 0.05, 0.08) 250: angle ( 0.428, -0.094, 0.542) ( 0.428, -0.094, 0.543) ( 0.01, 0.00, 0.02) 250: strbnd ( 0.673, -0.673, 0.446) ( 0.673, -0.673, 0.446) ( 0.00, 0.00, 0.00) 250: torsion ( -0.227, -0.276, -0.077) ( -0.227, -0.276, -0.077) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.250, 0.874, -3.065) ( -0.250, 0.874, -3.065) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 64 ( 0.790, -0.989, 0.790) ( 0.793, -0.989, 0.791) ( 0.25, 0.06, 0.06) 250: bond ( 0.666, 0.107, -0.162) ( 0.670, 0.108, -0.162) ( 0.21, 0.00, 0.00) 250: angle ( -0.821, -2.989, -5.388) ( -0.821, -2.989, -5.387) ( 0.00, 0.02, 0.01) 250: strbnd ( -1.303, -0.763, -0.758) ( -1.303, -0.763, -0.758) ( 0.00, 0.00, 0.00) 250: torsion ( 0.159, -0.563, 0.283) ( 0.159, -0.563, 0.283) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.089, 3.218, 6.815) ( 2.089, 3.218, 6.815) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 65 ( 1.612, 1.583, -0.244) ( 1.613, 1.584, -0.242) ( 0.09, 0.07, 0.05) 250: bond ( -0.305, 0.226, -0.426) ( -0.304, 0.227, -0.424) ( 0.03, 0.01, 0.08) 250: angle ( 3.626, -2.262, -3.808) ( 3.626, -2.262, -3.808) ( 0.01, 0.02, 0.01) 250: strbnd ( 0.994, -1.017, -0.192) ( 0.994, -1.017, -0.192) ( 0.00, 0.00, 0.00) 250: torsion ( 0.256, 0.264, -0.043) ( 0.256, 0.264, -0.043) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.959, 4.372, 4.225) ( -2.958, 4.372, 4.225) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 66 ( -1.078, 0.552, -0.760) ( -1.078, 0.556, -0.759) ( 0.06, 0.19, 0.05) 250: bond ( 0.016, 0.113, 0.003) ( 0.016, 0.116, 0.003) ( 0.00, 0.04, 0.00) 250: angle ( 2.563, -0.264, -3.412) ( 2.563, -0.264, -3.411) ( 0.02, 0.00, 0.02) 250: strbnd ( 0.510, 0.950, -1.109) ( 0.510, 0.950, -1.109) ( 0.00, 0.00, 0.00) 250: torsion ( -0.450, 0.067, -0.151) ( -0.450, 0.067, -0.151) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.718, -0.314, 3.909) ( -3.717, -0.314, 3.909) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 67 ( 0.335, 0.250, 0.082) ( 0.336, 0.253, 0.082) ( 0.02, 0.08, 0.00) 250: bond ( 0.214, -2.095, 0.090) ( 0.214, -2.092, 0.090) ( 0.00, 0.16, 0.00) 250: angle ( 1.574, 0.246, 1.978) ( 1.575, 0.246, 1.979) ( 0.04, 0.00, 0.03) 250: strbnd ( -0.777, 1.004, 0.844) ( -0.777, 1.004, 0.844) ( 0.00, 0.00, 0.00) 250: torsion ( 0.181, -0.026, -1.050) ( 0.181, -0.026, -1.050) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.857, 1.121, -1.781) ( -0.857, 1.121, -1.781) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 57 ( 0.041, 0.148, -0.296) ( 0.041, 0.150, -0.294) ( 0.00, 0.03, 0.06) 252: bond ( -0.135, 2.007, 2.146) ( -0.135, 2.009, 2.147) ( 0.00, 0.08, 0.08) 252: angle ( 0.451, -0.692, 0.675) ( 0.452, -0.692, 0.675) ( 0.03, 0.02, 0.02) 252: strbnd ( -0.177, -0.030, -0.939) ( -0.177, -0.030, -0.939) ( 0.00, 0.00, 0.00) 252: torsion ( -1.075, -0.300, 0.213) ( -1.075, -0.300, 0.213) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.976, -0.838, -2.392) ( 0.976, -0.838, -2.392) ( 0.02, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 58 ( -0.254, 0.017, -0.064) ( -0.254, 0.019, -0.062) ( 0.02, 0.00, 0.02) 252: bond ( -0.040, -1.500, 1.928) ( -0.040, -1.499, 1.930) ( 0.00, 0.08, 0.11) 252: angle ( -1.136, 1.312, 0.995) ( -1.135, 1.312, 0.995) ( 0.05, 0.03, 0.02) 252: strbnd ( 0.280, -0.457, -0.574) ( 0.280, -0.457, -0.574) ( 0.00, 0.00, 0.00) 252: torsion ( 0.158, 0.214, 0.170) ( 0.158, 0.214, 0.170) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.484, 0.449, -2.583) ( 0.484, 0.449, -2.583) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 59 ( -0.039, 0.371, 0.524) ( -0.039, 0.373, 0.526) ( 0.00, 0.07, 0.11) 252: bond ( 0.250, 2.246, -2.453) ( 0.250, 2.247, -2.451) ( 0.00, 0.07, 0.07) 252: angle ( -0.227, 0.092, 0.062) ( -0.226, 0.092, 0.062) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.193, -0.135, 1.231) ( -0.193, -0.135, 1.231) ( 0.00, 0.00, 0.00) 252: torsion ( 0.564, 2.085, 1.969) ( 0.564, 2.085, 1.969) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.433, -3.917, -0.285) ( -0.433, -3.917, -0.285) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 60 ( -0.063, -0.072, 0.504) ( -0.062, -0.071, 0.506) ( 0.01, 0.01, 0.13) 252: bond ( 0.260, 1.745, 3.031) ( 0.260, 1.746, 3.033) ( 0.00, 0.05, 0.08) 252: angle ( 3.751, -1.603, 0.601) ( 3.752, -1.603, 0.601) ( 0.02, 0.02, 0.01) 252: strbnd ( -0.199, -0.015, -1.540) ( -0.199, -0.015, -1.540) ( 0.00, 0.00, 0.00) 252: torsion ( -1.382, 1.853, -0.948) ( -1.382, 1.853, -0.948) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.493, -2.052, -0.640) ( -2.493, -2.052, -0.640) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 61 ( -0.281, 0.189, -0.034) ( -0.280, 0.192, -0.033) ( 0.02, 0.06, 0.00) 252: bond ( 0.133, -2.004, 0.580) ( 0.133, -2.001, 0.581) ( 0.00, 0.15, 0.02) 252: angle ( 0.076, -0.444, -1.547) ( 0.077, -0.444, -1.546) ( 0.00, 0.00, 0.04) 252: strbnd ( -0.121, -0.013, 0.295) ( -0.121, -0.013, 0.295) ( 0.00, 0.00, 0.00) 252: torsion ( 0.940, 0.033, -0.103) ( 0.940, 0.033, -0.103) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.309, 2.616, 0.740) ( -1.309, 2.616, 0.740) ( 0.01, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 62 ( -0.037, 0.359, 0.037) ( -0.037, 0.362, 0.038) ( 0.00, 0.10, 0.00) 252: bond ( -0.580, 1.889, -0.905) ( -0.580, 1.891, -0.905) ( 0.01, 0.13, 0.05) 252: angle ( -0.273, 0.763, 1.769) ( -0.273, 0.763, 1.769) ( 0.01, 0.01, 0.02) 250: 68 ( 0.121, 0.190, 0.044) ( 0.122, 0.191, 0.047) ( 0.01, 0.02, 0.01) 250: bond ( -0.946, 0.945, 2.916) ( -0.946, 0.945, 2.919) ( 0.03, 0.03, 0.09) 250: angle ( 2.086, -0.263, 0.761) ( 2.086, -0.263, 0.761) ( 0.03, 0.01, 0.01) 250: strbnd ( 0.013, -1.433, -0.930) ( 0.013, -1.433, -0.930) ( 0.00, 0.00, 0.00) 250: torsion ( 0.192, -1.114, 0.423) ( 0.192, -1.114, 0.423) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.224, 2.055, -3.126) ( -1.224, 2.055, -3.126) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 69 ( 0.670, 0.306, 0.584) ( 0.671, 0.308, 0.587) ( 0.08, 0.04, 0.14) 250: bond ( -0.089, 0.102, 0.156) ( -0.088, 0.103, 0.158) ( 0.01, 0.01, 0.03) 250: angle ( 0.439, -2.980, 2.180) ( 0.440, -2.979, 2.180) ( 0.02, 0.02, 0.01) 250: strbnd ( 0.329, 0.312, 1.723) ( 0.329, 0.312, 1.723) ( 0.00, 0.00, 0.00) 250: torsion ( 0.972, -0.601, 0.932) ( 0.972, -0.601, 0.933) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.982, 3.473, -4.407) ( -0.982, 3.473, -4.407) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 70 ( 0.106, 0.582, 0.566) ( 0.107, 0.583, 0.568) ( 0.02, 0.04, 0.13) 250: bond ( 1.818, -0.560, 2.482) ( 1.819, -0.560, 2.484) ( 0.06, 0.01, 0.08) 250: angle ( -0.401, -1.568, -0.060) ( -0.400, -1.567, -0.060) ( 0.01, 0.04, 0.00) 250: strbnd ( -0.251, -0.339, -2.165) ( -0.251, -0.339, -2.165) ( 0.00, 0.00, 0.00) 250: torsion ( -1.175, 0.745, 1.028) ( -1.175, 0.745, 1.028) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.115, 2.304, -0.719) ( 0.115, 2.304, -0.719) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 71 ( 0.738, 0.197, 0.250) ( 0.741, 0.198, 0.251) ( 0.20, 0.02, 0.02) 250: bond ( 1.848, 0.749, -0.682) ( 1.850, 0.749, -0.682) ( 0.14, 0.03, 0.02) 250: angle ( -0.676, -2.968, -5.094) ( -0.676, -2.967, -5.094) ( 0.01, 0.02, 0.01) 250: strbnd ( -1.187, -1.166, -0.503) ( -1.187, -1.166, -0.503) ( 0.00, 0.00, 0.00) 250: torsion ( 0.213, -0.324, 0.223) ( 0.213, -0.324, 0.223) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.541, 3.906, 6.307) ( 0.541, 3.906, 6.307) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 72 ( 0.699, 1.329, -0.078) ( 0.701, 1.330, -0.076) ( 0.13, 0.05, 0.02) 250: bond ( -0.821, 0.235, -0.916) ( -0.820, 0.235, -0.914) ( 0.12, 0.00, 0.17) 250: angle ( 3.757, -0.301, -3.447) ( 3.757, -0.301, -3.447) ( 0.01, 0.01, 0.01) 250: strbnd ( 1.187, -0.802, -0.115) ( 1.187, -0.802, -0.115) ( 0.00, 0.00, 0.00) 250: torsion ( -0.090, -0.149, 0.042) ( -0.090, -0.149, 0.042) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.334, 2.346, 4.357) ( -3.333, 2.346, 4.357) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 73 ( -0.259, 0.501, -0.385) ( -0.258, 0.505, -0.385) ( 0.01, 0.17, 0.02) 250: bond ( -0.024, 0.218, -0.017) ( -0.024, 0.221, -0.017) ( 0.00, 0.07, 0.00) 250: angle ( 2.747, 0.023, -3.607) ( 2.748, 0.023, -3.606) ( 0.02, 0.00, 0.02) 250: strbnd ( 0.214, 0.580, -1.173) ( 0.214, 0.580, -1.173) ( 0.00, 0.00, 0.00) 250: torsion ( -0.122, -0.015, -0.032) ( -0.122, -0.015, -0.032) ( 0.00, 0.00, 0.00) 248: 1 ( 0.094, -0.054, 0.252) ( 0.101, -0.049, 0.257) ( 0.07, 0.03, 0.12) 248: bond ( 0.405, 3.441, 0.242) ( 0.412, 3.445, 0.242) ( 0.28, 0.13, 0.00) 248: angle ( -0.409, 0.650, -0.195) ( -0.408, 0.652, -0.195) ( 0.06, 0.11, 0.00) 248: strbnd ( -0.322, -4.041, -0.254) ( -0.322, -4.042, -0.254) ( 0.01, 0.03, 0.00) 248: torsion ( -0.032, -0.018, 0.320) ( -0.032, -0.018, 0.321) ( 0.00, 0.00, 0.03) 248: oop ( 0.002, 0.001, -0.014) ( 0.001, 0.001, -0.011) ( 0.00, 0.00, 0.01) 248: vdw ( -0.047, -0.020, -0.019) ( -0.047, -0.020, -0.019) ( 0.00, 0.00, 0.00) 248: electro ( 0.497, -0.068, 0.172) ( 0.497, -0.068, 0.172) ( 0.00, 0.00, 0.00) 248: 2 ( -0.202, -0.384, 0.053) ( -0.198, -0.377, 0.070) ( 0.09, 0.28, 0.09) 248: bond ( 3.541, -2.137, 0.264) ( 3.546, -2.131, 0.265) ( 0.15, 0.30, 0.00) 248: angle ( 1.746, 1.275, 0.298) ( 1.748, 1.277, 0.298) ( 0.10, 0.14, 0.00) 248: strbnd ( -2.090, 1.285, -0.146) ( -2.091, 1.285, -0.146) ( 0.05, 0.01, 0.00) 248: torsion ( 0.033, 0.016, -0.297) ( 0.034, 0.016, -0.296) ( 0.00, 0.00, 0.04) 248: oop ( 0.010, 0.005, -0.088) ( 0.009, 0.004, -0.072) ( 0.00, 0.00, 0.14) 248: vdw ( -3.041, -0.539, -0.132) ( -3.041, -0.539, -0.132) ( 0.00, 0.00, 0.00) 248: electro ( -0.403, -0.288, 0.154) ( -0.403, -0.288, 0.154) ( 0.00, 0.00, 0.00) 248: 3 ( -0.110, 0.062, 0.058) ( -0.093, 0.078, -0.064) ( 0.18, 0.10, 0.70) 248: bond ( 10.808, 8.532, 1.851) ( 10.812, 8.538, 1.851) ( 0.04, 0.07, 0.01) 248: angle ( -1.280, -12.576, -1.628) ( -1.278, -12.574, -1.628) ( 0.16, 0.02, 0.03) 248: strbnd ( -2.662, -2.231, -0.989) ( -2.662, -2.232, -0.989) ( 0.02, 0.03, 0.01) 248: torsion ( -0.153, 0.061, 1.120) ( -0.153, 0.061, 1.121) ( 0.00, 0.00, 0.09) 248: oop ( -0.073, -0.051, 0.782) ( -0.062, -0.043, 0.659) ( 0.08, 0.04, 9.60) 248: vdw ( -8.513, 7.070, -1.049) ( -8.513, 7.070, -1.049) ( 0.00, 0.00, 0.00) 248: electro ( 1.764, -0.743, -0.030) ( 1.764, -0.743, -0.030) ( 0.00, 0.00, 0.00) 248: 4 ( -0.088, -0.102, -0.382) ( -0.110, -0.122, -0.055) ( 0.20, 0.20, 12.48) 248: bond ( 20.270, -4.350, 1.475) ( 20.275, -4.343, 1.476) ( 0.02, 0.15, 0.01) 248: angle ( 12.458, 12.739, 3.115) ( 12.460, 12.741, 3.115) ( 0.02, 0.01, 0.01) 248: strbnd (-17.883, -3.513, -1.809) (-17.884, -3.514, -1.809) ( 0.01, 0.03, 0.00) 248: torsion ( 0.036, 0.065, -1.684) ( 0.036, 0.065, -1.683) ( 0.00, 0.00, 0.04) 248: oop ( 0.171, 0.149, -1.871) ( 0.143, 0.122, -1.545) ( 0.48, 0.40, 17.39) 248: vdw (-12.241, -4.949, 0.142) (-12.241, -4.949, 0.142) ( 0.00, 0.00, 0.00) 248: electro ( -2.899, -0.244, 0.249) ( -2.899, -0.244, 0.249) ( 0.00, 0.00, 0.00) 248: 5 ( -0.068, -0.017, -0.125) ( -0.065, -0.011, -0.110) ( 0.02, 0.01, 0.19) 248: bond ( 1.518, -21.327, -9.249) ( 1.522, -21.323, -9.244) ( 0.25, 0.02, 0.05) 248: angle ( -8.489, 14.472, 7.087) ( -8.487, 14.475, 7.088) ( 0.02, 0.02, 0.02) 248: strbnd ( 11.557, 1.653, 2.302) ( 11.556, 1.652, 2.302) ( 0.01, 0.05, 0.02) 248: torsion ( -0.182, 0.061, -1.411) ( -0.182, 0.061, -1.410) ( 0.00, 0.00, 0.02) 248: oop ( 0.005, 0.003, -0.040) ( 0.004, 0.002, -0.031) ( 0.00, 0.00, 0.04) 248: vdw ( -7.969, 3.574, 1.404) ( -7.968, 3.574, 1.404) ( 0.00, 0.00, 0.00) 248: electro ( 3.491, 1.548, -0.219) ( 3.491, 1.548, -0.219) ( 0.00, 0.00, 0.00) 248: 6 ( 0.024, -0.167, 0.098) ( 0.036, -0.156, 0.018) ( 0.03, 0.18, 0.79) 248: bond ( -9.999, -4.566, -1.383) ( -9.996, -4.563, -1.383) ( 0.03, 0.06, 0.00) 248: angle ( 0.723, -4.226, -0.076) ( 0.723, -4.225, -0.077) ( 0.04, 0.03, 0.00) 248: strbnd ( 12.551, 6.889, 1.807) ( 12.551, 6.889, 1.807) ( 0.00, 0.01, 0.00) 29: 134 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.075, -0.304, 4.442) ( -3.075, -0.304, 4.443) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 74 ( 0.198, 2.184, -1.550) ( 0.200, 2.185, -1.547) ( 0.04, 0.04, 0.23) 250: bond ( -0.028, -0.019, -0.043) ( -0.027, -0.018, -0.040) ( 0.00, 0.00, 0.01) 250: angle ( 2.217, 0.907, -1.911) ( 2.217, 0.907, -1.911) ( 0.01, 0.00, 0.01) 250: strbnd ( 0.644, 0.343, 0.113) ( 0.644, 0.343, 0.113) ( 0.01, 0.00, 0.00) 250: torsion ( -0.820, 1.602, -0.191) ( -0.820, 1.602, -0.191) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.896, -0.668, 0.650) ( -1.896, -0.668, 0.650) ( 0.00, 0.00, 0.00) 250: electro ( 0.081, 0.018, -0.168) ( 0.081, 0.018, -0.168) ( 0.00, 0.00, 0.00) 250: ok 22 # gradients 250: ok 23 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 252: strbnd ( -0.325, 0.488, 0.279) ( -0.325, 0.488, 0.279) ( 0.00, 0.00, 0.00) 252: torsion ( 1.294, 0.792, 0.827) ( 1.294, 0.792, 0.827) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.153, -3.573, -1.933) ( -0.153, -3.573, -1.933) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 63 ( -0.297, 0.195, 0.097) ( -0.296, 0.196, 0.100) ( 0.03, 0.01, 0.03) 252: bond ( 0.610, 0.315, 1.633) ( 0.610, 0.315, 1.636) ( 0.02, 0.00, 0.18) 252: angle ( -1.418, 1.386, 0.261) ( -1.418, 1.387, 0.261) ( 0.03, 0.03, 0.00) 252: strbnd ( -0.282, 0.382, 0.365) ( -0.282, 0.382, 0.365) ( 0.00, 0.00, 0.00) 252: torsion ( 0.426, 0.990, -0.350) ( 0.426, 0.990, -0.350) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.367, -2.878, -1.812) ( 0.367, -2.878, -1.812) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 64 ( 1.903, 0.126, -0.903) ( 1.903, 0.131, -0.902) ( 0.00, 0.07, 0.08) 252: bond ( 0.052, 0.524, -0.141) ( 0.052, 0.529, -0.141) ( 0.00, 0.27, 0.01) 252: angle ( 0.150, -0.836, -3.088) ( 0.150, -0.836, -3.088) ( 0.00, 0.00, 0.02) 252: strbnd ( -0.049, -0.575, 0.050) ( -0.049, -0.575, 0.050) ( 0.00, 0.00, 0.00) 252: torsion ( 0.430, -0.034, 0.030) ( 0.430, -0.034, 0.030) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.052, 1.173, 1.899) ( 0.052, 1.173, 1.900) ( 0.00, 0.00, 0.00) 252: electro ( 1.267, -0.125, 0.347) ( 1.267, -0.125, 0.347) ( 0.00, 0.00, 0.00) 252: 65 (-13.463, -0.711, 6.828) (-13.458, -0.711, 6.829) ( 0.04, 0.02, 0.01) 252: bond (-17.085, -2.760, 0.383) (-17.080, -2.760, 0.384) ( 0.03, 0.01, 0.00) 252: angle ( 0.082, -0.169, 2.424) ( 0.082, -0.169, 2.425) ( 0.00, 0.00, 0.02) 252: strbnd ( 0.390, 0.135, -0.958) ( 0.390, 0.135, -0.958) ( 0.00, 0.00, 0.00) 252: torsion ( -0.084, 0.524, 0.039) ( -0.084, 0.524, 0.039) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.216, 1.133, 7.265) ( -1.216, 1.133, 7.265) ( 0.00, 0.00, 0.00) 252: electro ( 4.450, 0.427, -2.326) ( 4.450, 0.427, -2.326) ( 0.00, 0.00, 0.00) 252: ok 14 # gradients 252: ok 15 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 248: torsion ( 0.080, 0.020, -0.668) ( 0.080, 0.020, -0.667) ( 0.00, 0.00, 0.01) 248: oop ( -0.057, -0.045, 0.532) ( -0.048, -0.038, 0.452) ( 0.05, 0.03, 4.28) 248: vdw ( -3.283, 1.455, -0.244) ( -3.283, 1.455, -0.244) ( 0.00, 0.00, 0.00) 248: electro ( 0.009, 0.307, 0.130) ( 0.009, 0.307, 0.130) ( 0.00, 0.00, 0.00) 248: 7 ( -0.002, 0.041, -0.083) ( 0.003, 0.047, -0.081) ( 0.00, 0.02, 0.02) 248: bond ( 10.203, 5.616, 25.277) ( 10.207, 5.620, 25.278) ( 0.04, 0.07, 0.00) 248: angle (-14.427, 4.571, -29.699) (-14.425, 4.572, -29.697) ( 0.01, 0.03, 0.01) 248: strbnd ( 1.147, -1.228, -0.703) ( 1.146, -1.229, -0.703) ( 0.05, 0.04, 0.03) 248: torsion ( 1.193, -0.605, -0.282) ( 1.193, -0.605, -0.282) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 5.912, 0.367, 4.636) ( 5.912, 0.367, 4.636) ( 0.00, 0.00, 0.00) 248: electro ( -4.030, -8.679, 0.687) ( -4.030, -8.679, 0.687) ( 0.00, 0.00, 0.00) 248: 8 ( -0.124, -0.019, -0.296) ( -0.123, -0.017, -0.295) ( 0.01, 0.01, 0.03) 248: bond ( -0.019, -0.836, 0.410) ( -0.019, -0.833, 0.411) ( 0.00, 0.23, 0.03) 248: angle ( 4.770, -0.609, -1.012) ( 4.771, -0.609, -1.012) ( 0.01, 0.01, 0.04) 248: strbnd ( 0.249, 0.128, -1.740) ( 0.249, 0.128, -1.740) ( 0.00, 0.00, 0.00) 248: torsion ( -0.173, -0.083, -0.176) ( -0.173, -0.083, -0.176) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.951, 1.380, 2.222) ( -4.951, 1.380, 2.222) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 9 ( -0.069, 0.131, -0.224) ( -0.068, 0.132, -0.221) ( 0.01, 0.01, 0.07) 248: bond ( -0.548, -0.489, -3.470) ( -0.548, -0.489, -3.467) ( 0.01, 0.00, 0.09) 248: angle ( 2.634, -1.083, -0.264) ( 2.635, -1.082, -0.264) ( 0.02, 0.05, 0.00) 248: strbnd ( 0.419, -1.396, 0.765) ( 0.419, -1.396, 0.765) ( 0.00, 0.00, 0.00) 248: torsion ( -0.167, -0.223, 0.058) ( -0.167, -0.223, 0.058) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.406, 3.323, 2.687) ( -2.406, 3.323, 2.687) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 10 ( -0.074, -0.055, -0.182) ( -0.069, -0.050, -0.177) ( 0.04, 0.03, 0.10) 248: bond (-15.381, 12.089, -12.058) (-15.377, 12.093, -12.053) ( 0.02, 0.04, 0.04) 248: angle ( 8.484, -11.406, 11.903) ( 8.487, -11.404, 11.904) ( 0.03, 0.02, 0.01) 248: strbnd ( 4.060, 9.673, 0.443) ( 4.059, 9.672, 0.443) ( 0.02, 0.01, 0.02) 248: torsion ( 1.330, -0.770, -1.490) ( 1.330, -0.769, -1.490) ( 0.01, 0.00, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.699, -11.336, 1.328) ( 1.699, -11.336, 1.328) ( 0.01, 0.00, 0.00) 248: electro ( -0.266, 1.694, -0.308) ( -0.266, 1.694, -0.308) ( 0.00, 0.00, 0.00) 248: 11 ( 0.037, -0.007, -0.105) ( 0.053, 0.011, -0.240) ( 0.06, 0.01, 1.41) 248: bond ( 9.639, 15.878, 4.037) ( 9.642, 15.883, 4.041) ( 0.04, 0.03, 0.11) 248: angle ( -9.172, -2.161, -6.458) ( -9.170, -2.158, -6.456) ( 0.02, 0.11, 0.02) 248: strbnd ( 1.149, -6.264, -0.982) ( 1.147, -6.265, -0.982) ( 0.10, 0.02, 0.04) 248: torsion ( -0.350, -0.442, 3.225) ( -0.350, -0.442, 3.225) ( 0.00, 0.00, 0.00) 248: oop ( -0.054, -0.059, 0.659) ( -0.042, -0.046, 0.518) ( 0.06, 0.07, 9.28) 248: vdw ( -0.242, -4.058, -0.450) ( -0.242, -4.058, -0.450) ( 0.00, 0.00, 0.00) 248: electro ( -0.932, -2.902, -0.135) ( -0.932, -2.902, -0.135) ( 0.00, 0.00, 0.00) 248: 12 ( 0.007, 0.058, -0.013) ( 0.009, 0.059, -0.013) ( 0.00, 0.01, 0.00) 250: 1 ( -0.188, -0.096, -0.051) ( -0.199, -0.052, -0.005) ( 0.20, 0.42, 0.24) 250: bond ( 6.718, 6.276, -0.511) ( 6.723, 6.283, -0.510) ( 0.07, 0.11, 0.05) 250: angle ( 7.350, 2.161, 1.524) ( 7.352, 2.163, 1.524) ( 0.02, 0.08, 0.00) 250: strbnd ( -5.562, -3.003, -0.620) ( -5.562, -3.004, -0.620) ( 0.00, 0.02, 0.00) 250: torsion ( 0.209, -0.213, -0.135) ( 0.209, -0.213, -0.134) ( 0.00, 0.00, 0.01) 250: oop ( 0.102, -0.210, -0.295) ( 0.085, -0.175, -0.250) ( 0.17, 0.74, 1.31) 250: vdw ( -9.274, -5.085, -0.061) ( -9.274, -5.085, -0.061) ( 0.00, 0.00, 0.00) 250: electro ( 0.268, -0.021, 0.047) ( 0.268, -0.021, 0.047) ( 0.00, 0.00, 0.00) 250: 2 ( -0.463, 0.409, 1.503) ( -0.406, 0.355, 1.294) ( 2.62, 2.22, 13.86) 250: bond ( 5.859, -4.939, 3.180) ( 5.864, -4.931, 3.182) ( 0.09, 0.16, 0.04) 250: angle ( -5.582, 0.865, -2.937) ( -5.580, 0.867, -2.937) ( 0.03, 0.13, 0.01) 250: strbnd ( 3.439, -2.665, 1.582) ( 3.438, -2.666, 1.582) ( 0.02, 0.03, 0.00) 250: torsion ( -0.645, 0.747, 3.059) ( -0.645, 0.747, 3.060) ( 0.01, 0.01, 0.04) 250: oop ( -0.337, 0.427, 1.409) ( -0.287, 0.364, 1.198) ( 1.69, 2.70, 14.97) 250: vdw ( -3.802, 4.778, -4.508) ( -3.801, 4.778, -4.508) ( 0.01, 0.00, 0.00) 250: electro ( 0.606, 1.196, -0.282) ( 0.606, 1.196, -0.282) ( 0.00, 0.00, 0.00) 250: 3 ( 0.200, -0.018, -0.182) ( 0.192, -0.006, -0.027) ( 0.16, 0.02, 2.83) 250: bond ( 8.537, 8.504, 0.695) ( 8.543, 8.515, 0.695) ( 0.06, 0.14, 0.00) 250: angle (-28.587, -3.313, -5.216) (-28.584, -3.311, -5.216) ( 0.01, 0.05, 0.00) 250: strbnd ( 13.895, 1.569, 1.674) ( 13.894, 1.567, 1.674) ( 0.01, 0.12, 0.00) 250: torsion ( -0.070, 0.291, -0.883) ( -0.070, 0.291, -0.883) ( 0.00, 0.00, 0.04) 250: oop ( 0.085, -0.003, -0.855) ( 0.070, -0.003, -0.700) ( 0.13, 0.00, 13.23) 250: vdw ( -3.152, -1.167, -0.567) ( -3.152, -1.167, -0.567) ( 0.00, 0.00, 0.00) 250: electro ( 9.492, -5.898, 4.971) ( 9.492, -5.898, 4.971) ( 0.00, 0.00, 0.00) 250: 4 ( 0.068, 0.192, 0.159) ( 0.107, 0.130, -0.008) ( 0.27, 1.19, 2.64) 250: bond ( 5.784, 6.960, -1.839) ( 5.788, 6.969, -1.837) ( 0.07, 0.13, 0.11) 250: angle ( 0.982, -10.064, 4.762) ( 0.983, -10.062, 4.762) ( 0.17, 0.02, 0.00) 250: strbnd ( 2.113, 6.313, -2.390) ( 2.113, 6.312, -2.391) ( 0.01, 0.02, 0.01) 250: torsion ( 0.211, -0.053, -0.431) ( 0.211, -0.052, -0.430) ( 0.00, 0.00, 0.02) 250: oop ( -0.201, 0.426, 1.012) ( -0.167, 0.355, 0.843) ( 0.68, 3.05, 16.69) 250: vdw ( -0.575, -5.329, 2.147) ( -0.575, -5.329, 2.147) ( 0.00, 0.00, 0.00) 250: electro ( -8.246, 1.938, -3.102) ( -8.246, 1.938, -3.102) ( 0.00, 0.00, 0.00) 250: 5 ( -0.011, -0.146, -0.052) ( -0.021, -0.112, 0.008) ( 0.01, 0.49, 0.32) 250: bond ( 0.169, 6.053, -2.652) ( 0.169, 6.060, -2.651) ( 0.00, 0.13, 0.06) 250: angle ( -0.570, -0.029, -0.102) ( -0.569, -0.029, -0.102) ( 0.04, 0.00, 0.00) 250: strbnd ( -0.449, -0.737, 0.244) ( -0.449, -0.737, 0.244) ( 0.00, 0.00, 0.00) 250: torsion ( 0.351, -0.798, -1.802) ( 0.351, -0.798, -1.802) ( 0.00, 0.00, 0.00) 250: oop ( 0.063, -0.144, -0.325) ( 0.052, -0.118, -0.265) ( 0.07, 0.38, 1.92) 250: vdw ( -5.042, -4.784, 2.331) ( -5.041, -4.784, 2.331) ( 0.00, 0.00, 0.00) 250: electro ( 5.466, 0.293, 2.253) ( 5.466, 0.293, 2.253) ( 0.00, 0.00, 0.00) 250: 6 ( 0.048, -0.085, -0.062) ( 0.044, -0.054, 0.004) ( 0.02, 0.27, 0.41) 250: bond ( -0.057, 4.697, -1.723) ( -0.052, 4.701, -1.723) ( 0.03, 0.10, 0.04) 250: angle ( 6.722, 9.815, -3.104) ( 6.724, 9.816, -3.104) ( 0.03, 0.02, 0.00) 250: strbnd ( -8.096, -2.087, -0.459) ( -8.096, -2.087, -0.459) ( 0.00, 0.00, 0.00) 252: 1 ( -1.742, 28.428, 11.907) ( -1.764, 28.344, 12.060) ( 1.23, 0.30, 1.28) 252: bond (-17.707, 8.335, 2.191) (-17.700, 8.340, 2.193) ( 0.04, 0.06, 0.09) 252: angle ( 17.323, 25.618, 18.944) ( 17.325, 25.620, 18.945) ( 0.01, 0.01, 0.00) 252: strbnd ( -1.493, -7.945, -5.133) ( -1.494, -7.946, -5.134) ( 0.06, 0.01, 0.00) 252: torsion ( 0.601, 2.014, -3.362) ( 0.601, 2.014, -3.362) ( 0.00, 0.01, 0.02) 252: oop ( 0.117, 0.376, -0.635) ( 0.088, 0.286, -0.485) ( 0.35, 3.38, 9.52) 252: vdw ( -0.601, -0.190, -0.199) ( -0.601, -0.190, -0.199) ( 0.00, 0.00, 0.00) 252: electro ( 0.018, 0.220, 0.101) ( 0.018, 0.220, 0.101) ( 0.00, 0.00, 0.00) 252: 2 (-43.349, -2.957, -5.099) (-43.316, -2.878, -5.218) ( 0.08, 2.69, 2.34) 252: bond (-26.717, -2.707, -7.585) (-26.711, -2.702, -7.583) ( 0.02, 0.19, 0.02) 252: angle (-14.462, -4.144, -5.035) (-14.460, -4.143, -5.035) ( 0.01, 0.04, 0.01) 252: strbnd ( 0.308, 7.811, 4.693) ( 0.308, 7.811, 4.693) ( 0.01, 0.01, 0.01) 252: torsion ( -0.735, -2.026, 3.413) ( -0.735, -2.026, 3.414) ( 0.00, 0.02, 0.03) 252: oop ( -0.154, -0.448, 0.744) ( -0.128, -0.375, 0.621) ( 0.40, 3.28, 9.11) 252: vdw ( -1.663, -1.307, -1.215) ( -1.663, -1.307, -1.215) ( 0.00, 0.00, 0.00) 252: electro ( 0.073, -0.137, -0.114) ( 0.073, -0.137, -0.114) ( 0.00, 0.00, 0.00) 252: 3 ( 26.528, 25.489, 14.637) ( 26.499, 25.389, 14.815) ( 0.11, 0.39, 1.22) 252: bond ( 32.244, 7.181, 11.384) ( 32.249, 7.186, 11.386) ( 0.02, 0.06, 0.02) 252: angle ( -9.397, 6.895, 4.311) ( -9.395, 6.897, 4.311) ( 0.02, 0.02, 0.02) 252: strbnd ( 5.047, 6.760, 5.135) ( 5.046, 6.759, 5.135) ( 0.01, 0.01, 0.00) 252: torsion ( 1.173, 3.527, -5.707) ( 1.173, 3.527, -5.706) ( 0.00, 0.01, 0.01) 252: oop ( 0.194, 0.561, -0.910) ( 0.158, 0.454, -0.735) ( 0.69, 5.96, 15.93) 252: vdw ( -2.822, 0.795, 0.719) ( -2.822, 0.795, 0.719) ( 0.00, 0.00, 0.00) 252: electro ( 0.089, -0.229, -0.294) ( 0.089, -0.229, -0.294) ( 0.00, 0.00, 0.00) 252: 4 ( 30.352, 2.828, 6.301) ( 30.363, 2.860, 6.551) ( 0.04, 1.11, 3.98) 252: bond ( 44.923, 3.054, 10.850) ( 44.929, 3.058, 10.852) ( 0.01, 0.15, 0.02) 252: angle (-11.137, 3.853, 1.631) (-11.135, 3.855, 1.632) ( 0.02, 0.05, 0.04) 252: strbnd ( -0.803, -4.122, -2.305) ( -0.804, -4.123, -2.306) ( 0.08, 0.01, 0.01) 252: torsion ( -0.049, -0.229, -1.535) ( -0.049, -0.229, -1.535) ( 0.00, 0.01, 0.05) 252: oop ( -0.023, -0.118, -0.821) ( -0.020, -0.093, -0.574) ( 0.01, 0.29, 20.32) 252: vdw ( -2.511, 0.309, -1.489) ( -2.511, 0.309, -1.489) ( 0.00, 0.00, 0.00) 252: electro ( -0.048, 0.082, -0.029) ( -0.048, 0.082, -0.029) ( 0.00, 0.00, 0.00) 252: 5 ( -7.959, -75.966, -41.392) ( -7.969, -76.008, -41.306) ( 0.13, 0.05, 0.21) 252: bond ( 8.045, -42.089, -24.804) ( 8.052, -42.083, -24.802) ( 0.09, 0.01, 0.01) 252: angle (-16.828, -30.092, -21.409) (-16.826, -30.090, -21.409) ( 0.01, 0.01, 0.00) 252: strbnd ( 5.512, -1.560, 0.571) ( 5.511, -1.560, 0.570) ( 0.02, 0.01, 0.01) 252: torsion ( -1.167, -3.866, 6.122) ( -1.167, -3.866, 6.123) ( 0.00, 0.01, 0.01) 252: oop ( 0.067, 0.201, -0.328) ( 0.049, 0.152, -0.246) ( 0.12, 0.98, 2.70) 252: vdw ( -3.591, 1.489, -1.515) ( -3.591, 1.489, -1.515) ( 0.00, 0.00, 0.00) 252: electro ( 0.003, -0.050, -0.029) ( 0.003, -0.050, -0.029) ( 0.00, 0.00, 0.00) 252: 6 (-30.275, -4.989, 10.254) (-30.271, -4.995, 9.731) ( 0.01, 0.12, 5.10) 252: bond (-46.066, -5.896, 0.687) (-46.059, -5.889, 0.688) ( 0.01, 0.11, 0.01) 252: angle ( 11.582, -5.904, 1.352) ( 11.584, -5.902, 1.352) ( 0.02, 0.04, 0.01) 252: strbnd ( 1.321, 5.298, 0.111) ( 1.319, 5.297, 0.111) ( 0.08, 0.01, 0.00) 248: bond ( -1.070, 0.929, 0.454) ( -1.069, 0.931, 0.454) ( 0.16, 0.12, 0.01) 248: angle ( 4.468, 5.608, -0.977) ( 4.468, 5.608, -0.977) ( 0.01, 0.01, 0.05) 248: strbnd ( 0.788, -0.295, -1.704) ( 0.788, -0.295, -1.704) ( 0.00, 0.00, 0.00) 248: torsion ( -0.551, -1.028, 0.811) ( -0.551, -1.028, 0.811) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.628, -5.157, 1.404) ( -3.628, -5.157, 1.404) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 ( -0.120, 0.039, -0.037) ( -0.119, 0.040, -0.033) ( 0.01, 0.00, 0.01) 248: bond ( -0.328, -0.292, -3.901) ( -0.328, -0.292, -3.897) ( 0.00, 0.00, 0.08) 248: angle ( -0.446, 1.585, -0.081) ( -0.446, 1.585, -0.081) ( 0.02, 0.04, 0.00) 248: strbnd ( -0.722, 1.212, 0.784) ( -0.722, 1.212, 0.784) ( 0.00, 0.00, 0.00) 248: torsion ( -0.435, 1.492, -0.075) ( -0.435, 1.492, -0.075) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.812, -3.957, 3.236) ( 1.812, -3.957, 3.236) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 14 ( 0.067, 0.147, -0.288) ( 0.068, 0.148, -0.285) ( 0.00, 0.01, 0.08) 248: bond ( -0.175, 1.062, 2.357) ( -0.175, 1.063, 2.360) ( 0.00, 0.05, 0.12) 248: angle ( -0.080, -0.961, 0.427) ( -0.080, -0.961, 0.427) ( 0.00, 0.04, 0.00) 248: strbnd ( 0.554, 0.475, -1.094) ( 0.554, 0.475, -1.094) ( 0.00, 0.00, 0.00) 248: torsion ( -0.550, 1.444, -0.691) ( -0.550, 1.444, -0.691) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.318, -1.873, -1.287) ( 0.318, -1.873, -1.287) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 15 ( 0.046, -0.135, -0.333) ( 0.047, -0.133, -0.331) ( 0.00, 0.03, 0.06) 248: bond ( 0.373, 1.480, -1.330) ( 0.373, 1.482, -1.328) ( 0.00, 0.12, 0.11) 248: angle ( -2.004, 0.579, 0.084) ( -2.004, 0.580, 0.085) ( 0.03, 0.01, 0.00) 248: strbnd ( 0.258, 0.339, 0.948) ( 0.258, 0.339, 0.948) ( 0.00, 0.00, 0.00) 248: torsion ( 0.462, -0.620, -0.562) ( 0.462, -0.620, -0.562) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.958, -1.914, 0.528) ( 0.958, -1.914, 0.528) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 16 ( -0.222, -0.176, 0.346) ( -0.217, -0.175, 0.343) ( 0.09, 0.02, 0.10) 248: bond ( 0.758, -0.200, 0.086) ( 0.762, -0.200, 0.086) ( 0.28, 0.01, 0.00) 248: angle ( 0.078, 0.315, 0.044) ( 0.078, 0.315, 0.044) ( 0.00, 0.02, 0.00) 248: strbnd ( -0.224, 0.410, -0.006) ( -0.224, 0.410, -0.006) ( 0.00, 0.00, 0.00) 248: torsion ( -0.053, -0.023, 0.416) ( -0.053, -0.023, 0.416) ( 0.00, 0.00, 0.01) 248: oop ( -0.002, -0.001, 0.014) ( -0.001, -0.001, 0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.370, -0.087, -0.051) ( -0.370, -0.087, -0.051) ( 0.00, 0.00, 0.00) 248: electro ( -0.409, -0.590, -0.156) ( -0.409, -0.590, -0.156) ( 0.00, 0.00, 0.00) 248: 17 ( -0.172, -0.001, 0.210) ( -0.170, 0.003, 0.205) ( 0.02, 0.00, 0.11) 248: bond ( 0.202, -2.402, -0.106) ( 0.202, -2.398, -0.106) ( 0.00, 0.16, 0.00) 248: angle ( 0.155, 0.010, 0.062) ( 0.156, 0.010, 0.062) ( 0.01, 0.00, 0.00) 248: strbnd ( 0.312, 1.242, 0.101) ( 0.312, 1.242, 0.101) ( 0.00, 0.00, 0.00) 248: torsion ( -0.037, -0.018, 0.329) ( -0.037, -0.018, 0.329) ( 0.00, 0.00, 0.01) 248: oop ( -0.003, -0.001, 0.025) ( -0.002, -0.001, 0.019) ( 0.00, 0.00, 0.01) 250: torsion ( -0.110, 0.259, 0.519) ( -0.110, 0.259, 0.520) ( 0.00, 0.00, 0.06) 250: oop ( 0.071, -0.161, -0.404) ( 0.060, -0.136, -0.340) ( 0.08, 0.40, 2.58) 250: vdw ( 1.049, -12.118, 4.931) ( 1.049, -12.118, 4.931) ( 0.03, 0.00, 0.00) 250: electro ( 0.469, -0.490, 0.178) ( 0.469, -0.490, 0.178) ( 0.00, 0.00, 0.00) 250: 7 ( -0.211, 0.490, 1.592) ( -0.170, 0.415, 1.339) ( 0.88, 3.66, 15.89) 250: bond ( 3.349, -0.633, 0.565) ( 3.354, -0.629, 0.566) ( 0.16, 0.29, 0.05) 250: angle ( -2.010, -5.848, 0.374) ( -2.008, -5.846, 0.374) ( 0.11, 0.04, 0.01) 250: strbnd ( -0.379, -1.736, 0.181) ( -0.380, -1.737, 0.181) ( 0.03, 0.03, 0.00) 250: torsion ( -0.325, 0.273, 1.507) ( -0.325, 0.273, 1.508) ( 0.00, 0.00, 0.09) 250: oop ( -0.205, 0.452, 1.462) ( -0.171, 0.371, 1.207) ( 0.71, 3.68, 17.45) 250: vdw ( -0.926, 8.721, -2.733) ( -0.925, 8.721, -2.733) ( 0.03, 0.00, 0.00) 250: electro ( 0.284, -0.738, 0.237) ( 0.284, -0.738, 0.237) ( 0.00, 0.00, 0.00) 250: 8 ( -0.038, -0.007, -0.024) ( -0.033, 0.006, -0.005) ( 0.02, 0.01, 0.05) 250: bond ( -2.335, 12.424, -4.470) ( -2.330, 12.429, -4.470) ( 0.23, 0.04, 0.02) 250: angle ( -1.627, -0.904, 0.021) ( -1.626, -0.902, 0.021) ( 0.10, 0.16, 0.00) 250: strbnd ( -5.052, -1.205, -0.263) ( -5.052, -1.206, -0.263) ( 0.00, 0.01, 0.00) 250: torsion ( -0.060, 0.134, 0.425) ( -0.060, 0.134, 0.426) ( 0.00, 0.00, 0.05) 250: oop ( 0.013, -0.035, -0.105) ( 0.011, -0.030, -0.088) ( 0.00, 0.02, 0.18) 250: vdw ( 6.553, -10.647, 4.170) ( 6.553, -10.647, 4.170) ( 0.00, 0.00, 0.00) 250: electro ( 2.471, 0.227, 0.198) ( 2.471, 0.227, 0.198) ( 0.00, 0.00, 0.00) 250: 9 ( 0.946, -1.368, -4.548) ( 0.837, -1.147, -3.903) (10.32, 16.19, 14.19) 250: bond ( 7.584, -6.522, 1.280) ( 7.590, -6.517, 1.281) ( 0.08, 0.07, 0.06) 250: angle ( -6.868, -3.074, 6.963) ( -6.866, -3.072, 6.964) ( 0.03, 0.07, 0.01) 250: strbnd ( -1.384, 3.697, -1.135) ( -1.385, 3.696, -1.136) ( 0.05, 0.02, 0.01) 250: torsion ( 0.914, -1.383, -5.636) ( 0.914, -1.383, -5.635) ( 0.00, 0.01, 0.01) 250: oop ( 0.745, -1.298, -3.922) ( 0.629, -1.083, -3.278) ( 8.65, 16.58, 16.41) 250: vdw ( -1.168, 4.392, -3.048) ( -1.168, 4.393, -3.048) ( 0.00, 0.00, 0.00) 250: electro ( 1.123, 2.820, 0.950) ( 1.123, 2.820, 0.950) ( 0.00, 0.00, 0.00) 250: 10 ( -0.051, -0.123, -0.257) ( -0.046, -0.109, -0.239) ( 0.02, 0.17, 0.44) 250: bond ( 2.250, -21.552, 7.812) ( 2.255, -21.547, 7.813) ( 0.22, 0.02, 0.01) 250: angle ( 0.157, 10.838, -3.791) ( 0.158, 10.840, -3.791) ( 0.02, 0.02, 0.01) 250: strbnd ( -4.774, 3.240, -1.394) ( -4.774, 3.239, -1.394) ( 0.00, 0.01, 0.00) 250: torsion ( -0.383, 0.976, 3.097) ( -0.383, 0.976, 3.098) ( 0.00, 0.02, 0.04) 250: oop ( 0.001, -0.020, -0.019) ( -0.000, -0.013, -0.004) ( 0.00, 0.01, 0.03) 250: vdw ( 1.632, 4.936, -5.898) ( 1.632, 4.937, -5.898) ( 0.01, 0.01, 0.00) 250: electro ( 1.066, 1.459, -0.063) ( 1.066, 1.459, -0.063) ( 0.00, 0.00, 0.00) 250: 11 ( -1.565, 1.497, -6.484) ( -1.426, 1.426, -5.566) ( 8.90, 4.71, 14.17) 250: bond (-16.382, -5.258, -0.908) (-16.377, -5.253, -0.907) ( 0.03, 0.09, 0.07) 250: angle (-11.115, 1.090, 2.569) (-11.112, 1.092, 2.569) ( 0.02, 0.19, 0.01) 250: strbnd ( 22.133, 1.950, 2.757) ( 22.132, 1.949, 2.757) ( 0.00, 0.03, 0.00) 250: torsion ( 0.030, -0.147, -1.459) ( 0.030, -0.146, -1.458) ( 0.00, 0.00, 0.07) 250: oop ( -1.363, 1.188, -6.786) ( -1.230, 1.111, -5.870) ( 9.71, 6.48, 13.50) 250: vdw ( 4.671, 2.284, -2.768) ( 4.672, 2.284, -2.768) ( 0.00, 0.00, 0.00) 250: electro ( 0.459, 0.390, 0.111) ( 0.459, 0.390, 0.111) ( 0.00, 0.00, 0.00) 250: 12 ( -0.002, 0.033, 0.022) ( 0.002, 0.028, -0.000) ( 0.00, 0.02, 0.05) 252: torsion ( 0.044, 1.140, 6.540) ( 0.044, 1.140, 6.541) ( 0.00, 0.01, 0.02) 252: oop ( -0.012, 0.131, 2.561) ( -0.015, 0.116, 2.037) ( 0.00, 0.19, 20.47) 252: vdw ( 2.802, 0.309, -0.945) ( 2.802, 0.309, -0.945) ( 0.00, 0.00, 0.00) 252: electro ( 0.053, -0.066, -0.053) ( 0.053, -0.066, -0.053) ( 0.00, 0.00, 0.00) 252: 7 ( 12.681, 86.824, -19.019) ( 12.702, 86.782, -19.289) ( 0.17, 0.05, 1.42) 252: bond ( -5.030, 48.598, -6.009) ( -5.023, 48.605, -6.009) ( 0.14, 0.01, 0.00) 252: angle ( 20.610, 38.351, -5.278) ( 20.612, 38.353, -5.277) ( 0.01, 0.01, 0.00) 252: strbnd ( -7.020, 1.621, -1.168) ( -7.021, 1.621, -1.168) ( 0.02, 0.02, 0.01) 252: torsion ( 0.098, -1.110, -6.501) ( 0.098, -1.110, -6.500) ( 0.00, 0.00, 0.01) 252: oop ( 0.002, 0.211, 1.179) ( 0.015, 0.160, 0.909) ( 0.00, 1.08, 22.95) 252: vdw ( 4.021, -0.905, -1.238) ( 4.021, -0.905, -1.238) ( 0.00, 0.00, 0.00) 252: electro ( -0.001, 0.057, -0.004) ( -0.001, 0.057, -0.004) ( 0.00, 0.00, 0.00) 252: 8 ( -0.291, -31.753, 6.515) ( -0.281, -31.746, 6.468) ( 0.30, 0.02, 0.71) 252: bond ( 17.320, -9.193, 0.193) ( 17.327, -9.187, 0.193) ( 0.04, 0.07, 0.00) 252: angle (-21.343, -31.556, 3.930) (-21.342, -31.553, 3.930) ( 0.01, 0.01, 0.00) 252: strbnd ( 3.117, 8.773, -0.540) ( 3.116, 8.771, -0.540) ( 0.03, 0.01, 0.00) 252: torsion ( 0.062, 0.254, 3.026) ( 0.062, 0.254, 3.027) ( 0.00, 0.00, 0.04) 252: oop ( -0.019, -0.027, -0.085) ( -0.016, -0.028, -0.132) ( 0.00, 0.00, 0.40) 252: vdw ( 0.599, 0.238, -0.003) ( 0.599, 0.238, -0.003) ( 0.00, 0.00, 0.00) 252: electro ( -0.028, -0.242, -0.006) ( -0.028, -0.242, -0.006) ( 0.00, 0.00, 0.00) 252: 9 ( 44.982, 3.387, 2.990) ( 44.985, 3.386, 2.902) ( 0.01, 0.03, 2.94) 252: bond ( 27.504, 4.642, -1.536) ( 27.511, 4.648, -1.536) ( 0.02, 0.14, 0.00) 252: angle ( 15.991, 5.308, -0.805) ( 15.993, 5.309, -0.804) ( 0.01, 0.04, 0.01) 252: strbnd ( -0.547, -8.870, 0.817) ( -0.547, -8.870, 0.817) ( 0.03, 0.01, 0.00) 252: torsion ( 0.167, 0.437, 4.249) ( 0.167, 0.437, 4.250) ( 0.00, 0.00, 0.03) 252: oop ( 0.027, 0.073, 0.647) ( 0.022, 0.064, 0.558) ( 0.01, 0.07, 5.77) 252: vdw ( 1.899, 1.622, -0.325) ( 1.899, 1.622, -0.325) ( 0.00, 0.00, 0.00) 252: electro ( -0.060, 0.176, -0.057) ( -0.060, 0.176, -0.057) ( 0.00, 0.00, 0.00) 252: 10 (-30.774, -26.770, -2.379) (-30.760, -26.705, -1.847) ( 0.04, 0.25, 22.36) 252: bond (-33.338, -10.219, 2.044) (-33.333, -10.213, 2.044) ( 0.02, 0.06, 0.00) 252: angle ( 5.728, -6.663, 4.844) ( 5.730, -6.662, 4.844) ( 0.04, 0.03, 0.01) 252: strbnd ( -5.454, -7.832, 0.921) ( -5.455, -7.833, 0.921) ( 0.01, 0.01, 0.00) 252: torsion ( -0.215, -0.970, -8.075) ( -0.215, -0.970, -8.074) ( 0.00, 0.00, 0.01) 252: oop ( -0.036, -0.302, -2.716) ( -0.029, -0.244, -2.185) ( 0.02, 1.75, 19.54) 252: vdw ( 2.593, -1.118, 0.786) ( 2.593, -1.118, 0.786) ( 0.00, 0.00, 0.00) 252: electro ( -0.051, 0.334, -0.183) ( -0.051, 0.334, -0.183) ( 0.00, 0.00, 0.00) 252: 11 (-26.667, -22.028, 3.570) (-26.663, -22.040, 3.403) ( 0.01, 0.05, 4.70) 252: bond ( -1.917, -0.727, -0.074) ( -1.913, -0.722, -0.070) ( 0.20, 0.32, 0.03) 252: angle (-29.136, -26.052, 2.735) (-29.134, -26.050, 2.736) ( 0.01, 0.01, 0.05) 252: strbnd ( 4.010, 7.688, -1.200) ( 4.009, 7.687, -1.200) ( 0.01, 0.02, 0.04) 252: torsion ( 0.015, 0.059, 0.642) ( 0.015, 0.059, 0.642) ( 0.00, 0.00, 0.01) 252: oop ( 0.009, 0.064, 0.656) ( 0.007, 0.046, 0.483) ( 0.00, 0.11, 11.35) 252: vdw ( 0.354, -2.969, 0.608) ( 0.354, -2.969, 0.608) ( 0.00, 0.00, 0.00) 252: electro ( -0.002, -0.091, 0.203) ( -0.002, -0.091, 0.203) ( 0.00, 0.00, 0.00) 252: 12 ( -2.870, 3.726, -2.257) ( -2.866, 3.733, -2.186) ( 0.13, 0.18, 3.13) 248: vdw ( -0.532, 0.720, -0.009) ( -0.532, 0.720, -0.009) ( 0.00, 0.00, 0.00) 248: electro ( -0.269, 0.447, -0.192) ( -0.269, 0.447, -0.192) ( 0.00, 0.00, 0.00) 248: 18 ( -0.081, -0.033, -0.057) ( -0.060, -0.053, -0.067) ( 0.17, 0.07, 0.06) 248: bond ( -6.379, 0.928, -24.889) ( -6.375, 0.931, -24.885) ( 0.06, 0.30, 0.02) 248: angle ( 9.056, 0.616, 23.534) ( 9.058, 0.619, 23.536) ( 0.02, 0.14, 0.01) 248: strbnd ( -5.196, -2.586, -0.461) ( -5.197, -2.587, -0.462) ( 0.03, 0.04, 0.02) 248: torsion ( 1.569, -1.208, 0.648) ( 1.569, -1.208, 0.648) ( 0.00, 0.01, 0.00) 248: oop ( -0.120, 0.144, 0.106) ( -0.104, 0.120, 0.090) ( 0.19, 0.35, 0.17) 248: vdw ( 1.409, 4.724, -3.655) ( 1.409, 4.724, -3.655) ( 0.01, 0.00, 0.00) 248: electro ( -0.420, -2.651, 4.661) ( -0.420, -2.651, 4.661) ( 0.00, 0.00, 0.00) 248: 19 ( -0.058, 0.004, 0.349) ( -0.047, 0.015, 0.354) ( 0.06, 0.00, 0.19) 248: bond ( -2.284, 1.490, -1.564) ( -2.281, 1.492, -1.560) ( 0.13, 0.13, 0.31) 248: angle ( -1.097, -5.742, -2.880) ( -1.096, -5.741, -2.878) ( 0.12, 0.02, 0.06) 248: strbnd ( 3.814, -3.033, 2.137) ( 3.814, -3.033, 2.137) ( 0.01, 0.00, 0.01) 248: torsion ( 0.420, 0.671, -0.162) ( 0.420, 0.672, -0.162) ( 0.02, 0.04, 0.00) 248: oop ( -0.056, -0.065, 0.006) ( -0.050, -0.058, 0.005) ( 0.04, 0.05, 0.00) 248: vdw ( -0.306, 9.504, 2.421) ( -0.306, 9.504, 2.421) ( 0.01, 0.00, 0.00) 248: electro ( -0.549, -2.822, 0.391) ( -0.549, -2.822, 0.391) ( 0.00, 0.00, 0.00) 248: 20 ( 0.614, 0.560, 0.386) ( 0.502, 0.609, 0.460) ( 6.89, 2.73, 2.86) 248: bond ( -2.231, -20.883, 8.347) ( -2.227, -20.877, 8.352) ( 0.15, 0.03, 0.06) 248: angle ( -4.426, 15.205, -3.475) ( -4.426, 15.207, -3.473) ( 0.02, 0.01, 0.05) 248: strbnd ( -4.771, -2.312, -7.995) ( -4.772, -2.313, -7.996) ( 0.01, 0.04, 0.02) 248: torsion ( -2.925, 0.824, 1.217) ( -2.924, 0.824, 1.217) ( 0.01, 0.00, 0.00) 248: oop ( 0.652, -0.226, -0.380) ( 0.536, -0.185, -0.311) ( 7.57, 0.92, 2.60) 248: vdw ( 7.151, 3.310, 3.612) ( 7.151, 3.310, 3.612) ( 0.00, 0.00, 0.00) 248: electro ( 7.163, 4.641, -0.940) ( 7.163, 4.641, -0.940) ( 0.00, 0.00, 0.00) 248: 21 ( -0.124, -0.034, 0.051) ( -0.123, -0.033, 0.055) ( 0.01, 0.00, 0.02) 248: bond ( -0.235, -0.308, -2.219) ( -0.235, -0.308, -2.216) ( 0.00, 0.00, 0.15) 248: angle ( 4.698, -5.851, 0.315) ( 4.699, -5.850, 0.315) ( 0.01, 0.01, 0.00) 248: strbnd ( -0.581, -0.336, 1.443) ( -0.581, -0.336, 1.443) ( 0.00, 0.00, 0.00) 248: torsion ( -1.301, 0.144, 0.118) ( -1.301, 0.144, 0.118) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.704, 6.318, 0.395) ( -2.704, 6.318, 0.395) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 ( -0.190, -0.210, -0.397) ( -0.195, -0.220, -0.390) ( 0.10, 0.21, 0.27) 248: bond ( 7.110, -5.000, 16.974) ( 7.113, -4.998, 16.979) ( 0.05, 0.04, 0.03) 248: angle ( -2.542, 1.862, -6.168) ( -2.541, 1.862, -6.166) ( 0.04, 0.04, 0.03) 248: strbnd ( -2.998, 2.586, 2.923) ( -2.998, 2.586, 2.923) ( 0.00, 0.00, 0.01) 248: torsion ( 0.187, 0.206, 0.004) ( 0.187, 0.207, 0.004) ( 0.01, 0.02, 0.00) 248: oop ( 0.071, 0.090, -0.001) ( 0.060, 0.076, -0.000) ( 0.07, 0.12, 0.00) 248: vdw ( -3.409, 1.113, -13.213) ( -3.409, 1.113, -13.213) ( 0.00, 0.01, 0.00) 248: electro ( 1.392, -1.067, -0.917) ( 1.392, -1.067, -0.917) ( 0.00, 0.00, 0.00) 248: 23 ( -0.334, -0.228, 0.485) ( -0.328, -0.223, 0.493) ( 0.22, 0.13, 0.36) 248: bond ( -4.764, 3.427, 11.494) ( -4.760, 3.429, 11.499) ( 0.07, 0.06, 0.05) 250: bond ( -0.083, -1.551, 0.585) ( -0.083, -1.548, 0.586) ( 0.00, 0.21, 0.03) 250: angle ( -2.409, 0.039, -0.237) ( -2.408, 0.039, -0.237) ( 0.03, 0.00, 0.00) 250: strbnd ( 0.317, 2.635, -1.018) ( 0.317, 2.635, -1.018) ( 0.00, 0.00, 0.00) 250: torsion ( -0.335, 0.971, 2.518) ( -0.335, 0.971, 2.518) ( 0.00, 0.00, 0.01) 250: oop ( -0.020, 0.060, 0.155) ( -0.017, 0.051, 0.132) ( 0.01, 0.05, 0.36) 250: vdw ( 1.947, -0.339, -2.146) ( 1.947, -0.339, -2.146) ( 0.01, 0.00, 0.00) 250: electro ( 0.582, -1.781, 0.164) ( 0.582, -1.781, 0.164) ( 0.00, 0.00, 0.00) 250: 13 ( -0.161, 0.206, 0.379) ( -0.135, 0.166, 0.239) ( 0.42, 0.83, 5.33) 250: bond (-10.578, 16.134, -6.570) (-10.572, 16.139, -6.569) ( 0.06, 0.03, 0.01) 250: angle ( 3.774, -9.877, 3.575) ( 3.776, -9.875, 3.575) ( 0.06, 0.02, 0.00) 250: strbnd ( 6.607, 8.014, -1.786) ( 6.607, 8.014, -1.786) ( 0.00, 0.00, 0.00) 250: torsion ( 0.109, -0.516, -1.612) ( 0.109, -0.516, -1.611) ( 0.00, 0.01, 0.06) 250: oop ( -0.104, 0.267, 0.810) ( -0.086, 0.220, 0.668) ( 0.18, 1.25, 11.54) 250: vdw ( 2.473, -10.532, 5.124) ( 2.473, -10.532, 5.124) ( 0.01, 0.00, 0.00) 250: electro ( -2.443, -3.284, 0.838) ( -2.443, -3.284, 0.838) ( 0.00, 0.00, 0.00) 250: 14 ( -0.003, 0.005, 0.001) ( -0.002, 0.008, -0.001) ( 0.00, 0.00, 0.00) 250: bond ( 0.027, 1.931, -0.640) ( 0.027, 1.934, -0.640) ( 0.00, 0.18, 0.02) 250: angle ( -2.454, -0.061, -0.290) ( -2.454, -0.061, -0.290) ( 0.03, 0.00, 0.00) 250: strbnd ( -0.157, -0.599, 0.177) ( -0.157, -0.599, 0.177) ( 0.00, 0.00, 0.00) 250: torsion ( 0.008, -0.021, -0.062) ( 0.008, -0.021, -0.062) ( 0.00, 0.00, 0.00) 250: oop ( -0.002, 0.005, 0.014) ( -0.001, 0.004, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( 3.894, -1.054, 0.744) ( 3.894, -1.054, 0.744) ( 0.00, 0.00, 0.00) 250: electro ( -1.319, -0.195, 0.058) ( -1.319, -0.195, 0.058) ( 0.00, 0.00, 0.00) 250: 15 ( 0.084, -0.049, 0.001) ( 0.085, -0.040, 0.023) ( 0.00, 0.04, 0.00) 250: bond ( 0.221, -0.141, 0.077) ( 0.224, -0.139, 0.077) ( 0.07, 0.02, 0.00) 250: angle ( 4.781, 6.809, -1.605) ( 4.781, 6.810, -1.605) ( 0.01, 0.01, 0.00) 250: strbnd ( -0.896, 1.110, -0.480) ( -0.896, 1.110, -0.480) ( 0.00, 0.00, 0.00) 250: torsion ( 0.065, -0.159, -0.479) ( 0.065, -0.159, -0.479) ( 0.00, 0.00, 0.01) 250: oop ( 0.019, -0.046, -0.139) ( 0.016, -0.039, -0.117) ( 0.01, 0.03, 0.30) 250: vdw ( -4.637, -7.161, 2.713) ( -4.637, -7.161, 2.713) ( 0.00, 0.00, 0.00) 250: electro ( 0.531, -0.461, -0.087) ( 0.531, -0.461, -0.087) ( 0.00, 0.00, 0.00) 250: 16 ( 0.592, -6.830, 17.259) ( 0.475, -6.321, 15.463) ( 6.92, 7.44, 10.40) 250: bond ( 11.932, 3.001, 15.852) ( 11.937, 3.005, 15.854) ( 0.04, 0.13, 0.01) 250: angle ( 23.478, 14.321, -5.626) ( 23.480, 14.322, -5.625) ( 0.01, 0.01, 0.02) 250: strbnd (-17.338, -10.628, -0.306) (-17.339, -10.629, -0.306) ( 0.01, 0.01, 0.01) 250: torsion ( 2.180, -3.338, -2.414) ( 2.180, -3.338, -2.413) ( 0.00, 0.00, 0.01) 250: oop ( 0.730, -6.148, 15.666) ( 0.607, -5.645, 13.868) ( 8.98, 8.18, 11.48) 250: vdw ( -3.584, -3.576, 0.274) ( -3.584, -3.576, 0.274) ( 0.00, 0.00, 0.00) 250: electro (-16.806, -0.461, -6.188) (-16.806, -0.461, -6.188) ( 0.00, 0.00, 0.00) 250: 17 ( -0.326, 0.524, 1.534) ( -0.284, 0.447, 1.326) ( 1.35, 4.06, 13.53) 250: bond ( -1.611, -0.017, 3.957) ( -1.609, -0.012, 3.962) ( 0.12, 0.01, 0.12) 250: angle ( 6.180, 1.067, -5.100) ( 6.182, 1.069, -5.098) ( 0.03, 0.17, 0.04) 250: strbnd ( 0.100, -7.392, 3.328) ( 0.099, -7.392, 3.327) ( 0.00, 0.01, 0.03) 250: torsion ( 0.098, -0.377, 0.788) ( 0.098, -0.377, 0.788) ( 0.00, 0.00, 0.00) 250: oop ( -0.243, 0.495, 1.264) ( -0.205, 0.412, 1.051) ( 0.93, 4.15, 16.89) 252: bond ( -1.203, -0.681, 0.064) ( -1.200, -0.680, 0.064) ( 0.25, 0.07, 0.00) 252: angle ( -3.337, 5.858, -0.289) ( -3.337, 5.858, -0.289) ( 0.00, 0.01, 0.00) 252: strbnd ( 0.884, -1.534, 0.070) ( 0.884, -1.534, 0.070) ( 0.00, 0.00, 0.00) 252: torsion ( -0.026, -0.127, -1.856) ( -0.026, -0.127, -1.856) ( 0.00, 0.00, 0.02) 252: oop ( -0.003, -0.017, -0.242) ( -0.002, -0.012, -0.171) ( 0.00, 0.01, 1.70) 252: vdw ( 0.644, 0.265, -0.021) ( 0.644, 0.265, -0.021) ( 0.00, 0.00, 0.00) 252: electro ( 0.172, -0.037, 0.018) ( 0.172, -0.037, 0.018) ( 0.00, 0.00, 0.00) 252: 13 ( -3.039, -3.637, -0.645) ( -3.036, -3.632, -0.621) ( 0.10, 0.13, 1.57) 252: bond ( -1.376, 1.267, -0.103) ( -1.374, 1.269, -0.103) ( 0.15, 0.14, 0.00) 252: angle ( -4.815, -5.170, 0.545) ( -4.815, -5.170, 0.545) ( 0.01, 0.01, 0.00) 252: strbnd ( 1.880, 0.883, -0.174) ( 1.880, 0.883, -0.174) ( 0.00, 0.00, 0.00) 252: torsion ( -0.019, -0.089, -0.837) ( -0.019, -0.089, -0.837) ( 0.00, 0.00, 0.03) 252: oop ( -0.002, -0.010, -0.098) ( -0.002, -0.008, -0.074) ( 0.00, 0.00, 0.23) 252: vdw ( 1.159, -0.292, -0.017) ( 1.159, -0.292, -0.017) ( 0.00, 0.00, 0.00) 252: electro ( 0.134, -0.226, 0.039) ( 0.134, -0.226, 0.039) ( 0.00, 0.00, 0.00) 252: 14 ( 26.477, 19.962, 14.448) ( 26.502, 20.025, 14.358) ( 0.09, 0.32, 0.62) 252: bond ( 2.000, 0.807, 0.393) ( 2.004, 0.812, 0.397) ( 0.19, 0.36, 0.17) 252: angle ( 29.017, 24.625, 15.667) ( 29.019, 24.627, 15.669) ( 0.01, 0.01, 0.01) 252: strbnd ( -3.684, -7.464, -4.429) ( -3.685, -7.465, -4.430) ( 0.02, 0.01, 0.02) 252: torsion ( -0.089, -0.284, 0.463) ( -0.089, -0.284, 0.463) ( 0.00, 0.00, 0.01) 252: oop ( -0.074, -0.220, 0.362) ( -0.055, -0.162, 0.267) ( 0.14, 1.28, 3.46) 252: vdw ( -0.663, 2.502, 1.775) ( -0.663, 2.502, 1.775) ( 0.00, 0.00, 0.00) 252: electro ( -0.030, -0.005, 0.217) ( -0.030, -0.005, 0.217) ( 0.00, 0.00, 0.00) 252: 15 ( 3.238, -4.313, -1.243) ( 3.260, -4.253, -1.338) ( 0.67, 1.38, 7.68) 252: bond ( 1.169, 0.545, 0.557) ( 1.172, 0.545, 0.558) ( 0.23, 0.03, 0.03) 252: angle ( 3.953, -5.603, -2.827) ( 3.953, -5.602, -2.827) ( 0.00, 0.01, 0.00) 252: strbnd ( -0.998, 1.310, 0.666) ( -0.998, 1.310, 0.666) ( 0.00, 0.00, 0.00) 252: torsion ( -0.049, -0.169, 0.268) ( -0.049, -0.169, 0.269) ( 0.00, 0.00, 0.01) 252: oop ( -0.064, -0.204, 0.334) ( -0.045, -0.145, 0.237) ( 0.12, 1.19, 3.22) 252: vdw ( -0.604, -0.224, -0.242) ( -0.604, -0.224, -0.242) ( 0.00, 0.00, 0.00) 252: electro ( -0.168, 0.032, 0.001) ( -0.168, 0.032, 0.001) ( 0.00, 0.00, 0.00) 252: 16 ( 2.827, 3.165, 1.873) ( 2.825, 3.154, 1.894) ( 0.07, 0.35, 1.16) 252: bond ( 1.377, -1.119, -0.400) ( 1.379, -1.118, -0.400) ( 0.16, 0.13, 0.01) 252: angle ( 4.447, 4.280, 3.375) ( 4.447, 4.280, 3.375) ( 0.01, 0.01, 0.01) 252: strbnd ( -1.774, -0.686, -0.825) ( -1.774, -0.686, -0.825) ( 0.00, 0.00, 0.00) 252: torsion ( 0.054, 0.148, -0.229) ( 0.054, 0.148, -0.229) ( 0.00, 0.00, 0.01) 252: oop ( 0.018, 0.053, -0.087) ( 0.013, 0.040, -0.065) ( 0.01, 0.07, 0.18) 252: vdw ( -1.150, 0.297, -0.072) ( -1.149, 0.297, -0.072) ( 0.00, 0.00, 0.00) 252: electro ( -0.145, 0.192, 0.110) ( -0.145, 0.192, 0.110) ( 0.00, 0.00, 0.00) 252: 17 ( 10.855, 29.221, 17.768) ( 10.869, 29.262, 17.706) ( 0.13, 0.14, 0.35) 252: bond ( -3.169, 26.110, 15.008) ( -3.169, 26.113, 15.009) ( 0.01, 0.01, 0.01) 252: angle ( 14.067, 0.347, 2.366) ( 14.068, 0.347, 2.366) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.226, 2.694, 1.435) ( -0.226, 2.694, 1.435) ( 0.00, 0.00, 0.00) 252: torsion ( 0.187, 0.538, -0.897) ( 0.187, 0.538, -0.897) ( 0.00, 0.00, 0.01) 252: oop ( -0.055, -0.172, 0.287) ( -0.042, -0.134, 0.224) ( 0.07, 0.65, 1.81) 248: angle ( 1.122, -0.757, 2.811) ( 1.123, -0.756, 2.813) ( 0.09, 0.04, 0.06) 248: strbnd ( 2.035, -1.610, -1.356) ( 2.035, -1.610, -1.356) ( 0.01, 0.01, 0.01) 248: torsion ( -0.226, -0.307, 0.011) ( -0.225, -0.307, 0.011) ( 0.01, 0.03, 0.00) 248: oop ( -0.009, -0.013, -0.000) ( -0.008, -0.010, -0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.387, -0.990, -13.718) ( 1.387, -0.990, -13.718) ( 0.00, 0.00, 0.00) 248: electro ( 0.120, 0.021, 1.244) ( 0.120, 0.021, 1.244) ( 0.00, 0.00, 0.00) 248: 24 ( 0.020, -0.128, -0.527) ( 0.034, -0.112, -0.520) ( 0.03, 0.20, 0.37) 248: bond ( -7.605, 5.610, 5.554) ( -7.601, 5.612, 5.560) ( 0.05, 0.04, 0.10) 248: angle ( -1.737, 1.343, 0.082) ( -1.736, 1.343, 0.083) ( 0.06, 0.05, 0.01) 248: strbnd ( 0.340, -0.282, -1.073) ( 0.340, -0.282, -1.073) ( 0.00, 0.00, 0.02) 248: torsion ( 0.141, 0.176, 0.004) ( 0.142, 0.177, 0.004) ( 0.01, 0.01, 0.00) 248: oop ( -0.055, -0.073, -0.001) ( -0.046, -0.061, -0.001) ( 0.05, 0.09, 0.00) 248: vdw ( 9.119, -7.021, -4.701) ( 9.119, -7.021, -4.701) ( 0.00, 0.00, 0.00) 248: electro ( -0.183, 0.118, -0.392) ( -0.183, 0.118, -0.392) ( 0.00, 0.00, 0.00) 248: 25 ( 0.159, 0.213, 0.583) ( 0.143, 0.190, 0.589) ( 0.26, 0.50, 0.38) 248: bond (-11.078, 8.736, -4.694) (-11.074, 8.738, -4.688) ( 0.03, 0.02, 0.12) 248: angle ( 1.300, -0.887, -3.803) ( 1.301, -0.886, -3.801) ( 0.08, 0.06, 0.05) 248: strbnd ( 1.316, -0.991, 0.244) ( 1.316, -0.991, 0.244) ( 0.01, 0.01, 0.00) 248: torsion ( -0.076, -0.091, 0.002) ( -0.076, -0.090, 0.002) ( 0.00, 0.01, 0.00) 248: oop ( 0.140, 0.179, 0.005) ( 0.119, 0.152, 0.004) ( 0.30, 0.49, 0.00) 248: vdw ( 8.950, -6.944, 9.005) ( 8.950, -6.943, 9.005) ( 0.00, 0.00, 0.00) 248: electro ( -0.393, 0.211, -0.176) ( -0.393, 0.211, -0.176) ( 0.00, 0.00, 0.00) 248: 26 ( 0.084, 0.183, -0.225) ( 0.142, 0.255, -0.217) ( 0.48, 1.32, 0.18) 248: bond ( -0.944, 0.846, -18.247) ( -0.940, 0.848, -18.243) ( 0.30, 0.17, 0.02) 248: angle ( 7.126, -5.296, 3.718) ( 7.127, -5.296, 3.720) ( 0.01, 0.01, 0.05) 248: strbnd ( -7.430, 5.904, 0.945) ( -7.430, 5.904, 0.944) ( 0.00, 0.00, 0.05) 248: torsion ( -0.866, -1.152, -0.063) ( -0.866, -1.152, -0.063) ( 0.03, 0.06, 0.00) 248: oop ( -0.313, -0.407, -0.015) ( -0.261, -0.338, -0.012) ( 1.66, 2.81, 0.00) 248: vdw ( 3.069, -0.873, 13.253) ( 3.069, -0.873, 13.253) ( 0.00, 0.00, 0.00) 248: electro ( -0.557, 1.161, 0.184) ( -0.557, 1.161, 0.184) ( 0.00, 0.00, 0.00) 248: 27 ( -0.315, -0.428, 0.139) ( -0.314, -0.427, 0.141) ( 0.05, 0.03, 0.03) 248: bond ( 2.446, -1.770, 2.501) ( 2.447, -1.769, 2.503) ( 0.06, 0.04, 0.06) 248: angle ( -1.543, 1.181, 2.343) ( -1.543, 1.181, 2.344) ( 0.01, 0.01, 0.02) 248: strbnd ( -1.339, 0.977, -0.789) ( -1.339, 0.977, -0.789) ( 0.00, 0.00, 0.00) 248: torsion ( 0.988, 1.336, -0.022) ( 0.988, 1.336, -0.022) ( 0.01, 0.02, 0.00) 248: oop ( 0.002, 0.003, -0.000) ( 0.002, 0.002, -0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.259, -2.708, -3.410) ( 1.260, -2.708, -3.410) ( 0.00, 0.00, 0.00) 248: electro ( -2.129, 0.554, -0.484) ( -2.129, 0.554, -0.484) ( 0.00, 0.00, 0.00) 248: 28 ( 0.161, 0.473, -0.074) ( 0.162, 0.473, -0.072) ( 0.01, 0.00, 0.01) 248: bond ( -1.791, 1.438, -1.751) ( -1.790, 1.439, -1.750) ( 0.08, 0.07, 0.08) 248: angle ( -0.694, 0.523, 1.139) ( -0.694, 0.523, 1.139) ( 0.01, 0.00, 0.04) 248: strbnd ( 0.572, -0.470, 0.906) ( 0.572, -0.470, 0.906) ( 0.00, 0.00, 0.00) 248: torsion ( 0.222, 0.282, 0.005) ( 0.222, 0.283, 0.005) ( 0.00, 0.01, 0.00) 248: oop ( 0.006, 0.008, 0.000) ( 0.005, 0.007, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.510, -1.901, -1.427) ( 2.510, -1.901, -1.427) ( 0.00, 0.00, 0.00) 250: vdw ( -4.964, 6.311, -2.568) ( -4.963, 6.311, -2.568) ( 0.00, 0.00, 0.00) 250: electro ( 0.114, 0.437, -0.136) ( 0.114, 0.437, -0.136) ( 0.00, 0.00, 0.00) 250: 18 ( 0.022, -0.013, 0.018) ( 0.025, -0.012, 0.017) ( 0.01, 0.00, 0.00) 250: bond ( 2.427, -1.578, 1.180) ( 2.429, -1.577, 1.181) ( 0.09, 0.06, 0.04) 250: angle ( 0.938, 1.300, -0.193) ( 0.938, 1.300, -0.193) ( 0.02, 0.03, 0.00) 250: strbnd ( 0.253, 0.443, -0.086) ( 0.253, 0.443, -0.086) ( 0.00, 0.00, 0.00) 250: torsion ( -0.194, 0.249, 0.730) ( -0.194, 0.249, 0.731) ( 0.00, 0.00, 0.02) 250: oop ( -0.004, 0.005, 0.016) ( -0.004, 0.005, 0.014) ( 0.00, 0.00, 0.00) 250: vdw ( -0.726, 0.545, -1.869) ( -0.726, 0.545, -1.869) ( 0.01, 0.01, 0.00) 250: electro ( -2.672, -0.977, 0.240) ( -2.672, -0.977, 0.240) ( 0.00, 0.00, 0.00) 250: 19 ( -0.014, 3.511, -4.590) ( 0.033, 3.229, -4.205) ( 0.06, 8.04, 8.38) 250: bond ( 14.557, -7.075, -16.796) ( 14.561, -7.071, -16.792) ( 0.03, 0.06, 0.03) 250: angle ( -6.287, 1.336, 9.984) ( -6.284, 1.338, 9.986) ( 0.04, 0.15, 0.02) 250: strbnd ( -1.105, -2.672, 1.853) ( -1.106, -2.672, 1.852) ( 0.07, 0.04, 0.04) 250: torsion ( -2.284, 2.619, -3.338) ( -2.284, 2.619, -3.338) ( 0.00, 0.00, 0.00) 250: oop ( -0.200, 3.236, -4.287) ( -0.160, 2.949, -3.907) ( 0.82, 8.88, 8.84) 250: vdw ( -0.883, 6.505, 5.249) ( -0.883, 6.505, 5.250) ( 0.01, 0.00, 0.00) 250: electro ( -3.811, -0.439, 2.744) ( -3.811, -0.439, 2.744) ( 0.00, 0.00, 0.00) 250: 20 ( 1.087, 1.726, -6.160) ( 1.026, 1.634, -5.527) ( 5.62, 5.35, 10.28) 250: bond ( -3.175, 21.247, -4.289) ( -3.171, 21.251, -4.285) ( 0.12, 0.02, 0.11) 250: angle ( -1.211, -12.477, 2.194) ( -1.209, -12.475, 2.196) ( 0.17, 0.02, 0.08) 250: strbnd ( -3.415, -1.229, 2.715) ( -3.416, -1.230, 2.715) ( 0.04, 0.07, 0.01) 250: torsion ( -0.113, 0.216, 3.410) ( -0.113, 0.216, 3.410) ( 0.00, 0.00, 0.00) 250: oop ( 0.933, 1.474, -5.351) ( 0.867, 1.376, -4.724) ( 6.12, 6.66, 11.72) 250: vdw ( 9.608, -0.387, -5.167) ( 9.608, -0.387, -5.167) ( 0.00, 0.01, 0.00) 250: electro ( -1.539, -7.118, 0.328) ( -1.539, -7.118, 0.328) ( 0.00, 0.00, 0.00) 250: 21 ( 0.043, 0.049, -0.100) ( 0.045, 0.051, -0.100) ( 0.01, 0.01, 0.01) 250: bond ( 1.613, -1.085, 0.142) ( 1.615, -1.084, 0.142) ( 0.14, 0.10, 0.00) 250: angle ( -3.259, -5.157, -2.297) ( -3.259, -5.157, -2.296) ( 0.01, 0.01, 0.02) 250: strbnd ( -0.614, 0.250, -1.435) ( -0.614, 0.250, -1.435) ( 0.00, 0.00, 0.00) 250: torsion ( 0.131, 0.198, 0.029) ( 0.131, 0.198, 0.029) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.173, 5.843, 3.461) ( 2.173, 5.843, 3.461) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 ( -0.097, 0.001, -0.021) ( -0.097, 0.002, -0.017) ( 0.01, 0.00, 0.01) 250: bond ( -0.285, 1.036, -3.315) ( -0.285, 1.036, -3.312) ( 0.00, 0.03, 0.09) 250: angle ( 0.181, -1.068, -0.350) ( 0.182, -1.067, -0.350) ( 0.01, 0.05, 0.00) 250: strbnd ( 0.973, -1.118, 0.103) ( 0.973, -1.118, 0.103) ( 0.00, 0.00, 0.00) 250: torsion ( 0.253, -0.745, -0.255) ( 0.253, -0.745, -0.255) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.220, 1.896, 3.796) ( -1.220, 1.896, 3.796) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( 0.003, -0.104, -0.010) ( 0.007, -0.098, -0.004) ( 0.00, 0.06, 0.01) 250: bond ( -3.127, -17.812, 3.460) ( -3.123, -17.808, 3.465) ( 0.13, 0.02, 0.13) 252: vdw ( -0.563, -0.467, -0.562) ( -0.563, -0.467, -0.562) ( 0.00, 0.00, 0.00) 252: electro ( 0.615, 0.171, 0.131) ( 0.615, 0.171, 0.131) ( 0.00, 0.00, 0.00) 252: 18 (-14.723, -32.439, 10.525) (-14.730, -32.402, 10.710) ( 0.05, 0.11, 1.75) 252: bond ( 1.321, -29.709, 5.246) ( 1.321, -29.705, 5.247) ( 0.01, 0.01, 0.01) 252: angle (-16.050, -0.489, 1.274) (-16.050, -0.489, 1.274) ( 0.01, 0.00, 0.00) 252: strbnd ( 0.072, -3.233, 0.861) ( 0.072, -3.233, 0.861) ( 0.00, 0.00, 0.00) 252: torsion ( -0.052, 0.751, 4.265) ( -0.052, 0.751, 4.266) ( 0.00, 0.00, 0.00) 252: oop ( 0.009, -0.150, -0.851) ( 0.001, -0.118, -0.667) ( 0.01, 0.48, 15.66) 252: vdw ( 0.603, 0.572, -0.221) ( 0.603, 0.572, -0.221) ( 0.00, 0.00, 0.00) 252: electro ( -0.625, -0.180, -0.050) ( -0.625, -0.180, -0.050) ( 0.00, 0.00, 0.00) 252: 19 ( -9.549, -16.055, -9.499) ( -9.547, -16.054, -9.498) ( 0.02, 0.01, 0.01) 252: bond ( 6.549, -6.489, -5.236) ( 6.550, -6.488, -5.235) ( 0.02, 0.02, 0.02) 252: angle (-15.891, -11.333, -5.837) (-15.890, -11.333, -5.837) ( 0.00, 0.00, 0.01) 252: strbnd ( -1.046, 0.503, 0.436) ( -1.046, 0.503, 0.436) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.839, 1.264, 1.139) ( 0.839, 1.264, 1.139) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 ( -6.872, -6.628, -8.449) ( -6.870, -6.627, -8.448) ( 0.02, 0.01, 0.02) 252: bond ( -7.287, 3.445, -8.054) ( -7.286, 3.445, -8.052) ( 0.02, 0.01, 0.02) 252: angle ( -1.156, -10.327, -3.372) ( -1.156, -10.326, -3.372) ( 0.02, 0.01, 0.01) 252: strbnd ( 1.415, -1.060, 1.430) ( 1.415, -1.060, 1.430) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.156, 1.313, 1.547) ( 0.156, 1.313, 1.547) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 21 ( -5.154, -11.419, -3.897) ( -5.153, -11.418, -3.895) ( 0.02, 0.01, 0.04) 252: bond ( -5.951, -7.142, 6.246) ( -5.950, -7.141, 6.247) ( 0.02, 0.02, 0.02) 252: angle ( -0.744, -6.990, -8.698) ( -0.743, -6.990, -8.698) ( 0.02, 0.00, 0.01) 252: strbnd ( 1.377, 1.441, -1.809) ( 1.377, 1.441, -1.809) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.163, 1.273, 0.365) ( 0.163, 1.273, 0.365) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 ( 6.707, 14.950, -4.095) ( 6.709, 14.951, -4.094) ( 0.04, 0.00, 0.03) 252: bond ( 10.180, 0.038, -5.182) ( 10.183, 0.038, -5.181) ( 0.02, 0.00, 0.01) 252: angle ( -0.643, 16.864, -1.139) ( -0.642, 16.864, -1.139) ( 0.01, 0.00, 0.03) 252: strbnd ( -2.565, 0.430, 1.327) ( -2.565, 0.430, 1.327) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.266, -2.382, 0.899) ( -0.266, -2.382, 0.899) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( 7.712, 7.044, 4.929) ( 7.712, 7.045, 4.931) ( 0.01, 0.01, 0.05) 252: bond ( 2.115, 4.636, 9.930) ( 2.115, 4.637, 9.932) ( 0.01, 0.01, 0.02) 252: angle ( 6.274, 3.725, -3.075) ( 6.274, 3.725, -3.075) ( 0.01, 0.01, 0.00) 252: strbnd ( -0.199, -0.342, -1.642) ( -0.199, -0.342, -1.642) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.477, -0.975, -0.284) ( -0.477, -0.975, -0.284) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( 10.798, 13.827, -7.791) ( 10.799, 13.829, -7.790) ( 0.01, 0.01, 0.02) 252: bond ( -5.076, 7.231, -5.839) ( -5.075, 7.232, -5.838) ( 0.01, 0.02, 0.02) 252: angle ( 15.920, 8.574, -3.218) ( 15.920, 8.575, -3.218) ( 0.00, 0.00, 0.01) 252: strbnd ( 0.876, -0.556, 0.755) ( 0.876, -0.556, 0.755) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.922, -1.422, 0.511) ( -0.922, -1.422, 0.511) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 16 # gradients 252: ok 17 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 248: electro ( -0.665, 0.593, 1.054) ( -0.665, 0.593, 1.054) ( 0.00, 0.00, 0.00) 248: 29 ( 0.385, 0.558, 0.067) ( 0.367, 0.535, 0.068) ( 0.68, 1.30, 0.01) 248: bond ( 0.302, -0.086, -3.852) ( 0.302, -0.086, -3.850) ( 0.00, 0.00, 0.06) 248: angle ( -6.191, 4.765, -0.593) ( -6.191, 4.765, -0.593) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.076, 0.015, -2.804) ( 0.076, 0.015, -2.804) ( 0.00, 0.00, 0.00) 248: torsion ( 0.648, 0.848, 0.032) ( 0.648, 0.848, 0.032) ( 0.00, 0.01, 0.00) 248: oop ( 0.111, 0.143, 0.005) ( 0.093, 0.120, 0.005) ( 0.20, 0.34, 0.00) 248: vdw ( 5.741, -5.031, 8.170) ( 5.741, -5.031, 8.171) ( 0.00, 0.00, 0.00) 248: electro ( -0.302, -0.096, -0.891) ( -0.302, -0.096, -0.891) ( 0.00, 0.00, 0.00) 248: 30 ( -0.388, -0.464, -0.137) ( -0.390, -0.467, -0.134) ( 0.06, 0.11, 0.05) 248: bond ( -0.285, 0.192, 2.526) ( -0.284, 0.192, 2.529) ( 0.00, 0.00, 0.15) 248: angle ( 0.191, -0.141, 0.032) ( 0.191, -0.141, 0.032) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.092, 0.073, -0.831) ( -0.092, 0.073, -0.831) ( 0.00, 0.00, 0.00) 248: torsion ( -0.351, -0.466, -0.004) ( -0.351, -0.466, -0.004) ( 0.00, 0.01, 0.00) 248: oop ( 0.013, 0.017, 0.000) ( 0.011, 0.014, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.124, -0.078, -0.755) ( 0.124, -0.078, -0.755) ( 0.00, 0.00, 0.00) 248: electro ( 0.011, -0.061, -1.105) ( 0.011, -0.061, -1.105) ( 0.00, 0.00, 0.00) 248: 31 ( -0.193, 0.021, 0.101) ( -0.196, 0.016, 0.102) ( 0.05, 0.01, 0.01) 248: bond ( -1.807, 1.366, 0.917) ( -1.805, 1.368, 0.917) ( 0.11, 0.09, 0.05) 248: angle ( 0.005, 0.002, 0.007) ( 0.005, 0.002, 0.008) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.452, -0.351, -0.140) ( 0.452, -0.351, -0.140) ( 0.00, 0.00, 0.00) 248: torsion ( -0.111, -0.144, -0.004) ( -0.110, -0.143, -0.004) ( 0.00, 0.00, 0.00) 248: oop ( 0.028, 0.036, 0.000) ( 0.023, 0.030, 0.000) ( 0.01, 0.02, 0.00) 248: vdw ( 0.558, -0.417, -0.304) ( 0.558, -0.417, -0.304) ( 0.00, 0.00, 0.00) 248: electro ( 0.682, -0.472, -0.376) ( 0.682, -0.472, -0.376) ( 0.00, 0.00, 0.00) 248: 32 ( -0.425, -0.505, -0.048) ( -0.365, -0.520, -0.079) ( 2.55, 0.73, 0.15) 248: bond ( -5.280, -7.572, -4.556) ( -5.277, -7.567, -4.554) ( 0.05, 0.06, 0.04) 248: angle ( -0.110, 0.279, -0.337) ( -0.110, 0.279, -0.337) ( 0.00, 0.01, 0.02) 248: strbnd ( 1.293, 1.229, 1.466) ( 1.293, 1.229, 1.466) ( 0.00, 0.01, 0.01) 248: torsion ( 1.739, -0.595, -1.027) ( 1.739, -0.595, -1.027) ( 0.00, 0.00, 0.00) 248: oop ( -0.260, 0.090, 0.151) ( -0.202, 0.070, 0.118) ( 1.49, 0.18, 0.50) 248: vdw ( 4.932, 0.142, 8.178) ( 4.933, 0.142, 8.178) ( 0.00, 0.00, 0.00) 248: electro ( -2.741, 5.922, -3.924) ( -2.741, 5.922, -3.924) ( 0.00, 0.00, 0.00) 248: 33 ( 0.059, 0.082, -0.083) ( 0.093, 0.076, -0.098) ( 0.20, 0.05, 0.12) 248: bond ( 4.715, 4.557, 6.062) ( 4.716, 4.560, 6.065) ( 0.02, 0.07, 0.06) 248: angle ( -7.689, -18.240, -5.025) ( -7.688, -18.238, -5.024) ( 0.01, 0.01, 0.01) 248: strbnd ( 3.295, -2.419, 7.181) ( 3.295, -2.419, 7.181) ( 0.00, 0.01, 0.00) 248: torsion ( -1.716, 0.412, 0.834) ( -1.716, 0.412, 0.834) ( 0.01, 0.00, 0.00) 248: oop ( -0.210, 0.072, 0.121) ( -0.178, 0.061, 0.103) ( 0.68, 0.08, 0.23) 248: vdw ( 1.937, 10.751, -6.247) ( 1.938, 10.752, -6.247) ( 0.00, 0.00, 0.00) 248: electro ( -0.274, 4.948, -3.009) ( -0.274, 4.948, -3.009) ( 0.00, 0.00, 0.00) 248: 34 ( 0.389, 0.093, 0.080) ( 0.395, 0.098, 0.086) ( 0.24, 0.05, 0.05) 248: bond ( -0.334, -4.761, 2.356) ( -0.329, -4.757, 2.361) ( 0.15, 0.10, 0.19) 248: angle ( 0.189, 3.946, 0.226) ( 0.190, 3.948, 0.228) ( 0.03, 0.05, 0.04) 248: strbnd ( 0.552, 0.973, 0.402) ( 0.551, 0.972, 0.402) ( 0.02, 0.16, 0.02) 250: angle ( 0.202, 7.188, -7.171) ( 0.204, 7.190, -7.169) ( 0.04, 0.03, 0.02) 250: strbnd ( 3.369, -1.380, -2.585) ( 3.367, -1.380, -2.585) ( 0.04, 0.05, 0.01) 250: torsion ( -0.244, 1.380, 2.916) ( -0.244, 1.381, 2.917) ( 0.00, 0.01, 0.00) 250: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.952, 7.510, 2.573) ( -0.952, 7.510, 2.573) ( 0.00, 0.00, 0.00) 250: electro ( 0.755, 3.009, 0.796) ( 0.755, 3.009, 0.796) ( 0.00, 0.00, 0.00) 250: 24 ( 0.041, 0.038, -0.066) ( 0.041, 0.040, -0.065) ( 0.00, 0.01, 0.01) 250: bond ( 0.060, 1.792, 1.597) ( 0.060, 1.794, 1.599) ( 0.00, 0.10, 0.09) 250: angle ( -3.575, -1.364, 1.663) ( -3.575, -1.363, 1.664) ( 0.02, 0.02, 0.02) 250: strbnd ( -0.521, 0.527, -1.117) ( -0.521, 0.527, -1.117) ( 0.00, 0.00, 0.00) 250: torsion ( 0.220, 0.007, -0.016) ( 0.220, 0.007, -0.016) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.856, -0.925, -2.194) ( 3.857, -0.925, -2.194) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( 0.066, -0.058, -0.075) ( 0.072, -0.052, -0.069) ( 0.04, 0.03, 0.04) 250: bond (-13.633, 0.941, 12.416) (-13.629, 0.945, 12.421) ( 0.03, 0.39, 0.04) 250: angle ( 2.350, 2.416, -9.408) ( 2.353, 2.418, -9.406) ( 0.09, 0.08, 0.02) 250: strbnd ( 0.055, 4.163, -0.501) ( 0.054, 4.162, -0.502) ( 0.00, 0.03, 0.04) 250: torsion ( 2.065, -2.248, 1.183) ( 2.065, -2.248, 1.183) ( 0.00, 0.00, 0.01) 250: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 6.223, -3.991, -2.667) ( 6.223, -3.991, -2.667) ( 0.00, 0.00, 0.00) 250: electro ( 3.006, -1.338, -1.097) ( 3.006, -1.338, -1.097) ( 0.00, 0.00, 0.00) 250: 26 ( -0.052, -0.091, -0.008) ( -0.051, -0.090, -0.005) ( 0.00, 0.01, 0.00) 250: bond ( -0.508, 1.114, -2.671) ( -0.508, 1.115, -2.668) ( 0.01, 0.04, 0.10) 250: angle ( -3.386, -1.138, 0.169) ( -3.386, -1.138, 0.170) ( 0.02, 0.04, 0.00) 250: strbnd ( -0.285, 1.027, 0.757) ( -0.285, 1.027, 0.757) ( 0.00, 0.00, 0.00) 250: torsion ( -0.517, 0.425, 0.276) ( -0.517, 0.425, 0.276) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.645, -1.519, 1.461) ( 4.645, -1.518, 1.461) ( 0.00, 0.01, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 27 ( -0.053, 0.087, 0.044) ( -0.047, 0.093, 0.047) ( 0.03, 0.05, 0.01) 250: bond (-15.148, -5.941, -10.039) (-15.143, -5.937, -10.037) ( 0.03, 0.08, 0.02) 250: angle ( -5.200, -8.059, 8.744) ( -5.198, -8.058, 8.745) ( 0.03, 0.02, 0.02) 250: strbnd ( -1.543, -1.202, 1.549) ( -1.544, -1.203, 1.548) ( 0.04, 0.04, 0.03) 250: torsion ( -0.831, 0.963, -3.227) ( -0.831, 0.963, -3.226) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 6.577, 4.313, -0.037) ( 6.577, 4.313, -0.037) ( 0.00, 0.00, 0.00) 250: electro ( 16.093, 10.014, 3.054) ( 16.093, 10.014, 3.054) ( 0.00, 0.00, 0.00) 250: 28 ( 0.001, 0.014, -0.042) ( 0.002, 0.015, -0.039) ( 0.00, 0.00, 0.01) 250: bond ( 0.463, -1.202, 2.694) ( 0.464, -1.202, 2.697) ( 0.00, 0.05, 0.10) 250: angle ( 0.035, -0.321, -0.149) ( 0.036, -0.320, -0.149) ( 0.00, 0.01, 0.00) 250: strbnd ( -0.222, -0.567, -1.132) ( -0.222, -0.567, -1.132) ( 0.00, 0.00, 0.00) 250: torsion ( 0.438, -1.586, -0.782) ( 0.438, -1.586, -0.782) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.714, 3.690, -0.674) ( -0.714, 3.690, -0.674) ( 0.00, 0.00, 0.00) 248: torsion ( 1.469, -0.111, -0.152) ( 1.469, -0.111, -0.152) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.779, 1.527, -7.078) ( -3.779, 1.527, -7.078) ( 0.00, 0.00, 0.00) 248: electro ( 2.292, -1.482, 4.326) ( 2.292, -1.482, 4.326) ( 0.00, 0.00, 0.00) 248: 35 ( 0.303, 0.212, 0.053) ( 0.304, 0.213, 0.055) ( 0.04, 0.01, 0.01) 248: bond ( 0.249, 0.013, 0.448) ( 0.250, 0.013, 0.451) ( 0.02, 0.00, 0.12) 248: angle ( 0.291, 0.661, -0.181) ( 0.291, 0.662, -0.181) ( 0.01, 0.04, 0.00) 248: strbnd ( -0.215, -0.451, -0.159) ( -0.215, -0.451, -0.159) ( 0.00, 0.00, 0.00) 248: torsion ( 0.017, -0.004, -0.009) ( 0.017, -0.004, -0.009) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.039, -0.007, -0.046) ( -0.039, -0.007, -0.046) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 36 ( 0.432, 0.172, 0.118) ( 0.434, 0.174, 0.120) ( 0.05, 0.03, 0.02) 248: bond ( 0.425, -0.592, -0.547) ( 0.425, -0.590, -0.545) ( 0.03, 0.08, 0.07) 248: angle ( 1.840, -0.935, 2.446) ( 1.841, -0.935, 2.446) ( 0.02, 0.03, 0.01) 248: strbnd ( 0.155, -0.679, -0.026) ( 0.155, -0.679, -0.026) ( 0.00, 0.00, 0.00) 248: torsion ( -0.272, -0.056, -0.151) ( -0.272, -0.056, -0.151) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.715, 2.434, -1.604) ( -1.715, 2.434, -1.604) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 37 ( 0.355, -0.026, 0.062) ( 0.358, -0.025, 0.062) ( 0.11, 0.00, 0.00) 248: bond ( -0.517, -0.155, 0.092) ( -0.514, -0.155, 0.092) ( 0.16, 0.00, 0.00) 248: angle ( 0.968, -1.352, 3.151) ( 0.969, -1.351, 3.152) ( 0.01, 0.04, 0.01) 248: strbnd ( -0.412, -0.566, 0.270) ( -0.412, -0.566, 0.270) ( 0.00, 0.00, 0.00) 248: torsion ( -0.011, -0.098, -0.229) ( -0.011, -0.098, -0.229) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.326, 2.145, -3.222) ( 0.326, 2.145, -3.222) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 26 # gradients 248: ok 27 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 252: 1 ( 75.919, 23.900, -8.357) ( 75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) 252: bond ( 43.256, 7.487, -14.578) ( 43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) 252: angle ( -0.077, 0.026, -0.013) ( -0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) 252: strbnd ( 27.650, 7.696, -4.671) ( 27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) 252: torsion ( -0.018, 0.018, 0.030) ( -0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) 252: oop ( -0.004, 0.006, 0.012) ( -0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( 5.113, 8.667, 10.865) ( 5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 2 ( -0.007, 70.694, -37.613) ( 0.000, 70.701, -37.611) ( 0.00, 0.01, 0.01) 252: bond ( -0.003, 34.123, -31.161) ( 0.000, 34.128, -31.160) ( 0.00, 0.01, 0.00) 252: angle ( -0.002, 0.021, -0.051) ( 0.000, 0.022, -0.051) ( 0.00, 0.00, 0.00) 252: strbnd ( -0.001, 24.741, -15.277) ( -0.000, 24.742, -15.276) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.007, -0.022) ( 0.000, -0.006, -0.021) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.005, -0.010) ( 0.000, -0.005, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.000, 11.821, 8.908) ( 0.000, 11.821, 8.908) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( -0.007, -70.710, -37.613) ( -0.000, -70.701, -37.611) ( 0.00, 0.01, 0.01) 252: bond ( -0.003, -34.133, -31.161) ( 0.000, -34.128, -31.160) ( 0.00, 0.01, 0.00) 252: angle ( -0.002, -0.024, -0.051) ( 0.000, -0.022, -0.051) ( 0.00, 0.00, 0.00) 252: strbnd ( -0.001, -24.743, -15.277) ( 0.000, -24.742, -15.276) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, 0.006, -0.022) ( 0.000, 0.006, -0.021) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.005, -0.010) ( 0.000, 0.005, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.000, -11.821, 8.908) ( -0.000, -11.821, 8.908) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 4 ( 75.919, -23.913, -8.357) ( 75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) 252: bond ( 43.256, -7.494, -14.578) ( 43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) 252: angle ( -0.077, -0.029, -0.013) ( -0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) 252: strbnd ( 27.650, -7.698, -4.671) ( 27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) 252: torsion ( -0.018, -0.018, 0.030) ( -0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) 252: oop ( -0.004, -0.006, 0.012) ( -0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( 5.113, -8.667, 10.865) ( 5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 (-38.554, 47.292, -52.215) (-38.549, 47.297, -52.209) ( 0.01, 0.01, 0.01) 252: bond (-12.136, 26.876, -35.755) (-12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) 252: angle ( -0.007, 0.078, 0.012) ( -0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) 252: strbnd (-12.414, 17.157, -20.001) (-12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) 252: torsion ( 0.017, 0.014, -0.020) ( 0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( 0.005, 0.002, -0.006) ( 0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) 252: vdw (-14.019, 3.164, 3.556) (-14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 6 (-38.554, -47.306, -52.215) (-38.549, -47.297, -52.209) ( 0.01, 0.02, 0.01) 252: bond (-12.136, -26.884, -35.755) (-12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) 252: angle ( -0.007, -0.081, 0.012) ( -0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) 252: strbnd (-12.414, -17.160, -20.001) (-12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 29 ( 0.008, 0.030, 0.008) ( 0.008, 0.032, 0.009) ( 0.00, 0.01, 0.00) 250: bond ( -0.087, -1.217, -1.051) ( -0.087, -1.215, -1.050) ( 0.00, 0.16, 0.14) 250: angle ( -0.252, 0.112, -0.110) ( -0.251, 0.113, -0.110) ( 0.02, 0.00, 0.00) 250: strbnd ( 0.115, 0.045, 1.331) ( 0.115, 0.045, 1.331) ( 0.00, 0.00, 0.00) 250: torsion ( -0.210, 0.236, -0.255) ( -0.210, 0.236, -0.255) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.441, 0.855, 0.093) ( 0.441, 0.855, 0.093) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( -0.057, 0.017, 0.002) ( -0.054, 0.018, 0.002) ( 0.02, 0.00, 0.00) 250: bond ( -1.435, 0.851, -0.093) ( -1.433, 0.852, -0.093) ( 0.17, 0.08, 0.00) 250: angle ( -0.122, -0.244, -0.343) ( -0.122, -0.243, -0.342) ( 0.00, 0.01, 0.02) 250: strbnd ( 0.598, -0.582, 1.034) ( 0.598, -0.582, 1.034) ( 0.00, 0.00, 0.00) 250: torsion ( -0.027, -0.078, -0.298) ( -0.027, -0.078, -0.297) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.930, 0.070, -0.299) ( 0.930, 0.070, -0.299) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 31 ( 0.005, -0.020, 0.028) ( 0.006, -0.019, 0.031) ( 0.00, 0.00, 0.01) 250: bond ( 0.312, -0.902, 2.849) ( 0.312, -0.902, 2.852) ( 0.00, 0.03, 0.11) 250: angle ( -0.502, 0.107, 0.089) ( -0.501, 0.107, 0.089) ( 0.03, 0.01, 0.00) 250: strbnd ( -0.940, 0.677, -0.469) ( -0.940, 0.677, -0.469) ( 0.00, 0.00, 0.00) 250: torsion ( -1.235, 1.160, 0.502) ( -1.235, 1.160, 0.502) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.370, -1.062, -2.942) ( 2.370, -1.062, -2.942) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 32 ( 0.003, -0.016, -0.010) ( 0.005, -0.014, -0.009) ( 0.00, 0.00, 0.00) 250: bond ( -0.021, -0.018, 0.009) ( -0.019, -0.016, 0.009) ( 0.00, 0.00, 0.00) 250: angle ( -0.160, 0.222, 0.062) ( -0.160, 0.222, 0.062) ( 0.00, 0.01, 0.00) 250: strbnd ( -0.521, 0.030, -0.937) ( -0.521, 0.030, -0.938) ( 0.00, 0.00, 0.01) 250: torsion ( 0.592, -0.069, 1.057) ( 0.592, -0.069, 1.057) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.902, 0.369, 0.423) ( 0.902, 0.369, 0.423) ( 0.00, 0.00, 0.00) 250: electro ( -0.789, -0.550, -0.623) ( -0.789, -0.550, -0.623) ( 0.00, 0.00, 0.00) 250: 33 ( -0.030, -0.053, 0.105) ( -0.019, -0.047, 0.022) ( 0.03, 0.03, 0.87) 250: bond ( -1.616, -9.765, 0.189) ( -1.616, -9.756, 0.189) ( 0.01, 0.10, 0.00) 250: angle ( 20.636, -3.367, 2.623) ( 20.637, -3.367, 2.623) ( 0.00, 0.00, 0.00) 250: strbnd ( 0.680, 2.049, 0.006) ( 0.680, 2.049, 0.006) ( 0.00, 0.00, 0.00) 250: torsion ( -0.339, 0.113, 2.931) ( -0.339, 0.113, 2.931) ( 0.00, 0.00, 0.00) 250: oop ( -0.045, 0.015, 0.377) ( -0.035, 0.012, 0.294) ( 0.04, 0.00, 3.13) 250: vdw ( -3.314, -1.163, -1.055) ( -3.314, -1.163, -1.055) ( 0.00, 0.00, 0.00) 250: electro (-16.031, 12.066, -4.968) (-16.031, 12.066, -4.968) ( 0.00, 0.00, 0.00) 250: 34 ( 0.021, 0.161, 0.031) ( 0.031, 0.164, -0.005) ( 0.02, 0.05, 0.11) 250: bond ( -3.927, 2.786, -0.594) ( -3.921, 2.789, -0.594) ( 0.15, 0.13, 0.00) 250: angle ( 16.132, -2.853, 2.371) ( 16.132, -2.852, 2.372) ( 0.00, 0.05, 0.01) 250: strbnd ( -0.845, 3.072, -0.258) ( -0.845, 3.072, -0.258) ( 0.00, 0.01, 0.00) 248: 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85) 248: bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) 248: angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) 248: strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) 248: torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) 248: oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) 248: vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) 248: electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00) 248: 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52) 248: bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) 248: angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) 248: strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) 248: torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) 248: oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) 248: vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) 248: electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00) 248: 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25) 248: bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) 248: angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) 248: strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) 248: torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) 248: oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) 248: vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) 248: electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00) 248: 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29) 248: bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) 248: angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) 248: strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) 248: torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) 248: oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) 248: vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) 248: electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00) 248: 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75) 248: bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) 248: angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) 248: strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) 248: torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) 248: oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) 248: vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) 248: electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00) 248: 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13) 248: bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) 248: angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) 248: strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) 252: torsion ( 0.017, -0.014, -0.020) ( 0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( 0.005, -0.002, -0.006) ( 0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) 252: vdw (-14.019, -3.165, 3.556) (-14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 7 (-75.934, 23.900, -8.357) (-75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) 252: bond (-43.264, 7.487, -14.578) (-43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) 252: angle ( 0.075, 0.026, -0.013) ( 0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) 252: strbnd (-27.652, 7.696, -4.671) (-27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) 252: torsion ( 0.017, 0.018, 0.030) ( 0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) 252: oop ( 0.004, 0.006, 0.012) ( 0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -5.113, 8.667, 10.865) ( -5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 8 (-75.934, -23.913, -8.357) (-75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) 252: bond (-43.264, -7.494, -14.578) (-43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) 252: angle ( 0.075, -0.029, -0.013) ( 0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) 252: strbnd (-27.652, -7.698, -4.671) (-27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) 252: torsion ( 0.017, -0.018, 0.030) ( 0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) 252: oop ( 0.004, -0.006, 0.012) ( 0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -5.113, -8.667, 10.865) ( -5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 9 ( 47.292, 52.205, 38.542) ( 47.297, 52.209, 38.549) ( 0.01, 0.01, 0.02) 252: bond ( 26.876, 35.751, 12.130) ( 26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) 252: angle ( 0.078, -0.014, 0.005) ( 0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) 252: strbnd ( 17.157, 20.000, 12.412) ( 17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) 252: torsion ( 0.014, 0.019, -0.017) ( 0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) 252: oop ( 0.002, 0.006, -0.006) ( 0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 252: vdw ( 3.164, -3.556, 14.019) ( 3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 10 ( 8.348, 75.919, 23.900) ( 8.353, 75.928, 23.905) ( 0.06, 0.01, 0.02) 252: bond ( 14.575, 43.256, 7.487) ( 14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) 252: angle ( 0.011, -0.077, 0.026) ( 0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( 4.670, 27.650, 7.696) ( 4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) 252: torsion ( -0.031, -0.018, 0.018) ( -0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.012, -0.004, 0.006) ( -0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) 252: vdw (-10.865, 5.113, 8.667) (-10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 11 ( 8.348, -75.934, 23.900) ( 8.353, -75.928, 23.905) ( 0.06, 0.01, 0.02) 252: bond ( 14.575, -43.264, 7.487) ( 14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) 252: angle ( 0.011, 0.075, 0.026) ( 0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( 4.670, -27.652, 7.696) ( 4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) 252: torsion ( -0.031, 0.017, 0.018) ( -0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.012, 0.004, 0.006) ( -0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) 252: vdw (-10.865, -5.113, 8.667) (-10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 12 ( 47.292, -52.215, 38.542) ( 47.297, -52.209, 38.549) ( 0.01, 0.01, 0.02) 250: torsion ( 0.144, -0.049, -1.174) ( 0.144, -0.049, -1.173) ( 0.00, 0.00, 0.02) 250: oop ( -0.036, 0.013, 0.294) ( -0.031, 0.011, 0.258) ( 0.02, 0.00, 1.06) 250: vdw (-11.558, -6.965, 1.339) (-11.558, -6.965, 1.339) ( 0.00, 0.00, 0.00) 250: electro ( 0.110, 4.158, -1.948) ( 0.110, 4.158, -1.948) ( 0.00, 0.00, 0.00) 250: 35 ( -0.101, -0.084, -0.013) ( -0.097, -0.081, -0.013) ( 0.04, 0.02, 0.00) 250: bond ( 0.234, 0.187, 0.015) ( 0.238, 0.189, 0.015) ( 0.08, 0.04, 0.00) 250: angle ( -9.135, 11.640, -1.684) ( -9.135, 11.640, -1.684) ( 0.00, 0.00, 0.00) 250: strbnd ( -1.252, -0.773, -0.092) ( -1.252, -0.773, -0.092) ( 0.00, 0.00, 0.00) 250: torsion ( 0.050, -0.027, -0.452) ( 0.050, -0.027, -0.452) ( 0.00, 0.00, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.204, 0.155, -0.034) ( -0.204, 0.155, -0.034) ( 0.00, 0.00, 0.00) 250: electro ( 10.207, -11.265, 2.235) ( 10.207, -11.265, 2.235) ( 0.00, 0.00, 0.00) 250: 36 ( 0.023, -0.029, -0.012) ( 0.030, -0.025, -0.007) ( 0.01, 0.01, 0.01) 250: bond ( 1.340, -4.011, -2.272) ( 1.346, -4.008, -2.268) ( 0.45, 0.07, 0.18) 250: angle ( -1.289, 0.664, 1.982) ( -1.288, 0.666, 1.984) ( 0.08, 0.10, 0.10) 250: strbnd ( 0.232, -0.792, 0.487) ( 0.231, -0.793, 0.486) ( 0.02, 0.03, 0.03) 250: torsion ( -1.155, 0.195, -0.282) ( -1.155, 0.195, -0.282) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.717, 5.471, 0.093) ( 0.717, 5.471, 0.093) ( 0.00, 0.00, 0.00) 250: electro ( 0.179, -1.556, -0.020) ( 0.179, -1.556, -0.020) ( 0.00, 0.00, 0.00) 250: 37 ( 0.029, 0.043, -0.047) ( 0.034, 0.047, -0.041) ( 0.01, 0.02, 0.03) 250: bond ( 1.435, -3.700, -1.718) ( 1.438, -3.696, -1.713) ( 0.27, 0.10, 0.31) 250: angle ( 0.328, 0.545, 0.556) ( 0.329, 0.546, 0.558) ( 0.03, 0.08, 0.12) 250: strbnd ( -0.069, -0.300, 0.440) ( -0.069, -0.301, 0.439) ( 0.00, 0.01, 0.04) 250: torsion ( 0.956, 0.601, 0.479) ( 0.956, 0.601, 0.479) ( 0.01, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.832, 4.136, 0.355) ( -2.832, 4.136, 0.355) ( 0.00, 0.00, 0.00) 250: electro ( 0.210, -1.238, -0.159) ( 0.210, -1.238, -0.159) ( 0.00, 0.00, 0.00) 250: 38 ( -0.013, 0.017, -0.005) ( -0.012, 0.019, -0.003) ( 0.00, 0.00, 0.00) 250: bond ( 0.435, -0.767, 0.899) ( 0.435, -0.766, 0.901) ( 0.02, 0.11, 0.17) 250: angle ( 0.496, 0.229, -0.045) ( 0.496, 0.229, -0.045) ( 0.03, 0.00, 0.00) 250: strbnd ( -0.157, 0.213, -0.446) ( -0.157, 0.213, -0.446) ( 0.00, 0.00, 0.00) 250: torsion ( 0.563, -0.012, -0.282) ( 0.563, -0.012, -0.283) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.724, 0.200, 0.015) ( -0.724, 0.200, 0.015) ( 0.00, 0.00, 0.00) 250: electro ( -0.625, 0.154, -0.145) ( -0.625, 0.154, -0.145) ( 0.00, 0.00, 0.00) 250: 39 ( -0.005, -0.008, 0.012) ( -0.003, -0.007, 0.014) ( 0.00, 0.00, 0.00) 250: bond ( 0.863, 0.325, -0.866) ( 0.864, 0.325, -0.865) ( 0.15, 0.01, 0.15) 250: angle ( 0.432, -1.789, -0.241) ( 0.433, -1.789, -0.241) ( 0.01, 0.02, 0.01) 250: strbnd ( -0.148, -0.179, 0.111) ( -0.148, -0.179, 0.111) ( 0.00, 0.00, 0.00) 250: torsion ( 0.500, -0.248, 0.406) ( 0.500, -0.248, 0.406) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.310, 2.013, 0.436) ( -1.310, 2.013, 0.436) ( 0.00, 0.00, 0.00) 250: electro ( -0.342, -0.130, 0.167) ( -0.342, -0.130, 0.167) ( 0.00, 0.00, 0.00) 248: torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) 248: oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) 248: vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) 248: electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00) 248: 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51) 248: bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) 248: angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) 248: strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) 248: torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) 248: oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) 248: vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) 248: electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00) 248: 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93) 248: bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) 248: angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) 248: strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) 248: torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) 248: oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) 248: vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) 248: electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00) 248: 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02) 248: bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) 248: angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) 248: strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) 248: torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) 248: electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00) 248: 10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31) 248: bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) 248: angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) 248: strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) 248: torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) 248: oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) 248: vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) 248: electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00) 248: 11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19) 248: bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) 248: angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) 248: strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) 248: torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) 248: oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) 248: vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) 248: electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00) 248: 12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51) 250: 40 ( -0.029, -0.039, 0.034) ( -0.028, -0.036, 0.035) ( 0.00, 0.01, 0.00) 250: bond ( -0.592, -0.813, 0.455) ( -0.591, -0.811, 0.456) ( 0.06, 0.16, 0.03) 250: angle ( -0.349, 0.064, -0.339) ( -0.348, 0.064, -0.339) ( 0.01, 0.00, 0.02) 250: strbnd ( 0.254, 0.177, -0.194) ( 0.254, 0.177, -0.194) ( 0.00, 0.00, 0.00) 250: torsion ( -0.231, -0.135, -0.540) ( -0.231, -0.135, -0.540) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.504, 0.376, 0.413) ( 0.504, 0.376, 0.413) ( 0.00, 0.00, 0.00) 250: electro ( 0.385, 0.292, 0.238) ( 0.385, 0.292, 0.238) ( 0.00, 0.00, 0.00) 250: 41 ( 0.005, -0.012, 0.021) ( 0.005, -0.011, 0.024) ( 0.00, 0.00, 0.01) 250: bond ( -0.265, 0.213, -1.387) ( -0.265, 0.213, -1.384) ( 0.00, 0.00, 0.25) 250: angle ( -0.002, -0.794, -0.122) ( -0.001, -0.793, -0.122) ( 0.00, 0.04, 0.00) 250: strbnd ( 0.104, -0.149, 0.254) ( 0.104, -0.149, 0.254) ( 0.00, 0.00, 0.00) 250: torsion ( -0.534, -0.473, 0.029) ( -0.534, -0.473, 0.029) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.465, 1.537, 0.914) ( 0.465, 1.537, 0.914) ( 0.00, 0.00, 0.00) 250: electro ( 0.237, -0.346, 0.332) ( 0.237, -0.346, 0.332) ( 0.00, 0.00, 0.00) 250: 42 ( 0.013, 0.008, -0.041) ( 0.014, 0.009, -0.038) ( 0.00, 0.00, 0.01) 250: bond ( -1.424, -0.121, 4.422) ( -1.424, -0.120, 4.425) ( 0.03, 0.00, 0.07) 250: angle ( 0.750, -1.072, 0.212) ( 0.750, -1.071, 0.212) ( 0.02, 0.08, 0.00) 250: strbnd ( 0.500, -0.190, -1.471) ( 0.500, -0.190, -1.471) ( 0.00, 0.00, 0.00) 250: torsion ( -0.246, 0.662, -0.061) ( -0.246, 0.662, -0.061) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.074, 0.895, -1.822) ( -0.074, 0.895, -1.822) ( 0.00, 0.00, 0.00) 250: electro ( 0.507, -0.167, -1.321) ( 0.507, -0.167, -1.321) ( 0.00, 0.00, 0.00) 250: ok 24 # gradients 250: ok 25 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 252: bond ( 26.876, -35.755, 12.130) ( 26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) 252: angle ( 0.078, 0.012, 0.005) ( 0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) 252: strbnd ( 17.157, -20.001, 12.412) ( 17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) 252: torsion ( 0.014, -0.020, -0.017) ( 0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) 252: oop ( 0.002, -0.006, -0.006) ( 0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) 252: vdw ( 3.164, 3.556, 14.019) ( 3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 ( 52.205, -38.554, -47.306) ( 52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) 252: bond ( 35.751, -12.136, -26.884) ( 35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) 252: angle ( -0.014, -0.007, -0.081) ( -0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) 252: strbnd ( 20.000, -12.414, -17.160) ( 20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) 252: torsion ( 0.019, 0.017, -0.014) ( 0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, 0.005, -0.002) ( 0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( -3.556, -14.019, -3.165) ( -3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 14 (-23.913, 8.348, -75.934) (-23.905, 8.353, -75.928) ( 0.03, 0.06, 0.01) 252: bond ( -7.494, 14.575, -43.264) ( -7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) 252: angle ( -0.029, 0.011, 0.075) ( -0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( -7.698, 4.670, -27.652) ( -7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) 252: torsion ( -0.018, -0.031, 0.017) ( -0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, -0.012, 0.004) ( -0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) 252: vdw ( -8.667, -10.865, -5.113) ( -8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 15 ( 52.205, -38.554, 47.292) ( 52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) 252: bond ( 35.751, -12.136, 26.876) ( 35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) 252: angle ( -0.014, -0.007, 0.078) ( -0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) 252: strbnd ( 20.000, -12.414, 17.157) ( 20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) 252: torsion ( 0.019, 0.017, 0.014) ( 0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, 0.005, 0.002) ( 0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( -3.556, -14.019, 3.164) ( -3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 16 (-70.710, 37.607, -0.007) (-70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) 252: bond (-34.133, 31.159, -0.003) (-34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) 252: angle ( -0.024, 0.050, -0.002) ( -0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) 252: strbnd (-24.743, 15.275, -0.001) (-24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( 0.006, 0.020, -0.000) ( 0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( 0.005, 0.010, -0.000) ( 0.005, 0.011, -0.000) ( 0.00, 0.00, 0.00) 252: vdw (-11.821, -8.908, -0.000) (-11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 17 ( 38.542, -47.306, -52.215) ( 38.549, -47.297, -52.209) ( 0.02, 0.02, 0.01) 252: bond ( 12.130, -26.884, -35.755) ( 12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) 252: angle ( 0.005, -0.081, 0.012) ( 0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) 252: strbnd ( 12.412, -17.160, -20.001) ( 12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) 252: torsion ( -0.017, -0.014, -0.020) ( -0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, -0.002, -0.006) ( -0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) 248: bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) 248: angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) 248: strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) 248: torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) 248: oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) 248: vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) 248: electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00) 248: 13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32) 248: bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) 248: angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) 248: strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) 248: torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) 248: oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) 248: electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00) 248: 14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04) 248: bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) 248: angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) 248: strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) 248: torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) 248: oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) 248: vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) 248: electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00) 248: 15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03) 248: bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) 248: angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) 248: strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) 248: torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) 248: oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 248: vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) 248: electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00) 248: 16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13) 248: bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) 248: angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) 248: strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) 248: torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) 248: oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) 248: vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) 248: electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00) 248: 17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58) 248: bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) 248: angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) 248: strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) 248: torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) 248: oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) 250: 1 ( 0.094, -0.054, 0.252) ( 0.101, -0.049, 0.257) ( 0.07, 0.03, 0.12) 250: bond ( 0.405, 3.441, 0.242) ( 0.412, 3.445, 0.242) ( 0.28, 0.13, 0.00) 250: angle ( -0.409, 0.650, -0.195) ( -0.408, 0.652, -0.195) ( 0.06, 0.11, 0.00) 250: strbnd ( -0.322, -4.041, -0.254) ( -0.322, -4.042, -0.254) ( 0.01, 0.03, 0.00) 250: torsion ( -0.032, -0.018, 0.320) ( -0.032, -0.018, 0.321) ( 0.00, 0.00, 0.03) 250: oop ( 0.002, 0.001, -0.014) ( 0.001, 0.001, -0.011) ( 0.00, 0.00, 0.01) 250: vdw ( -0.047, -0.020, -0.019) ( -0.047, -0.020, -0.019) ( 0.00, 0.00, 0.00) 250: electro ( 0.497, -0.068, 0.172) ( 0.497, -0.068, 0.172) ( 0.00, 0.00, 0.00) 250: 2 ( -0.202, -0.384, 0.053) ( -0.198, -0.377, 0.070) ( 0.09, 0.28, 0.09) 250: bond ( 3.541, -2.137, 0.264) ( 3.546, -2.131, 0.265) ( 0.15, 0.30, 0.00) 250: angle ( 1.746, 1.275, 0.298) ( 1.748, 1.277, 0.298) ( 0.10, 0.14, 0.00) 250: strbnd ( -2.090, 1.285, -0.146) ( -2.091, 1.285, -0.146) ( 0.05, 0.01, 0.00) 250: torsion ( 0.033, 0.016, -0.297) ( 0.034, 0.016, -0.296) ( 0.00, 0.00, 0.04) 250: oop ( 0.010, 0.005, -0.088) ( 0.009, 0.004, -0.072) ( 0.00, 0.00, 0.14) 250: vdw ( -3.041, -0.539, -0.132) ( -3.041, -0.539, -0.132) ( 0.00, 0.00, 0.00) 250: electro ( -0.403, -0.288, 0.154) ( -0.403, -0.288, 0.154) ( 0.00, 0.00, 0.00) 250: 3 ( -0.110, 0.062, 0.058) ( -0.093, 0.078, -0.064) ( 0.18, 0.10, 0.70) 250: bond ( 10.808, 8.532, 1.851) ( 10.812, 8.538, 1.851) ( 0.04, 0.07, 0.01) 250: angle ( -1.280, -12.576, -1.628) ( -1.278, -12.574, -1.628) ( 0.16, 0.02, 0.03) 250: strbnd ( -2.662, -2.231, -0.989) ( -2.662, -2.232, -0.989) ( 0.02, 0.03, 0.01) 250: torsion ( -0.153, 0.061, 1.120) ( -0.153, 0.061, 1.121) ( 0.00, 0.00, 0.09) 250: oop ( -0.073, -0.051, 0.782) ( -0.062, -0.043, 0.659) ( 0.08, 0.04, 9.60) 250: vdw ( -8.513, 7.070, -1.049) ( -8.513, 7.070, -1.049) ( 0.00, 0.00, 0.00) 250: electro ( 1.764, -0.743, -0.030) ( 1.764, -0.743, -0.030) ( 0.00, 0.00, 0.00) 250: 4 ( -0.088, -0.102, -0.382) ( -0.110, -0.122, -0.055) ( 0.20, 0.20, 12.48) 250: bond ( 20.270, -4.350, 1.475) ( 20.275, -4.343, 1.476) ( 0.02, 0.15, 0.01) 250: angle ( 12.458, 12.739, 3.115) ( 12.460, 12.741, 3.115) ( 0.02, 0.01, 0.01) 250: strbnd (-17.883, -3.513, -1.809) (-17.884, -3.514, -1.809) ( 0.01, 0.03, 0.00) 250: torsion ( 0.036, 0.065, -1.684) ( 0.036, 0.065, -1.683) ( 0.00, 0.00, 0.04) 250: oop ( 0.171, 0.149, -1.871) ( 0.143, 0.122, -1.545) ( 0.48, 0.40, 17.39) 250: vdw (-12.241, -4.949, 0.142) (-12.241, -4.949, 0.142) ( 0.00, 0.00, 0.00) 250: electro ( -2.899, -0.244, 0.249) ( -2.899, -0.244, 0.249) ( 0.00, 0.00, 0.00) 250: 5 ( -0.068, -0.017, -0.125) ( -0.065, -0.011, -0.110) ( 0.02, 0.01, 0.19) 250: bond ( 1.518, -21.327, -9.249) ( 1.522, -21.323, -9.244) ( 0.25, 0.02, 0.05) 250: angle ( -8.489, 14.472, 7.087) ( -8.487, 14.475, 7.088) ( 0.02, 0.02, 0.02) 250: strbnd ( 11.557, 1.653, 2.302) ( 11.556, 1.652, 2.302) ( 0.01, 0.05, 0.02) 250: torsion ( -0.182, 0.061, -1.411) ( -0.182, 0.061, -1.410) ( 0.00, 0.00, 0.02) 250: oop ( 0.005, 0.003, -0.040) ( 0.004, 0.002, -0.031) ( 0.00, 0.00, 0.04) 250: vdw ( -7.969, 3.574, 1.404) ( -7.968, 3.574, 1.404) ( 0.00, 0.00, 0.00) 250: electro ( 3.491, 1.548, -0.219) ( 3.491, 1.548, -0.219) ( 0.00, 0.00, 0.00) 250: 6 ( 0.024, -0.167, 0.098) ( 0.036, -0.156, 0.018) ( 0.03, 0.18, 0.79) 250: bond ( -9.999, -4.566, -1.383) ( -9.996, -4.563, -1.383) ( 0.03, 0.06, 0.00) 250: angle ( 0.723, -4.226, -0.076) ( 0.723, -4.225, -0.077) ( 0.04, 0.03, 0.00) 250: strbnd ( 12.551, 6.889, 1.807) ( 12.551, 6.889, 1.807) ( 0.00, 0.01, 0.00) 285: .......................... 285: ---------------------------------------------------------------------- 285: Ran 26 tests in 239.037s 285: 285: OK 280/333 Test #285: pytest_sym .......................................................................................... Passed 239.41 sec test 286 Start 286: pytest_smartssym 286: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testsmartssym.py" 286: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 286: Environment variables: 286: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 286: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 286: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 286: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 286: Test timeout computed to be: 1500 252: vdw ( 14.019, -3.165, 3.556) ( 14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 18 (-47.306, 52.205, 38.542) (-47.297, 52.209, 38.549) ( 0.02, 0.01, 0.02) 252: bond (-26.884, 35.751, 12.130) (-26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) 252: angle ( -0.081, -0.014, 0.005) ( -0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) 252: strbnd (-17.160, 20.000, 12.412) (-17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) 252: torsion ( -0.014, 0.019, -0.017) ( -0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) 252: oop ( -0.002, 0.006, -0.006) ( -0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) 252: vdw ( -3.165, -3.556, 14.019) ( -3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 19 (-23.913, 8.348, 75.919) (-23.905, 8.353, 75.928) ( 0.03, 0.06, 0.01) 252: bond ( -7.494, 14.575, 43.256) ( -7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) 252: angle ( -0.029, 0.011, -0.077) ( -0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( -7.698, 4.670, 27.650) ( -7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) 252: torsion ( -0.018, -0.031, -0.018) ( -0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, -0.012, -0.004) ( -0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) 252: vdw ( -8.667, -10.865, 5.113) ( -8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 ( 23.900, 8.348, -75.934) ( 23.905, 8.353, -75.928) ( 0.02, 0.06, 0.01) 252: bond ( 7.487, 14.575, -43.264) ( 7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) 252: angle ( 0.026, 0.011, 0.075) ( 0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( 7.696, 4.670, -27.652) ( 7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) 252: torsion ( 0.018, -0.031, 0.017) ( 0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, -0.012, 0.004) ( 0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 8.667, -10.865, -5.113) ( 8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 21 ( 38.542, 47.292, -52.215) ( 38.549, 47.297, -52.209) ( 0.02, 0.01, 0.01) 252: bond ( 12.130, 26.876, -35.755) ( 12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) 252: angle ( 0.005, 0.078, 0.012) ( 0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) 252: strbnd ( 12.412, 17.157, -20.001) ( 12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) 252: torsion ( -0.017, 0.014, -0.020) ( -0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, 0.002, -0.006) ( -0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 14.019, 3.164, 3.556) ( 14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 ( 37.607, -0.007, 70.694) ( 37.611, 0.000, 70.701) ( 0.01, 0.00, 0.01) 252: bond ( 31.159, -0.003, 34.123) ( 31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) 252: angle ( 0.050, -0.002, 0.021) ( 0.051, 0.000, 0.022) ( 0.00, 0.00, 0.00) 252: strbnd ( 15.275, -0.001, 24.741) ( 15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) 252: torsion ( 0.020, -0.000, -0.007) ( 0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) 252: oop ( 0.010, -0.000, -0.005) ( 0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( -8.908, -0.000, 11.821) ( -8.908, 0.000, 11.821) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( 52.205, 38.542, -47.306) ( 52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) 252: bond ( 35.751, 12.130, -26.884) ( 35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) 286: .... 286: ---------------------------------------------------------------------- 286: Ran 4 tests in 4.539s 286: 286: OK 281/333 Test #286: pytest_smartssym .................................................................................... Passed 4.63 sec test 287 Start 287: pytest_fastsearch 287: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testfastsearch.py" 287: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 287: Environment variables: 287: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 287: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 287: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 287: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 287: Test timeout computed to be: 1500 287: . 287: ---------------------------------------------------------------------- 287: Ran 1 test in 0.411s 287: 287: OK 282/333 Test #287: pytest_fastsearch ................................................................................... Passed 0.75 sec test 288 Start 288: pytest_unique 288: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testunique.py" 288: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 288: Environment variables: 288: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 288: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 288: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 288: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 288: Test timeout computed to be: 1500 288: . 288: ---------------------------------------------------------------------- 288: Ran 1 test in 1.430s 288: 288: OK 283/333 Test #288: pytest_unique ....................................................................................... Passed 1.77 sec test 289 Start 289: pytest_kekule 289: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testkekule.py" 289: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 289: Environment variables: 289: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 289: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 289: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 289: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 289: Test timeout computed to be: 1500 289: ... 289: ---------------------------------------------------------------------- 289: Ran 3 tests in 3.268s 289: 289: OK 284/333 Test #289: pytest_kekule ....................................................................................... Passed 3.59 sec test 290 Start 290: pytest_pdbformat 290: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testpdbformat.py" 290: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 290: Environment variables: 290: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 290: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 290: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 290: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 290: Test timeout computed to be: 1500 290: .. 290: ---------------------------------------------------------------------- 290: Ran 2 tests in 0.320s 290: 290: OK 285/333 Test #290: pytest_pdbformat .................................................................................... Passed 1.04 sec test 291 Start 291: pytest_RInChI 291: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testRInChI.py" 291: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 291: Environment variables: 291: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 291: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 291: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 291: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 291: Test timeout computed to be: 1500 248: vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) 248: electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00) 248: 18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48) 248: bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) 248: angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) 248: strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) 248: torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) 248: oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) 248: vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) 248: electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00) 248: 19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00) 248: bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) 248: angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) 248: strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) 248: torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) 248: oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) 248: vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) 248: electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00) 248: 20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94) 248: bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) 248: angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) 248: strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) 248: torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) 248: oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) 248: vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) 248: electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00) 248: 21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12) 248: bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) 248: angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) 248: strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) 248: torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) 248: oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) 248: vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) 248: electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00) 248: 22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01) 248: bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) 248: angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) 248: strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) 248: torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) 248: electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00) 248: 23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06) 248: bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) 250: torsion ( 0.080, 0.020, -0.668) ( 0.080, 0.020, -0.667) ( 0.00, 0.00, 0.01) 250: oop ( -0.057, -0.045, 0.532) ( -0.048, -0.038, 0.452) ( 0.05, 0.03, 4.28) 250: vdw ( -3.283, 1.455, -0.244) ( -3.283, 1.455, -0.244) ( 0.00, 0.00, 0.00) 250: electro ( 0.009, 0.307, 0.130) ( 0.009, 0.307, 0.130) ( 0.00, 0.00, 0.00) 250: 7 ( -0.002, 0.041, -0.083) ( 0.003, 0.047, -0.081) ( 0.00, 0.02, 0.02) 250: bond ( 10.203, 5.616, 25.277) ( 10.207, 5.620, 25.278) ( 0.04, 0.07, 0.00) 250: angle (-14.427, 4.571, -29.699) (-14.425, 4.572, -29.697) ( 0.01, 0.03, 0.01) 250: strbnd ( 1.147, -1.228, -0.703) ( 1.146, -1.229, -0.703) ( 0.05, 0.04, 0.03) 250: torsion ( 1.193, -0.605, -0.282) ( 1.193, -0.605, -0.282) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.912, 0.367, 4.636) ( 5.912, 0.367, 4.636) ( 0.00, 0.00, 0.00) 250: electro ( -4.030, -8.679, 0.687) ( -4.030, -8.679, 0.687) ( 0.00, 0.00, 0.00) 250: 8 ( -0.124, -0.019, -0.296) ( -0.123, -0.017, -0.295) ( 0.01, 0.01, 0.03) 250: bond ( -0.019, -0.836, 0.410) ( -0.019, -0.833, 0.411) ( 0.00, 0.23, 0.03) 250: angle ( 4.770, -0.609, -1.012) ( 4.771, -0.609, -1.012) ( 0.01, 0.01, 0.04) 250: strbnd ( 0.249, 0.128, -1.740) ( 0.249, 0.128, -1.740) ( 0.00, 0.00, 0.00) 250: torsion ( -0.173, -0.083, -0.176) ( -0.173, -0.083, -0.176) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.951, 1.380, 2.222) ( -4.951, 1.380, 2.222) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 9 ( -0.069, 0.131, -0.224) ( -0.068, 0.132, -0.221) ( 0.01, 0.01, 0.07) 250: bond ( -0.548, -0.489, -3.470) ( -0.548, -0.489, -3.467) ( 0.01, 0.00, 0.09) 250: angle ( 2.634, -1.083, -0.264) ( 2.635, -1.082, -0.264) ( 0.02, 0.05, 0.00) 250: strbnd ( 0.419, -1.396, 0.765) ( 0.419, -1.396, 0.765) ( 0.00, 0.00, 0.00) 250: torsion ( -0.167, -0.223, 0.058) ( -0.167, -0.223, 0.058) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.406, 3.323, 2.687) ( -2.406, 3.323, 2.687) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 10 ( -0.074, -0.055, -0.182) ( -0.069, -0.050, -0.177) ( 0.04, 0.03, 0.10) 250: bond (-15.381, 12.089, -12.058) (-15.377, 12.093, -12.053) ( 0.02, 0.04, 0.04) 250: angle ( 8.484, -11.406, 11.903) ( 8.487, -11.404, 11.904) ( 0.03, 0.02, 0.01) 250: strbnd ( 4.060, 9.673, 0.443) ( 4.059, 9.672, 0.443) ( 0.02, 0.01, 0.02) 250: torsion ( 1.330, -0.770, -1.490) ( 1.330, -0.769, -1.490) ( 0.01, 0.00, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.699, -11.336, 1.328) ( 1.699, -11.336, 1.328) ( 0.01, 0.00, 0.00) 250: electro ( -0.266, 1.694, -0.308) ( -0.266, 1.694, -0.308) ( 0.00, 0.00, 0.00) 250: 11 ( 0.037, -0.007, -0.105) ( 0.053, 0.011, -0.240) ( 0.06, 0.01, 1.41) 250: bond ( 9.639, 15.878, 4.037) ( 9.642, 15.883, 4.041) ( 0.04, 0.03, 0.11) 250: angle ( -9.172, -2.161, -6.458) ( -9.170, -2.158, -6.456) ( 0.02, 0.11, 0.02) 250: strbnd ( 1.149, -6.264, -0.982) ( 1.147, -6.265, -0.982) ( 0.10, 0.02, 0.04) 250: torsion ( -0.350, -0.442, 3.225) ( -0.350, -0.442, 3.225) ( 0.00, 0.00, 0.00) 250: oop ( -0.054, -0.059, 0.659) ( -0.042, -0.046, 0.518) ( 0.06, 0.07, 9.28) 250: vdw ( -0.242, -4.058, -0.450) ( -0.242, -4.058, -0.450) ( 0.00, 0.00, 0.00) 250: electro ( -0.932, -2.902, -0.135) ( -0.932, -2.902, -0.135) ( 0.00, 0.00, 0.00) 250: 12 ( 0.007, 0.058, -0.013) ( 0.009, 0.059, -0.013) ( 0.00, 0.01, 0.00) 252: angle ( -0.014, 0.005, -0.081) ( -0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) 252: strbnd ( 20.000, 12.412, -17.160) ( 20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) 252: torsion ( 0.019, -0.017, -0.014) ( 0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, -0.006, -0.002) ( 0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( -3.556, 14.019, -3.165) ( -3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( -8.357, -75.934, 23.900) ( -8.353, -75.928, 23.905) ( 0.04, 0.01, 0.02) 252: bond (-14.578, -43.264, 7.487) (-14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) 252: angle ( -0.013, 0.075, 0.026) ( -0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( -4.671, -27.652, 7.696) ( -4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) 252: torsion ( 0.030, 0.017, 0.018) ( 0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.012, 0.004, 0.006) ( 0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 10.865, -5.113, 8.667) ( 10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 (-23.913, -8.357, -75.934) (-23.905, -8.353, -75.928) ( 0.03, 0.04, 0.01) 252: bond ( -7.494, -14.578, -43.264) ( -7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) 252: angle ( -0.029, -0.013, 0.075) ( -0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( -7.698, -4.671, -27.652) ( -7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) 252: torsion ( -0.018, 0.030, 0.017) ( -0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, 0.012, 0.004) ( -0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) 252: vdw ( -8.667, 10.865, -5.113) ( -8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 (-47.306, -52.215, 38.542) (-47.297, -52.209, 38.549) ( 0.02, 0.01, 0.02) 252: bond (-26.884, -35.755, 12.130) (-26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) 252: angle ( -0.081, 0.012, 0.005) ( -0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) 252: strbnd (-17.160, -20.001, 12.412) (-17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) 252: torsion ( -0.014, -0.020, -0.017) ( -0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) 252: oop ( -0.002, -0.006, -0.006) ( -0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) 252: vdw ( -3.165, 3.556, 14.019) ( -3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 27 ( 52.205, 38.542, 47.292) ( 52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) 252: bond ( 35.751, 12.130, 26.876) ( 35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) 252: angle ( -0.014, 0.005, 0.078) ( -0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) 252: strbnd ( 20.000, 12.412, 17.157) ( 20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) 252: torsion ( 0.019, -0.017, 0.014) ( 0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, -0.006, 0.002) ( 0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( -3.556, 14.019, 3.164) ( -3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 28 (-70.710, -37.613, -0.007) (-70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) 252: bond (-34.133, -31.161, -0.003) (-34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) 252: angle ( -0.024, -0.051, -0.002) ( -0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) 252: strbnd (-24.743, -15.277, -0.001) (-24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( 0.006, -0.022, -0.000) ( 0.006, -0.021, -0.000) ( 0.00, 0.00, 0.00) 252: oop ( 0.005, -0.010, -0.000) ( 0.005, -0.011, -0.000) ( 0.00, 0.00, 0.00) 252: vdw (-11.821, 8.908, -0.000) (-11.821, 8.908, 0.000) ( 0.00, 0.00, 0.00) 291: .. 291: ---------------------------------------------------------------------- 291: Ran 2 tests in 5.256s 291: 291: OK 286/333 Test #291: pytest_RInChI ....................................................................................... Passed 5.60 sec test 292 Start 292: pybindtest_bindings 292: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testbindings.py" 292: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 292: Environment variables: 292: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 292: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 292: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 292: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 292: Test timeout computed to be: 1500 292: ....============================== 292: *** Open Babel Warning in WriteMolecule 292: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 292: ....============================== 292: *** Open Babel Warning in ParseSmiles 292: Too many greater-than signs in SMILES string 292: 292: ============================== 292: *** Open Babel Warning in ParseSmiles 292: Too many greater-than signs in SMILES string 292: 292: ============================== 292: *** Open Babel Warning in ParseSmiles 292: Too many greater-than signs in SMILES string 292: 292: ============================== 292: *** Open Babel Warning in ParseSmiles 292: Invalid reaction SMILES string: only a single '>' sign found (two required to be valid). 292: ============================== 292: *** Open Babel Warning in ParseSmiles 292: Invalid reaction SMILES string: only a single '>' sign found (two required to be valid). 292: ============================== 292: *** Open Babel Warning in ParseSmiles 292: Invalid reaction SMILES string: only a single '>' sign found (two required to be valid). 292: ..============================== 292: *** Open Babel Warning in IsValid 292: The molecule is not marked as a reaction. Use SetIsReaction(). 292: ============================== 292: *** Open Babel Warning in IsValid 292: Reaction roles should be in the range 0 to 3 inclusive. 292: ============================== 292: *** Open Babel Warning in IsValid 292: Reaction component Ids should all be non-zero positive integers. 292: ============================== 292: *** Open Babel Warning in IsValid 292: The molecule contains an atom that is missing a reaction component Id. Use SetComponentId(). 292: ============================== 292: *** Open Babel Warning in IsValid 292: A reaction component Id has been stored using a data type that is not an OBPairInteger. 292: ============================== 292: *** Open Babel Warning in IsValid 292: The molecule contains a connected component that contains atoms with different reaction component Ids. All atoms in a particular connected component should have the same value. 292: ============================== 292: *** Open Babel Warning in IsValid 292: The molecule contains a connected component that contains atoms with different reaction roles. All atoms in a particular connected component should have the same role. 292: ...........============================== 292: *** Open Babel Warning in ReadMolecule 292: WARNING: Problem interpreting the valence field of an atom 292: The valence field specifies a valence 0 that is 292: less than the observed explicit valence 1. 292: 292: .============================== 292: *** Open Babel Warning in WriteMolecule 292: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 292: ..Initial conformer count: 5 292: 22 attempts, 18 duplicates, 0 failed filter. 292: 0 0 292: 2 0 292: 2 1 292: 0 1 292: 0 2 292: 292: =====> Starting conformers search with a Genetic Algorithm <===== 292: Perform elitist generation replacement with mutation only 292: Mutation probability: 0.2 292: Will stop after 25 generations without improvement. 292: 292: Generation #1 0.591667 292: Generation #2 0.591667 292: Generation #3 0.591667 292: Generation #4 0.591667 292: Generation #5 0.591667 292: Generation #6 0.591667 292: Generation #7 0.591667 292: Generation #8 0.591667 292: Generation #9 0.591667 292: Generation #10 0.591667 292: Generation #11 0.591667 292: Generation #12 0.591667 292: Generation #13 0.591667 292: Generation #14 0.591667 292: Generation #15 0.591667 292: Generation #16 0.591667 292: Generation #17 0.591667 292: Generation #18 0.591667 292: Generation #19 0.591667 292: Generation #20 0.591667 292: Generation #21 0.591667 292: Generation #22 0.591667 292: Generation #23 0.591667 292: Generation #24 0.591667 292: Generation #25 0.591667 292: Generation #26 0.591667 292: 0 0 292: 1 1 292: 2 2 292: 2 0 292: 2 1 292: GetConformers: 292: 0 0 292: 1 1 292: 2 2 292: 2 0 292: 2 1 292: .Initial conformer count: 3 292: 5000 attempts, 4998 duplicates, 0 failed filter. 292: 0 292: 1 292: 2 292: 292: =====> Starting conformers search with a Genetic Algorithm <===== 292: Perform elitist generation replacement with mutation only 292: Mutation probability: 0.2 292: Will stop after 25 generations without improvement. 292: 292: Generation #1 82.5665 292: Generation #2 82.5665 292: Generation #3 82.5665 292: Generation #4 82.5665 292: Generation #5 82.5665 292: Generation #6 82.5665 292: Generation #7 82.5665 292: Generation #8 82.5665 292: Generation #9 82.5665 292: Generation #10 82.5665 292: Generation #11 82.5665 292: Generation #12 82.5665 292: Generation #13 82.5665 292: Generation #14 82.5665 292: Generation #15 82.5665 292: Generation #16 82.5665 292: Generation #17 82.5665 292: Generation #18 82.5665 292: Generation #19 82.5665 292: Generation #20 82.5665 292: Generation #21 82.5665 292: Generation #22 82.5665 292: Generation #23 82.5665 292: Generation #24 82.5665 292: Generation #25 82.5665 292: Generation #26 82.5665 292: 2 292: 1 292: 0 292: GetConformers: 292: 2 292: 1 292: 0 292: Initial conformer count: 5 292: 29 attempts, 25 duplicates, 0 failed filter. 292: 0 0 292: 0 2 292: 2 2 292: 2 1 292: 1 1 292: 292: =====> Starting conformers search with a Genetic Algorithm <===== 292: Perform elitist generation replacement with mutation only 292: Mutation probability: 0.2 292: Will stop after 25 generations without improvement. 292: 292: Generation #1 93.6167 292: Generation #2 93.6167 292: Generation #3 93.6167 292: Generation #4 93.6167 292: Generation #5 93.6167 292: Generation #6 93.6167 292: Generation #7 93.6167 292: Generation #8 93.6167 292: Generation #9 93.6167 292: Generation #10 93.6167 292: Generation #11 93.6167 292: Generation #12 93.6167 292: Generation #13 93.6167 292: Generation #14 93.6167 292: Generation #15 93.6167 292: Generation #16 93.6167 292: Generation #17 93.6167 292: Generation #18 93.6167 292: Generation #19 93.6167 292: Generation #20 93.6167 292: Generation #21 93.6167 292: Generation #22 93.6167 292: Generation #23 93.6167 292: Generation #24 93.6167 292: Generation #25 93.6167 292: Generation #26 93.6167 292: 2 2 292: 2 1 292: 1 2 292: 0 2 292: 2 0 292: GetConformers: 292: 2 2 292: 2 1 292: 1 2 292: 0 2 292: 2 0 292: .Initial conformer count: 5 292: 23 attempts, 19 duplicates, 0 failed filter. 292: 0 0 292: 2 0 292: 1 0 292: 1 1 292: 0 1 292: 292: =====> Starting conformers search with a Genetic Algorithm <===== 292: Perform elitist generation replacement with mutation only 292: Mutation probability: 0.2 292: Will stop after 25 generations without improvement. 292: 292: Generation #1 93.6168 292: Generation #2 93.6168 292: Generation #3 93.6168 292: Generation #4 93.6168 292: Generation #5 93.6168 292: Generation #6 93.6168 292: Generation #7 93.6168 292: Generation #8 93.6168 292: Generation #9 93.6168 292: Generation #10 93.6168 292: Generation #11 93.6168 292: Generation #12 93.6168 292: Generation #13 93.6168 292: Generation #14 93.6168 292: Generation #15 93.6168 292: Generation #16 93.6168 292: Generation #17 93.6168 292: Generation #18 93.6168 292: Generation #19 93.6168 292: Generation #20 93.6168 292: Generation #21 93.6168 292: Generation #22 93.6168 292: Generation #23 93.6168 292: Generation #24 93.6168 292: Generation #25 93.6168 292: Generation #26 93.6168 292: 2 2 292: 2 1 292: 1 2 292: 2 0 292: 0 2 292: GetConformers: 292: 2 2 292: 2 1 292: 1 2 292: 2 0 292: 0 2 292: .........============================== 292: *** Open Babel Error in ParseComplex 292: SMILES string contains a character '#' which is invalid 292: ============================== 292: *** Open Babel Error in ParseComplex 292: Element number must be <= 255) 292: ============================== 292: *** Open Babel Error in ParseComplex 292: SMILES string contains a character '#' which is invalid 292: ..============================== 292: *** Open Babel Warning in ParseRingBond 292: Warning: Tetrahedral stereo specified for atom with more than 4 connections. 292: ============================== 292: *** Open Babel Warning in ParseSmiles 292: Failed to kekulize aromatic SMILES 292: 248: angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) 248: strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) 248: torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) 248: oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) 248: vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) 248: electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00) 248: 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) 248: bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) 248: angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) 248: strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) 248: torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) 248: bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) 248: angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) 248: strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) 248: torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) 248: bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) 248: angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) 248: strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) 248: torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) 248: bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) 248: angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) 248: strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) 248: torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) 248: bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) 248: angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) 248: strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) 248: torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) 250: bond ( -1.070, 0.929, 0.454) ( -1.069, 0.931, 0.454) ( 0.16, 0.12, 0.01) 250: angle ( 4.468, 5.608, -0.977) ( 4.468, 5.608, -0.977) ( 0.01, 0.01, 0.05) 250: strbnd ( 0.788, -0.295, -1.704) ( 0.788, -0.295, -1.704) ( 0.00, 0.00, 0.00) 250: torsion ( -0.551, -1.028, 0.811) ( -0.551, -1.028, 0.811) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.628, -5.157, 1.404) ( -3.628, -5.157, 1.404) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 ( -0.120, 0.039, -0.037) ( -0.119, 0.040, -0.033) ( 0.01, 0.00, 0.01) 250: bond ( -0.328, -0.292, -3.901) ( -0.328, -0.292, -3.897) ( 0.00, 0.00, 0.08) 250: angle ( -0.446, 1.585, -0.081) ( -0.446, 1.585, -0.081) ( 0.02, 0.04, 0.00) 250: strbnd ( -0.722, 1.212, 0.784) ( -0.722, 1.212, 0.784) ( 0.00, 0.00, 0.00) 250: torsion ( -0.435, 1.492, -0.075) ( -0.435, 1.492, -0.075) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.812, -3.957, 3.236) ( 1.812, -3.957, 3.236) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 14 ( 0.067, 0.147, -0.288) ( 0.068, 0.148, -0.285) ( 0.00, 0.01, 0.08) 250: bond ( -0.175, 1.062, 2.357) ( -0.175, 1.063, 2.360) ( 0.00, 0.05, 0.12) 250: angle ( -0.080, -0.961, 0.427) ( -0.080, -0.961, 0.427) ( 0.00, 0.04, 0.00) 250: strbnd ( 0.554, 0.475, -1.094) ( 0.554, 0.475, -1.094) ( 0.00, 0.00, 0.00) 250: torsion ( -0.550, 1.444, -0.691) ( -0.550, 1.444, -0.691) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.318, -1.873, -1.287) ( 0.318, -1.873, -1.287) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 15 ( 0.046, -0.135, -0.333) ( 0.047, -0.133, -0.331) ( 0.00, 0.03, 0.06) 250: bond ( 0.373, 1.480, -1.330) ( 0.373, 1.482, -1.328) ( 0.00, 0.12, 0.11) 250: angle ( -2.004, 0.579, 0.084) ( -2.004, 0.580, 0.085) ( 0.03, 0.01, 0.00) 250: strbnd ( 0.258, 0.339, 0.948) ( 0.258, 0.339, 0.948) ( 0.00, 0.00, 0.00) 250: torsion ( 0.462, -0.620, -0.562) ( 0.462, -0.620, -0.562) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.958, -1.914, 0.528) ( 0.958, -1.914, 0.528) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 16 ( -0.222, -0.176, 0.346) ( -0.217, -0.175, 0.343) ( 0.09, 0.02, 0.10) 250: bond ( 0.758, -0.200, 0.086) ( 0.762, -0.200, 0.086) ( 0.28, 0.01, 0.00) 250: angle ( 0.078, 0.315, 0.044) ( 0.078, 0.315, 0.044) ( 0.00, 0.02, 0.00) 250: strbnd ( -0.224, 0.410, -0.006) ( -0.224, 0.410, -0.006) ( 0.00, 0.00, 0.00) 250: torsion ( -0.053, -0.023, 0.416) ( -0.053, -0.023, 0.416) ( 0.00, 0.00, 0.01) 250: oop ( -0.002, -0.001, 0.014) ( -0.001, -0.001, 0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.370, -0.087, -0.051) ( -0.370, -0.087, -0.051) ( 0.00, 0.00, 0.00) 250: electro ( -0.409, -0.590, -0.156) ( -0.409, -0.590, -0.156) ( 0.00, 0.00, 0.00) 250: 17 ( -0.172, -0.001, 0.210) ( -0.170, 0.003, 0.205) ( 0.02, 0.00, 0.11) 250: bond ( 0.202, -2.402, -0.106) ( 0.202, -2.398, -0.106) ( 0.00, 0.16, 0.00) 250: angle ( 0.155, 0.010, 0.062) ( 0.156, 0.010, 0.062) ( 0.01, 0.00, 0.00) 250: strbnd ( 0.312, 1.242, 0.101) ( 0.312, 1.242, 0.101) ( 0.00, 0.00, 0.00) 250: torsion ( -0.037, -0.018, 0.329) ( -0.037, -0.018, 0.329) ( 0.00, 0.00, 0.01) 250: oop ( -0.003, -0.001, 0.025) ( -0.002, -0.001, 0.019) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 29 ( 23.900, -8.357, -75.934) ( 23.905, -8.353, -75.928) ( 0.02, 0.04, 0.01) 252: bond ( 7.487, -14.578, -43.264) ( 7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) 252: angle ( 0.026, -0.013, 0.075) ( 0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( 7.696, -4.671, -27.652) ( 7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) 252: torsion ( 0.018, 0.030, 0.017) ( 0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, 0.012, 0.004) ( 0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 8.667, 10.865, -5.113) ( 8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( 70.694, 37.607, -0.007) ( 70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) 252: bond ( 34.123, 31.159, -0.003) ( 34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) 252: angle ( 0.021, 0.050, -0.002) ( 0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) 252: strbnd ( 24.741, 15.275, -0.001) ( 24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.007, 0.020, -0.000) ( -0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.005, 0.010, -0.000) ( -0.005, 0.011, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 11.821, -8.908, -0.000) ( 11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 31 ( 37.607, -0.007, -70.710) ( 37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) 252: bond ( 31.159, -0.003, -34.133) ( 31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) 252: angle ( 0.050, -0.002, -0.024) ( 0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) 252: strbnd ( 15.275, -0.001, -24.743) ( 15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) 252: torsion ( 0.020, -0.000, 0.006) ( 0.021, -0.000, 0.006) ( 0.00, 0.00, 0.00) 252: oop ( 0.010, -0.000, 0.005) ( 0.011, -0.000, 0.005) ( 0.00, 0.00, 0.00) 252: vdw ( -8.908, -0.000, -11.821) ( -8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 32 ( -8.357, 75.919, 23.900) ( -8.353, 75.928, 23.905) ( 0.04, 0.01, 0.02) 252: bond (-14.578, 43.256, 7.487) (-14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) 252: angle ( -0.013, -0.077, 0.026) ( -0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( -4.671, 27.650, 7.696) ( -4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) 252: torsion ( 0.030, -0.018, 0.018) ( 0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.012, -0.004, 0.006) ( 0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 10.865, 5.113, 8.667) ( 10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 33 (-23.913, -8.357, 75.919) (-23.905, -8.353, 75.928) ( 0.03, 0.04, 0.01) 252: bond ( -7.494, -14.578, 43.256) ( -7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) 252: angle ( -0.029, -0.013, -0.077) ( -0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( -7.698, -4.671, 27.650) ( -7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) 252: torsion ( -0.018, 0.030, -0.018) ( -0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, 0.012, -0.004) ( -0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) 252: vdw ( -8.667, 10.865, 5.113) ( -8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 34 ( 70.694, -37.613, -0.007) ( 70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) 252: bond ( 34.123, -31.161, -0.003) ( 34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) 252: angle ( 0.021, -0.051, -0.002) ( 0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) 252: strbnd ( 24.741, -15.277, -0.001) ( 24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) 248: bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) 248: angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) 248: strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) 248: torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) 248: bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) 248: angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) 248: strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) 248: torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) 248: bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) 248: angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) 248: strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) 248: torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) 248: bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) 248: angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) 248: strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) 248: torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) 248: bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) 248: angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) 248: strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) 248: torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) 248: bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) 248: angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) 248: strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) 250: vdw ( -0.532, 0.720, -0.009) ( -0.532, 0.720, -0.009) ( 0.00, 0.00, 0.00) 250: electro ( -0.269, 0.447, -0.192) ( -0.269, 0.447, -0.192) ( 0.00, 0.00, 0.00) 250: 18 ( -0.081, -0.033, -0.057) ( -0.060, -0.053, -0.067) ( 0.17, 0.07, 0.06) 250: bond ( -6.379, 0.928, -24.889) ( -6.375, 0.931, -24.885) ( 0.06, 0.30, 0.02) 250: angle ( 9.056, 0.616, 23.534) ( 9.058, 0.619, 23.536) ( 0.02, 0.14, 0.01) 250: strbnd ( -5.196, -2.586, -0.461) ( -5.197, -2.587, -0.462) ( 0.03, 0.04, 0.02) 250: torsion ( 1.569, -1.208, 0.648) ( 1.569, -1.208, 0.648) ( 0.00, 0.01, 0.00) 250: oop ( -0.120, 0.144, 0.106) ( -0.104, 0.120, 0.090) ( 0.19, 0.35, 0.17) 250: vdw ( 1.409, 4.724, -3.655) ( 1.409, 4.724, -3.655) ( 0.01, 0.00, 0.00) 250: electro ( -0.420, -2.651, 4.661) ( -0.420, -2.651, 4.661) ( 0.00, 0.00, 0.00) 250: 19 ( -0.058, 0.004, 0.349) ( -0.047, 0.015, 0.354) ( 0.06, 0.00, 0.19) 250: bond ( -2.284, 1.490, -1.564) ( -2.281, 1.492, -1.560) ( 0.13, 0.13, 0.31) 250: angle ( -1.097, -5.742, -2.880) ( -1.096, -5.741, -2.878) ( 0.12, 0.02, 0.06) 250: strbnd ( 3.814, -3.033, 2.137) ( 3.814, -3.033, 2.137) ( 0.01, 0.00, 0.01) 250: torsion ( 0.420, 0.671, -0.162) ( 0.420, 0.672, -0.162) ( 0.02, 0.04, 0.00) 250: oop ( -0.056, -0.065, 0.006) ( -0.050, -0.058, 0.005) ( 0.04, 0.05, 0.00) 250: vdw ( -0.306, 9.504, 2.421) ( -0.306, 9.504, 2.421) ( 0.01, 0.00, 0.00) 250: electro ( -0.549, -2.822, 0.391) ( -0.549, -2.822, 0.391) ( 0.00, 0.00, 0.00) 250: 20 ( 0.614, 0.560, 0.386) ( 0.502, 0.609, 0.460) ( 6.89, 2.73, 2.86) 250: bond ( -2.231, -20.883, 8.347) ( -2.227, -20.877, 8.352) ( 0.15, 0.03, 0.06) 250: angle ( -4.426, 15.205, -3.475) ( -4.426, 15.207, -3.473) ( 0.02, 0.01, 0.05) 250: strbnd ( -4.771, -2.312, -7.995) ( -4.772, -2.313, -7.996) ( 0.01, 0.04, 0.02) 250: torsion ( -2.925, 0.824, 1.217) ( -2.924, 0.824, 1.217) ( 0.01, 0.00, 0.00) 250: oop ( 0.652, -0.226, -0.380) ( 0.536, -0.185, -0.311) ( 7.57, 0.92, 2.60) 250: vdw ( 7.151, 3.310, 3.612) ( 7.151, 3.310, 3.612) ( 0.00, 0.00, 0.00) 250: electro ( 7.163, 4.641, -0.940) ( 7.163, 4.641, -0.940) ( 0.00, 0.00, 0.00) 250: 21 ( -0.124, -0.034, 0.051) ( -0.123, -0.033, 0.055) ( 0.01, 0.00, 0.02) 250: bond ( -0.235, -0.308, -2.219) ( -0.235, -0.308, -2.216) ( 0.00, 0.00, 0.15) 250: angle ( 4.698, -5.851, 0.315) ( 4.699, -5.850, 0.315) ( 0.01, 0.01, 0.00) 250: strbnd ( -0.581, -0.336, 1.443) ( -0.581, -0.336, 1.443) ( 0.00, 0.00, 0.00) 250: torsion ( -1.301, 0.144, 0.118) ( -1.301, 0.144, 0.118) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.704, 6.318, 0.395) ( -2.704, 6.318, 0.395) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 ( -0.190, -0.210, -0.397) ( -0.195, -0.220, -0.390) ( 0.10, 0.21, 0.27) 250: bond ( 7.110, -5.000, 16.974) ( 7.113, -4.998, 16.979) ( 0.05, 0.04, 0.03) 250: angle ( -2.542, 1.862, -6.168) ( -2.541, 1.862, -6.166) ( 0.04, 0.04, 0.03) 250: strbnd ( -2.998, 2.586, 2.923) ( -2.998, 2.586, 2.923) ( 0.00, 0.00, 0.01) 250: torsion ( 0.187, 0.206, 0.004) ( 0.187, 0.207, 0.004) ( 0.01, 0.02, 0.00) 250: oop ( 0.071, 0.090, -0.001) ( 0.060, 0.076, -0.000) ( 0.07, 0.12, 0.00) 250: vdw ( -3.409, 1.113, -13.213) ( -3.409, 1.113, -13.213) ( 0.00, 0.01, 0.00) 250: electro ( 1.392, -1.067, -0.917) ( 1.392, -1.067, -0.917) ( 0.00, 0.00, 0.00) 250: 23 ( -0.334, -0.228, 0.485) ( -0.328, -0.223, 0.493) ( 0.22, 0.13, 0.36) 250: bond ( -4.764, 3.427, 11.494) ( -4.760, 3.429, 11.499) ( 0.07, 0.06, 0.05) 252: torsion ( -0.007, -0.022, -0.000) ( -0.006, -0.021, 0.000) ( 0.00, 0.00, 0.00) 252: oop ( -0.005, -0.010, -0.000) ( -0.005, -0.011, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 11.821, 8.908, -0.000) ( 11.821, 8.908, -0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 35 (-52.215, 38.542, -47.306) (-52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) 252: bond (-35.755, 12.130, -26.884) (-35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) 252: angle ( 0.012, 0.005, -0.081) ( 0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) 252: strbnd (-20.001, 12.412, -17.160) (-20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) 252: torsion ( -0.020, -0.017, -0.014) ( -0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, -0.006, -0.002) ( -0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 3.556, 14.019, -3.165) ( 3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 36 (-52.215, 38.542, 47.292) (-52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) 252: bond (-35.755, 12.130, 26.876) (-35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) 252: angle ( 0.012, 0.005, 0.078) ( 0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) 252: strbnd (-20.001, 12.412, 17.157) (-20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) 252: torsion ( -0.020, -0.017, 0.014) ( -0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, -0.006, 0.002) ( -0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 3.556, 14.019, 3.164) ( 3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 37 (-37.613, -0.007, 70.694) (-37.611, -0.000, 70.701) ( 0.01, 0.00, 0.01) 252: bond (-31.161, -0.003, 34.123) (-31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) 252: angle ( -0.051, -0.002, 0.021) ( -0.051, -0.000, 0.022) ( 0.00, 0.00, 0.00) 252: strbnd (-15.277, -0.001, 24.741) (-15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) 252: torsion ( -0.022, -0.000, -0.007) ( -0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) 252: oop ( -0.010, -0.000, -0.005) ( -0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 8.908, -0.000, 11.821) ( 8.908, -0.000, 11.821) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 38 (-52.215, -38.554, -47.306) (-52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) 252: bond (-35.755, -12.136, -26.884) (-35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) 252: angle ( 0.012, -0.007, -0.081) ( 0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) 252: strbnd (-20.001, -12.414, -17.160) (-20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) 252: torsion ( -0.020, 0.017, -0.014) ( -0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, 0.005, -0.002) ( -0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 3.556, -14.019, -3.165) ( 3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 39 (-52.215, -38.554, 47.292) (-52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) 252: bond (-35.755, -12.136, 26.876) (-35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) 252: angle ( 0.012, -0.007, 0.078) ( 0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) 252: strbnd (-20.001, -12.414, 17.157) (-20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) 252: torsion ( -0.020, 0.017, 0.014) ( -0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) 252: oop ( -0.006, 0.005, 0.002) ( -0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 3.556, -14.019, 3.164) ( 3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04) 248: bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) 248: angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) 248: strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) 248: torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) 248: oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) 248: vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) 248: electro ( 0.674, 0.126, 0.022) ( 0.674, 0.126, 0.022) ( 0.00, 0.00, 0.00) 248: 36 ( -1.808, 0.308, -0.348) ( -1.805, 0.309, -0.348) ( 0.20, 0.02, 0.00) 248: bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) 248: angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) 248: strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) 248: torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) 248: electro ( 0.777, -0.150, 0.089) ( 0.777, -0.150, 0.089) ( 0.00, 0.00, 0.00) 248: 37 ( -1.444, 1.619, -0.423) ( -1.443, 1.622, -0.422) ( 0.07, 0.20, 0.08) 248: bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) 248: angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) 248: strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 248: oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) 248: vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) 248: electro ( -0.014, -0.594, 0.068) ( -0.014, -0.594, 0.068) ( 0.00, 0.00, 0.00) 248: 38 ( 0.288, 1.218, -0.020) ( 0.290, 1.221, -0.017) ( 0.05, 0.25, 0.01) 248: bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) 248: angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) 248: strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) 248: torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) 248: oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) 248: vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) 248: electro ( -1.298, 1.817, -0.456) ( -1.298, 1.817, -0.456) ( 0.00, 0.00, 0.00) 248: 39 ( 4.199, -12.580, 1.746) ( 4.207, -12.584, 1.687) ( 0.18, 0.03, 3.36) 248: bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) 248: angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) 248: strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) 248: torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) 248: oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) 248: vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) 248: electro ( -6.258, 3.484, -0.293) ( -6.258, 3.484, -0.293) ( 0.00, 0.00, 0.00) 248: ok 28 # gradients 248: ok 29 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 250: angle ( 1.122, -0.757, 2.811) ( 1.123, -0.756, 2.813) ( 0.09, 0.04, 0.06) 250: strbnd ( 2.035, -1.610, -1.356) ( 2.035, -1.610, -1.356) ( 0.01, 0.01, 0.01) 250: torsion ( -0.226, -0.307, 0.011) ( -0.225, -0.307, 0.011) ( 0.01, 0.03, 0.00) 250: oop ( -0.009, -0.013, -0.000) ( -0.008, -0.010, -0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.387, -0.990, -13.718) ( 1.387, -0.990, -13.718) ( 0.00, 0.00, 0.00) 250: electro ( 0.120, 0.021, 1.244) ( 0.120, 0.021, 1.244) ( 0.00, 0.00, 0.00) 250: 24 ( 0.020, -0.128, -0.527) ( 0.034, -0.112, -0.520) ( 0.03, 0.20, 0.37) 250: bond ( -7.605, 5.610, 5.554) ( -7.601, 5.612, 5.560) ( 0.05, 0.04, 0.10) 250: angle ( -1.737, 1.343, 0.082) ( -1.736, 1.343, 0.083) ( 0.06, 0.05, 0.01) 250: strbnd ( 0.340, -0.282, -1.073) ( 0.340, -0.282, -1.073) ( 0.00, 0.00, 0.02) 250: torsion ( 0.141, 0.176, 0.004) ( 0.142, 0.177, 0.004) ( 0.01, 0.01, 0.00) 250: oop ( -0.055, -0.073, -0.001) ( -0.046, -0.061, -0.001) ( 0.05, 0.09, 0.00) 250: vdw ( 9.119, -7.021, -4.701) ( 9.119, -7.021, -4.701) ( 0.00, 0.00, 0.00) 250: electro ( -0.183, 0.118, -0.392) ( -0.183, 0.118, -0.392) ( 0.00, 0.00, 0.00) 250: 25 ( 0.159, 0.213, 0.583) ( 0.143, 0.190, 0.589) ( 0.26, 0.50, 0.38) 250: bond (-11.078, 8.736, -4.694) (-11.074, 8.738, -4.688) ( 0.03, 0.02, 0.12) 250: angle ( 1.300, -0.887, -3.803) ( 1.301, -0.886, -3.801) ( 0.08, 0.06, 0.05) 250: strbnd ( 1.316, -0.991, 0.244) ( 1.316, -0.991, 0.244) ( 0.01, 0.01, 0.00) 250: torsion ( -0.076, -0.091, 0.002) ( -0.076, -0.090, 0.002) ( 0.00, 0.01, 0.00) 250: oop ( 0.140, 0.179, 0.005) ( 0.119, 0.152, 0.004) ( 0.30, 0.49, 0.00) 250: vdw ( 8.950, -6.944, 9.005) ( 8.950, -6.943, 9.005) ( 0.00, 0.00, 0.00) 250: electro ( -0.393, 0.211, -0.176) ( -0.393, 0.211, -0.176) ( 0.00, 0.00, 0.00) 250: 26 ( 0.084, 0.183, -0.225) ( 0.142, 0.255, -0.217) ( 0.48, 1.32, 0.18) 250: bond ( -0.944, 0.846, -18.247) ( -0.940, 0.848, -18.243) ( 0.30, 0.17, 0.02) 250: angle ( 7.126, -5.296, 3.718) ( 7.127, -5.296, 3.720) ( 0.01, 0.01, 0.05) 250: strbnd ( -7.430, 5.904, 0.945) ( -7.430, 5.904, 0.944) ( 0.00, 0.00, 0.05) 250: torsion ( -0.866, -1.152, -0.063) ( -0.866, -1.152, -0.063) ( 0.03, 0.06, 0.00) 250: oop ( -0.313, -0.407, -0.015) ( -0.261, -0.338, -0.012) ( 1.66, 2.81, 0.00) 250: vdw ( 3.069, -0.873, 13.253) ( 3.069, -0.873, 13.253) ( 0.00, 0.00, 0.00) 250: electro ( -0.557, 1.161, 0.184) ( -0.557, 1.161, 0.184) ( 0.00, 0.00, 0.00) 250: 27 ( -0.315, -0.428, 0.139) ( -0.314, -0.427, 0.141) ( 0.05, 0.03, 0.03) 250: bond ( 2.446, -1.770, 2.501) ( 2.447, -1.769, 2.503) ( 0.06, 0.04, 0.06) 250: angle ( -1.543, 1.181, 2.343) ( -1.543, 1.181, 2.344) ( 0.01, 0.01, 0.02) 250: strbnd ( -1.339, 0.977, -0.789) ( -1.339, 0.977, -0.789) ( 0.00, 0.00, 0.00) 250: torsion ( 0.988, 1.336, -0.022) ( 0.988, 1.336, -0.022) ( 0.01, 0.02, 0.00) 250: oop ( 0.002, 0.003, -0.000) ( 0.002, 0.002, -0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.259, -2.708, -3.410) ( 1.260, -2.708, -3.410) ( 0.00, 0.00, 0.00) 250: electro ( -2.129, 0.554, -0.484) ( -2.129, 0.554, -0.484) ( 0.00, 0.00, 0.00) 250: 28 ( 0.161, 0.473, -0.074) ( 0.162, 0.473, -0.072) ( 0.01, 0.00, 0.01) 250: bond ( -1.791, 1.438, -1.751) ( -1.790, 1.439, -1.750) ( 0.08, 0.07, 0.08) 250: angle ( -0.694, 0.523, 1.139) ( -0.694, 0.523, 1.139) ( 0.01, 0.00, 0.04) 250: strbnd ( 0.572, -0.470, 0.906) ( 0.572, -0.470, 0.906) ( 0.00, 0.00, 0.00) 250: torsion ( 0.222, 0.282, 0.005) ( 0.222, 0.283, 0.005) ( 0.00, 0.01, 0.00) 250: oop ( 0.006, 0.008, 0.000) ( 0.005, 0.007, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.510, -1.901, -1.427) ( 2.510, -1.901, -1.427) ( 0.00, 0.00, 0.00) 252: 40 ( 23.900, -8.357, 75.919) ( 23.905, -8.353, 75.928) ( 0.02, 0.04, 0.01) 252: bond ( 7.487, -14.578, 43.256) ( 7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) 252: angle ( 0.026, -0.013, -0.077) ( 0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( 7.696, -4.671, 27.650) ( 7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) 252: torsion ( 0.018, 0.030, -0.018) ( 0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, 0.012, -0.004) ( 0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 8.667, 10.865, 5.113) ( 8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 41 (-54.913, -35.524, -24.139) (-54.905, -35.518, -24.134) ( 0.02, 0.02, 0.02) 252: bond (-26.884, -35.755, -12.136) (-26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) 252: angle ( 8.310, 2.328, 1.428) ( 8.312, 2.330, 1.429) ( 0.02, 0.05, 0.09) 252: strbnd (-33.157, -3.794, -2.400) (-33.157, -3.793, -2.399) ( 0.00, 0.02, 0.04) 252: torsion ( -0.015, -1.854, 2.983) ( -0.015, -1.853, 2.983) ( 0.00, 0.03, 0.01) 252: oop ( -0.002, -0.006, 0.005) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 252: vdw ( -3.165, 3.556, -14.019) ( -3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 42 ( 3.504, 53.443, 17.121) ( 3.509, 53.448, 17.126) ( 0.15, 0.01, 0.02) 252: bond (-12.452, 26.530, 26.356) (-12.448, 26.533, 26.357) ( 0.04, 0.01, 0.01) 252: angle ( -9.977, -5.385, -2.072) ( -9.975, -5.383, -2.071) ( 0.02, 0.04, 0.05) 252: strbnd ( 29.601, 21.773, 10.437) ( 29.601, 21.772, 10.438) ( 0.00, 0.00, 0.00) 252: torsion ( 1.442, 1.853, -6.723) ( 1.442, 1.853, -6.722) ( 0.02, 0.02, 0.01) 252: oop ( 0.004, 0.006, -0.012) ( 0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -5.113, 8.667, -10.865) ( -5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 43 ( 47.292, -52.215, -38.554) ( 47.297, -52.209, -38.549) ( 0.01, 0.01, 0.01) 252: bond ( 26.876, -35.755, -12.136) ( 26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) 252: angle ( 0.078, 0.012, -0.007) ( 0.079, 0.013, -0.006) ( 0.01, 0.00, 0.00) 252: strbnd ( 17.157, -20.001, -12.414) ( 17.159, -20.000, -12.413) ( 0.01, 0.00, 0.01) 252: torsion ( 0.014, -0.020, 0.017) ( 0.014, -0.019, 0.017) ( 0.00, 0.00, 0.00) 252: oop ( 0.002, -0.006, 0.005) ( 0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 252: vdw ( 3.164, 3.556, -14.019) ( 3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 44 ( 8.348, 75.919, -23.913) ( 8.353, 75.928, -23.905) ( 0.06, 0.01, 0.03) 252: bond ( 14.575, 43.256, -7.494) ( 14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) 252: angle ( 0.011, -0.077, -0.029) ( 0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( 4.670, 27.650, -7.698) ( 4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) 252: torsion ( -0.031, -0.018, -0.018) ( -0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.012, -0.004, -0.006) ( -0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) 252: vdw (-10.865, 5.113, -8.667) (-10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 45 ( -8.357, 75.919, -23.913) ( -8.353, 75.928, -23.905) ( 0.04, 0.01, 0.03) 252: bond (-14.578, 43.256, -7.494) (-14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) 252: angle ( -0.013, -0.077, -0.029) ( -0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( -4.671, 27.650, -7.698) ( -4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) 252: torsion ( 0.030, -0.018, -0.018) ( 0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) 248: 1 (-37.071, -81.376, -8.715) (-37.065, -81.370, -8.711) ( 0.01, 0.01, 0.06) 248: bond ( -6.927, -6.224, 0.204) ( -6.923, -6.219, 0.208) ( 0.06, 0.08, 0.07) 248: angle (-43.402, -92.594, -5.039) (-43.401, -92.592, -5.037) ( 0.00, 0.00, 0.03) 248: strbnd ( 17.017, 19.808, -1.013) ( 17.017, 19.807, -1.014) ( 0.00, 0.00, 0.03) 248: torsion ( -0.140, 0.089, -0.286) ( -0.140, 0.089, -0.286) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.619, -2.454, -2.581) ( -3.619, -2.454, -2.581) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 2 (-39.440, 2.545, 50.699) (-39.434, 2.550, 50.705) ( 0.01, 0.18, 0.01) 248: bond ( 2.221, 0.743, -4.295) ( 2.225, 0.746, -4.291) ( 0.19, 0.23, 0.10) 248: angle (-30.186, 6.101, 43.460) (-30.184, 6.103, 43.462) ( 0.01, 0.03, 0.00) 248: strbnd ( -8.549, -6.318, 14.014) ( -8.550, -6.318, 14.014) ( 0.01, 0.01, 0.00) 248: torsion ( -0.634, -0.131, -0.999) ( -0.634, -0.131, -0.999) ( 0.00, 0.00, 0.01) 248: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.292, 2.150, -1.482) ( -2.292, 2.150, -1.482) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 3 ( -1.587, 40.280, -47.662) ( -1.722, 39.405, -48.005) ( 8.54, 2.17, 0.72) 248: bond ( -0.509, 0.513, -6.367) ( -0.504, 0.517, -6.364) ( 0.25, 0.20, 0.05) 248: angle ( 13.510, 14.854, -42.989) ( 13.512, 14.856, -42.987) ( 0.01, 0.01, 0.00) 248: strbnd (-14.490, 2.857, -6.469) (-14.491, 2.857, -6.469) ( 0.01, 0.01, 0.01) 248: torsion ( 0.820, 13.476, 6.086) ( 0.820, 13.476, 6.086) ( 0.00, 0.00, 0.00) 248: oop ( -0.965, 7.596, 5.726) ( -1.106, 6.716, 5.379) (13.62, 11.59, 6.06) 248: vdw ( 0.470, 0.645, -3.276) ( 0.471, 0.645, -3.276) ( 0.00, 0.00, 0.00) 248: electro ( -0.424, 0.339, -0.373) ( -0.424, 0.339, -0.373) ( 0.00, 0.00, 0.00) 248: 4 ( -3.751, 47.995, 62.741) ( -3.746, 48.001, 62.747) ( 0.14, 0.01, 0.01) 248: bond ( -1.086, 2.486, 9.511) ( -1.082, 2.490, 9.516) ( 0.33, 0.17, 0.05) 248: angle ( -4.863, 51.765, 70.840) ( -4.861, 51.767, 70.842) ( 0.04, 0.00, 0.00) 248: strbnd ( 4.026, -10.734, -19.678) ( 4.025, -10.735, -19.679) ( 0.01, 0.01, 0.00) 248: torsion ( 0.144, 0.700, -0.367) ( 0.144, 0.700, -0.367) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.972, 3.779, 2.435) ( -1.972, 3.779, 2.435) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 (-38.271, -131.602, -55.190) (-37.474, -129.364, -53.224) ( 2.08, 1.70, 3.56) 248: bond ( 8.677, -20.361, -12.122) ( 8.681, -20.358, -12.120) ( 0.05, 0.02, 0.02) 248: angle (-36.816, -71.485, 11.280) (-36.815, -71.484, 11.281) ( 0.00, 0.00, 0.01) 248: strbnd ( 12.873, -5.181, 7.752) ( 12.873, -5.181, 7.752) ( 0.00, 0.00, 0.01) 248: torsion (-12.225, -29.725, -36.119) (-12.225, -29.725, -36.119) ( 0.00, 0.00, 0.00) 248: oop ( -5.173, -18.341, -24.805) ( -4.382, -16.108, -22.842) (15.29, 12.17, 7.91) 248: vdw ( -5.982, 13.988, -1.401) ( -5.982, 13.988, -1.401) ( 0.00, 0.00, 0.00) 248: electro ( 0.375, -0.497, 0.224) ( 0.375, -0.497, 0.224) ( 0.00, 0.00, 0.00) 248: 6 ( 59.513, 60.458, 25.145) ( 58.727, 59.176, 24.316) ( 1.32, 2.12, 3.30) 248: bond ( -6.489, -13.464, 18.197) ( -6.484, -13.459, 18.199) ( 0.07, 0.03, 0.01) 248: angle ( 37.474, 50.266, -17.881) ( 37.475, 50.267, -17.880) ( 0.00, 0.00, 0.00) 248: strbnd ( -3.586, -8.839, 8.084) ( -3.586, -8.840, 8.084) ( 0.01, 0.00, 0.00) 250: electro ( -0.665, 0.593, 1.054) ( -0.665, 0.593, 1.054) ( 0.00, 0.00, 0.00) 250: 29 ( 0.385, 0.558, 0.067) ( 0.367, 0.535, 0.068) ( 0.68, 1.30, 0.01) 250: bond ( 0.302, -0.086, -3.852) ( 0.302, -0.086, -3.850) ( 0.00, 0.00, 0.06) 250: angle ( -6.191, 4.765, -0.593) ( -6.191, 4.765, -0.593) ( 0.00, 0.00, 0.00) 250: strbnd ( 0.076, 0.015, -2.804) ( 0.076, 0.015, -2.804) ( 0.00, 0.00, 0.00) 250: torsion ( 0.648, 0.848, 0.032) ( 0.648, 0.848, 0.032) ( 0.00, 0.01, 0.00) 250: oop ( 0.111, 0.143, 0.005) ( 0.093, 0.120, 0.005) ( 0.20, 0.34, 0.00) 250: vdw ( 5.741, -5.031, 8.170) ( 5.741, -5.031, 8.171) ( 0.00, 0.00, 0.00) 250: electro ( -0.302, -0.096, -0.891) ( -0.302, -0.096, -0.891) ( 0.00, 0.00, 0.00) 250: 30 ( -0.388, -0.464, -0.137) ( -0.390, -0.467, -0.134) ( 0.06, 0.11, 0.05) 250: bond ( -0.285, 0.192, 2.526) ( -0.284, 0.192, 2.529) ( 0.00, 0.00, 0.15) 250: angle ( 0.191, -0.141, 0.032) ( 0.191, -0.141, 0.032) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.092, 0.073, -0.831) ( -0.092, 0.073, -0.831) ( 0.00, 0.00, 0.00) 250: torsion ( -0.351, -0.466, -0.004) ( -0.351, -0.466, -0.004) ( 0.00, 0.01, 0.00) 250: oop ( 0.013, 0.017, 0.000) ( 0.011, 0.014, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.124, -0.078, -0.755) ( 0.124, -0.078, -0.755) ( 0.00, 0.00, 0.00) 250: electro ( 0.011, -0.061, -1.105) ( 0.011, -0.061, -1.105) ( 0.00, 0.00, 0.00) 250: 31 ( -0.193, 0.021, 0.101) ( -0.196, 0.016, 0.102) ( 0.05, 0.01, 0.01) 250: bond ( -1.807, 1.366, 0.917) ( -1.805, 1.368, 0.917) ( 0.11, 0.09, 0.05) 250: angle ( 0.005, 0.002, 0.007) ( 0.005, 0.002, 0.008) ( 0.00, 0.00, 0.00) 250: strbnd ( 0.452, -0.351, -0.140) ( 0.452, -0.351, -0.140) ( 0.00, 0.00, 0.00) 250: torsion ( -0.111, -0.144, -0.004) ( -0.110, -0.143, -0.004) ( 0.00, 0.00, 0.00) 250: oop ( 0.028, 0.036, 0.000) ( 0.023, 0.030, 0.000) ( 0.01, 0.02, 0.00) 250: vdw ( 0.558, -0.417, -0.304) ( 0.558, -0.417, -0.304) ( 0.00, 0.00, 0.00) 250: electro ( 0.682, -0.472, -0.376) ( 0.682, -0.472, -0.376) ( 0.00, 0.00, 0.00) 250: 32 ( -0.425, -0.505, -0.048) ( -0.365, -0.520, -0.079) ( 2.55, 0.73, 0.15) 250: bond ( -5.280, -7.572, -4.556) ( -5.277, -7.567, -4.554) ( 0.05, 0.06, 0.04) 250: angle ( -0.110, 0.279, -0.337) ( -0.110, 0.279, -0.337) ( 0.00, 0.01, 0.02) 250: strbnd ( 1.293, 1.229, 1.466) ( 1.293, 1.229, 1.466) ( 0.00, 0.01, 0.01) 250: torsion ( 1.739, -0.595, -1.027) ( 1.739, -0.595, -1.027) ( 0.00, 0.00, 0.00) 250: oop ( -0.260, 0.090, 0.151) ( -0.202, 0.070, 0.118) ( 1.49, 0.18, 0.50) 250: vdw ( 4.932, 0.142, 8.178) ( 4.933, 0.142, 8.178) ( 0.00, 0.00, 0.00) 250: electro ( -2.741, 5.922, -3.924) ( -2.741, 5.922, -3.924) ( 0.00, 0.00, 0.00) 250: 33 ( 0.059, 0.082, -0.083) ( 0.093, 0.076, -0.098) ( 0.20, 0.05, 0.12) 250: bond ( 4.715, 4.557, 6.062) ( 4.716, 4.560, 6.065) ( 0.02, 0.07, 0.06) 250: angle ( -7.689, -18.240, -5.025) ( -7.688, -18.238, -5.024) ( 0.01, 0.01, 0.01) 250: strbnd ( 3.295, -2.419, 7.181) ( 3.295, -2.419, 7.181) ( 0.00, 0.01, 0.00) 250: torsion ( -1.716, 0.412, 0.834) ( -1.716, 0.412, 0.834) ( 0.01, 0.00, 0.00) 250: oop ( -0.210, 0.072, 0.121) ( -0.178, 0.061, 0.103) ( 0.68, 0.08, 0.23) 250: vdw ( 1.937, 10.751, -6.247) ( 1.938, 10.752, -6.247) ( 0.00, 0.00, 0.00) 250: electro ( -0.274, 4.948, -3.009) ( -0.274, 4.948, -3.009) ( 0.00, 0.00, 0.00) 250: 34 ( 0.389, 0.093, 0.080) ( 0.395, 0.098, 0.086) ( 0.24, 0.05, 0.05) 250: bond ( -0.334, -4.761, 2.356) ( -0.329, -4.757, 2.361) ( 0.15, 0.10, 0.19) 250: angle ( 0.189, 3.946, 0.226) ( 0.190, 3.948, 0.228) ( 0.03, 0.05, 0.04) 250: strbnd ( 0.552, 0.973, 0.402) ( 0.551, 0.972, 0.402) ( 0.02, 0.16, 0.02) 252: oop ( 0.012, -0.004, -0.006) ( 0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 10.865, 5.113, -8.667) ( 10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 46 ( 8.348, -75.934, -23.913) ( 8.353, -75.928, -23.905) ( 0.06, 0.01, 0.03) 252: bond ( 14.575, -43.264, -7.494) ( 14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) 252: angle ( 0.011, 0.075, -0.029) ( 0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( 4.670, -27.652, -7.698) ( 4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) 252: torsion ( -0.031, 0.017, -0.018) ( -0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( -0.012, 0.004, -0.006) ( -0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) 252: vdw (-10.865, -5.113, -8.667) (-10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 47 (-38.554, -47.306, 52.205) (-38.549, -47.297, 52.209) ( 0.01, 0.02, 0.01) 252: bond (-12.136, -26.884, 35.751) (-12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) 252: angle ( -0.007, -0.081, -0.014) ( -0.006, -0.079, -0.013) ( 0.00, 0.01, 0.00) 252: strbnd (-12.414, -17.160, 20.000) (-12.413, -17.159, 20.000) ( 0.01, 0.01, 0.00) 252: torsion ( 0.017, -0.014, 0.019) ( 0.017, -0.014, 0.019) ( 0.00, 0.00, 0.00) 252: oop ( 0.005, -0.002, 0.006) ( 0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) 252: vdw (-14.019, -3.165, -3.556) (-14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 48 (-37.613, -0.007, -70.710) (-37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) 252: bond (-31.161, -0.003, -34.133) (-31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) 252: angle ( -0.051, -0.002, -0.024) ( -0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) 252: strbnd (-15.277, -0.001, -24.743) (-15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) 252: torsion ( -0.022, -0.000, 0.006) ( -0.021, 0.000, 0.006) ( 0.00, 0.00, 0.00) 252: oop ( -0.010, -0.000, 0.005) ( -0.011, 0.000, 0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 8.908, -0.000, -11.821) ( 8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 49 ( 23.900, 8.348, 75.919) ( 23.905, 8.353, 75.928) ( 0.02, 0.06, 0.01) 252: bond ( 7.487, 14.575, 43.256) ( 7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) 252: angle ( 0.026, 0.011, -0.077) ( 0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) 252: strbnd ( 7.696, 4.670, 27.650) ( 7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) 252: torsion ( 0.018, -0.031, -0.018) ( 0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.006, -0.012, -0.004) ( 0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 8.667, -10.865, 5.113) ( 8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 50 (-54.913, 35.514, -24.139) (-54.905, 35.518, -24.134) ( 0.02, 0.01, 0.02) 252: bond (-26.884, 35.751, -12.136) (-26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) 252: angle ( 8.310, -2.331, 1.428) ( 8.312, -2.330, 1.429) ( 0.02, 0.05, 0.09) 252: strbnd (-33.157, 3.792, -2.400) (-33.157, 3.793, -2.399) ( 0.00, 0.02, 0.04) 252: torsion ( -0.015, 1.852, 2.983) ( -0.015, 1.853, 2.983) ( 0.00, 0.03, 0.01) 252: oop ( -0.002, 0.006, 0.005) ( -0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) 252: vdw ( -3.165, -3.556, -14.019) ( -3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 51 ( -8.357, -75.934, -23.913) ( -8.353, -75.928, -23.905) ( 0.04, 0.01, 0.03) 252: bond (-14.578, -43.264, -7.494) (-14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) 292: .....============================== 292: *** Open Babel Error in ParseSimple 292: SMILES string contains a character ',' which is invalid 292: ============================== 292: *** Open Babel Error in ParseSimple 292: SMILES string contains a character ',' which is invalid 292: ============================== 292: *** Open Babel Error in ParseComplex 292: SMILES string contains a character ',' which is invalid 292: ============================== 292: *** Open Babel Error in ParseComplex 292: SMILES string contains a character ',' which is invalid 292: ============================== 292: *** Open Babel Warning in ParseComplex 292: The atom class following : must be a number 292: ============================== 292: *** Open Babel Error in ParseSimple 292: SMILES string contains a character ',' which is invalid 292: ============================== 292: *** Open Babel Warning in ParseRingBond 292: Two digits expected after % 292: ============================== 292: *** Open Babel Warning in ParseRingBond 292: Matching close parenthesis not found for ring closure number 292: ============================== 292: *** Open Babel Error in ParseSimple 292: SMILES string contains a character ',' which is invalid 292: ...........============================== 292: *** Open Babel Warning in ParseComplex 292: Charge can only be specified once 292: ============================== 292: *** Open Babel Warning in ParseComplex 292: Charge can only be specified once 292: ============================== 292: *** Open Babel Warning in ParseComplex 292: Charge can only be specified once 292: ============================== 292: *** Open Babel Warning in ParseComplex 292: Charge can only be specified once 292: ...============================== 292: *** Open Babel Warning in ReadMolecule 292: Ignoring mass difference field for explicit hydrogen isotope. 292: 0.0000 0.0000 0.0000 D 1 0 0 0 0 0 0 0 0 0 0 0 292: ============================== 292: *** Open Babel Warning in ReadMolecule 292: Ignoring mass difference field for explicit hydrogen isotope. 292: 0.0000 0.0000 0.0000 T 1 0 0 0 0 0 0 0 0 0 0 0 292: ============================== 292: *** Open Babel Warning in ReadMolecule 292: Invalid value for mass difference. It should be between -3 and 4. 292: 0.0000 0.0000 0.0000 C 5 0 0 0 0 0 0 0 0 0 0 0 292: ============================== 292: *** Open Babel Warning in ReadMolecule 292: Invalid value for mass difference. It should be between -3 and 4. 292: 0.0000 0.0000 0.0000 C -4 0 0 0 0 0 0 0 0 0 0 0 292: ..============================== 292: *** Open Babel Warning in WriteMolecule 292: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 292: F..============================== 292: *** Open Babel Warning in GetSmilesElement 292: Isotope value larger than 9999. Ignoring value. 292: ...============================== 292: *** Open Babel Warning in ParseComplex 292: Square planar stereochemistry must be one of SP1, SP2 or SP3 292: ============================== 292: *** Open Babel Warning in ParseComplex 292: Square planar stereochemistry must be one of SP1, SP2 or SP3 292: ============================== 292: *** Open Babel Warning in InsertSquarePlanarRef 292: Warning: Square planar stereo specified for atom with more than 4 connections. 292: ============================== 292: *** Open Babel Warning in InsertSquarePlanarRef 292: Warning: Square planar stereo specified for atom with more than 4 connections. 292: ..... 292: ====================================================================== 292: FAIL: testRegressionBenzene2D (__main__.TestSuite.testRegressionBenzene2D) 292: Check that benzene is given a correct layout, see #1900 292: ---------------------------------------------------------------------- 292: Traceback (most recent call last): 292: File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testbindings.py", line 736, in testRegressionBenzene2D 292: self.assertEqual(mol.write("mol")[24:], benzmol[24:]) 292: ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 292: AssertionError: '\n [37 chars]\n 0.8660 -0.5000 0.0000 C 0 0 0 [524 chars]ND\n' != '\n [37 chars]\n -0.8660 -0.5000 0.0000 C 0 0 0 [524 chars]ND\n' 292: Diff is 1017 characters long. Set self.maxDiff to None to see it. 292: 292: ---------------------------------------------------------------------- 292: Ran 69 tests in 62.669s 292: 292: FAILED (failures=1) 287/333 Test #292: pybindtest_bindings .................................................................................***Failed Error regular expression found in output. Regex=[FAIL] 63.37 sec ....============================== *** Open Babel Warning in WriteMolecule No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. ....============================== *** Open Babel Warning in ParseSmiles Too many greater-than signs in SMILES string ============================== *** Open Babel Warning in ParseSmiles Too many greater-than signs in SMILES string ============================== *** Open Babel Warning in ParseSmiles Too many greater-than signs in SMILES string ============================== *** Open Babel Warning in ParseSmiles Invalid reaction SMILES string: only a single '>' sign found (two required to be valid). ============================== *** Open Babel Warning in ParseSmiles Invalid reaction SMILES string: only a single '>' sign found (two required to be valid). ============================== *** Open Babel Warning in ParseSmiles Invalid reaction SMILES string: only a single '>' sign found (two required to be valid). ..============================== *** Open Babel Warning in IsValid The molecule is not marked as a reaction. Use SetIsReaction(). ============================== *** Open Babel Warning in IsValid Reaction roles should be in the range 0 to 3 inclusive. ============================== *** Open Babel Warning in IsValid Reaction component Ids should all be non-zero positive integers. ============================== *** Open Babel Warning in IsValid The molecule contains an atom that is missing a reaction component Id. Use SetComponentId(). ============================== *** Open Babel Warning in IsValid A reaction component Id has been stored using a data type that is not an OBPairInteger. ============================== *** Open Babel Warning in IsValid The molecule contains a connected component that contains atoms with different reaction component Ids. All atoms in a particular connected component should have the same value. ============================== *** Open Babel Warning in IsValid The molecule contains a connected component that contains atoms with different reaction roles. All atoms in a particular connected component should have the same role. ...........============================== *** Open Babel Warning in ReadMolecule WARNING: Problem interpreting the valence field of an atom The valence field specifies a valence 0 that is less than the observed explicit valence 1. .============================== *** Open Babel Warning in WriteMolecule No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. ..Initial conformer count: 5 22 attempts, 18 duplicates, 0 failed filter. 0 0 2 0 2 1 0 1 0 2 =====> Starting conformers search with a Genetic Algorithm <===== Perform elitist generation replacement with mutation only Mutation probability: 0.2 Will stop after 25 generations without improvement. Generation #1 0.591667 Generation #2 0.591667 Generation #3 0.591667 Generation #4 0.591667 Generation #5 0.591667 Generation #6 0.591667 Generation #7 0.591667 Generation #8 0.591667 Generation #9 0.591667 Generation #10 0.591667 Generation #11 0.591667 Generation #12 0.591667 Generation #13 0.591667 Generation #14 0.591667 Generation #15 0.591667 Generation #16 0.591667 Generation #17 0.591667 Generation #18 0.591667 Generation #19 0.591667 Generation #20 0.591667 Generation #21 0.591667 Generation #22 0.591667 Generation #23 0.591667 Generation #24 0.591667 Generation #25 0.591667 Generation #26 0.591667 0 0 1 1 2 2 2 0 2 1 GetConformers: 0 0 1 1 2 2 2 0 2 1 .Initial conformer count: 3 5000 attempts, 4998 duplicates, 0 failed filter. 0 1 2 =====> Starting conformers search with a Genetic Algorithm <===== Perform elitist generation replacement with mutation only Mutation probability: 0.2 Will stop after 25 generations without improvement. Generation #1 82.5665 Generation #2 82.5665 Generation #3 82.5665 Generation #4 82.5665 Generation #5 82.5665 Generation #6 82.5665 Generation #7 82.5665 Generation #8 82.5665 Generation #9 82.5665 Generation #10 82.5665 Generation #11 82.5665 Generation #12 82.5665 Generation #13 82.5665 Generation #14 82.5665 Generation #15 82.5665 Generation #16 82.5665 Generation #17 82.5665 Generation #18 82.5665 Generation #19 82.5665 Generation #20 82.5665 Generation #21 82.5665 Generation #22 82.5665 Generation #23 82.5665 Generation #24 82.5665 Generation #25 82.5665 Generation #26 82.5665 2 1 0 GetConformers: 2 1 0 Initial conformer count: 5 29 attempts, 25 duplicates, 0 failed filter. 0 0 0 2 2 2 2 1 1 1 =====> Starting conformers search with a Genetic Algorithm <===== Perform elitist generation replacement with mutation only Mutation probability: 0.2 Will stop after 25 generations without improvement. Generation #1 93.6167 Generation #2 93.6167 Generation #3 93.6167 Generation #4 93.6167 Generation #5 93.6167 Generation #6 93.6167 Generation #7 93.6167 Generation #8 93.6167 Generation #9 93.6167 Generation #10 93.6167 Generation #11 93.6167 Generation #12 93.6167 Generation #13 93.6167 Generation #14 93.6167 Generation #15 93.6167 Generation #16 93.6167 Generation #17 93.6167 Generation #18 93.6167 Generation #19 93.6167 Generation #20 93.6167 Generation #21 93.6167 Generation #22 93.6167 Generation #23 93.6167 Generation #24 93.6167 Generation #25 93.6167 Generation #26 93.6167 2 2 2 1 1 2 0 2 2 0 GetConformers: 2 2 2 1 1 2 0 2 2 0 .Initial conformer count: 5 23 attempts, 19 duplicates, 0 failed filter. 0 0 2 0 1 0 1 1 0 1 =====> Starting conformers search with a Genetic Algorithm <===== Perform elitist generation replacement with mutation only Mutation probability: 0.2 Will stop after 25 generations without improvement. Generation #1 93.6168 Generation #2 93.6168 Generation #3 93.6168 Generation #4 93.6168 Generation #5 93.6168 Generation #6 93.6168 Generation #7 93.6168 Generation #8 93.6168 Generation #9 93.6168 Generation #10 93.6168 Generation #11 93.6168 Generation #12 93.6168 Generation #13 93.6168 Generation #14 93.6168 Generation #15 93.6168 Generation #16 93.6168 Generation #17 93.6168 Generation #18 93.6168 Generation #19 93.6168 Generation #20 93.6168 Generation #21 93.6168 Generation #22 93.6168 Generation #23 93.6168 Generation #24 93.6168 Generation #25 93.6168 Generation #26 93.6168 2 2 2 1 1 2 2 0 0 2 GetConformers: 2 2 2 1 1 2 2 0 0 2 .........============================== *** Open Babel Error in ParseComplex SMILES string contains a character '#' which is invalid ============================== *** Open Babel Error in ParseComplex Element number must be <= 255) ============================== *** Open Babel Error in ParseComplex SMILES string contains a character '#' which is invalid ..============================== *** Open Babel Warning in ParseRingBond Warning: Tetrahedral stereo specified for atom with more than 4 connections. ============================== *** Open Babel Warning in ParseSmiles Failed to kekulize aromatic SMILES .....============================== *** Open Babel Error in ParseSimple SMILES string contains a character ',' which is invalid ============================== *** Open Babel Error in ParseSimple SMILES string contains a character ',' which is invalid ============================== *** Open Babel Error in ParseComplex SMILES string contains a character ',' which is invalid ============================== *** Open Babel Error in ParseComplex SMILES string contains a character ',' which is invalid ============================== *** Open Babel Warning in ParseComplex The atom class following : must be a number ============================== *** Open Babel Error in ParseSimple SMILES string contains a character ',' which is invalid ============================== *** Open Babel Warning in ParseRingBond Two digits expected after % ============================== *** Open Babel Warning in ParseRingBond Matching close parenthesis not found for ring closure number ============================== *** Open Babel Error in ParseSimple SMILES string contains a character ',' which is invalid ...........============================== *** Open Babel Warning in ParseComplex Charge can only be specified once ============================== *** Open Babel Warning in ParseComplex Charge can only be specified once ============================== *** Open Babel Warning in ParseComplex Charge can only be specified once ============================== *** Open Babel Warning in ParseComplex Charge can only be specified once ...============================== *** Open Babel Warning in ReadMolecule Ignoring mass difference field for explicit hydrogen isotope. 0.0000 0.0000 0.0000 D 1 0 0 0 0 0 0 0 0 0 0 0 ============================== *** Open Babel Warning in ReadMolecule Ignoring mass difference field for explicit hydrogen isotope. 0.0000 0.0000 0.0000 T 1 0 0 0 0 0 0 0 0 0 0 0 ============================== *** Open Babel Warning in ReadMolecule Invalid value for mass difference. It should be between -3 and 4. 0.0000 0.0000 0.0000 C 5 0 0 0 0 0 0 0 0 0 0 0 ============================== *** Open Babel Warning in ReadMolecule Invalid value for mass difference. It should be between -3 and 4. 0.0000 0.0000 0.0000 C -4 0 0 0 0 0 0 0 0 0 0 0 ..============================== *** Open Babel Warning in WriteMolecule No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. F..============================== *** Open Babel Warning in GetSmilesElement Isotope value larger than 9999. Ignoring value. ...============================== *** Open Babel Warning in ParseComplex Square planar stereochemistry must be one of SP1, SP2 or SP3 ============================== *** Open Babel Warning in ParseComplex Square planar stereochemistry must be one of SP1, SP2 or SP3 ============================== *** Open Babel Warning in InsertSquarePlanarRef Warning: Square planar stereo specified for atom with more than 4 connections. ============================== *** Open Babel Warning in InsertSquarePlanarRef Warning: Square planar stereo specified for atom with more than 4 connections. ..... ====================================================================== FAIL: testRegressionBenzene2D (__main__.TestSuite.testRegressionBenzene2D) Check that benzene is given a correct layout, see #1900 ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testbindings.py", line 736, in testRegressionBenzene2D self.assertEqual(mol.write("mol")[24:], benzmol[24:]) ~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: '\n [37 chars]\n 0.8660 -0.5000 0.0000 C 0 0 0 [524 chars]ND\n' != '\n [37 chars]\n -0.8660 -0.5000 0.0000 C 0 0 0 [524 chars]ND\n' Diff is 1017 characters long. Set self.maxDiff to None to see it. ---------------------------------------------------------------------- Ran 69 tests in 62.669s FAILED (failures=1) test 293 Start 293: pybindtest__pybel 293: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/test_pybel.py" 293: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 293: Environment variables: 293: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 293: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 293: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 293: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 293: Test timeout computed to be: 1500 250: torsion ( 1.469, -0.111, -0.152) ( 1.469, -0.111, -0.152) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.779, 1.527, -7.078) ( -3.779, 1.527, -7.078) ( 0.00, 0.00, 0.00) 250: electro ( 2.292, -1.482, 4.326) ( 2.292, -1.482, 4.326) ( 0.00, 0.00, 0.00) 250: 35 ( 0.303, 0.212, 0.053) ( 0.304, 0.213, 0.055) ( 0.04, 0.01, 0.01) 250: bond ( 0.249, 0.013, 0.448) ( 0.250, 0.013, 0.451) ( 0.02, 0.00, 0.12) 250: angle ( 0.291, 0.661, -0.181) ( 0.291, 0.662, -0.181) ( 0.01, 0.04, 0.00) 250: strbnd ( -0.215, -0.451, -0.159) ( -0.215, -0.451, -0.159) ( 0.00, 0.00, 0.00) 250: torsion ( 0.017, -0.004, -0.009) ( 0.017, -0.004, -0.009) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.039, -0.007, -0.046) ( -0.039, -0.007, -0.046) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 36 ( 0.432, 0.172, 0.118) ( 0.434, 0.174, 0.120) ( 0.05, 0.03, 0.02) 250: bond ( 0.425, -0.592, -0.547) ( 0.425, -0.590, -0.545) ( 0.03, 0.08, 0.07) 250: angle ( 1.840, -0.935, 2.446) ( 1.841, -0.935, 2.446) ( 0.02, 0.03, 0.01) 250: strbnd ( 0.155, -0.679, -0.026) ( 0.155, -0.679, -0.026) ( 0.00, 0.00, 0.00) 250: torsion ( -0.272, -0.056, -0.151) ( -0.272, -0.056, -0.151) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.715, 2.434, -1.604) ( -1.715, 2.434, -1.604) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 37 ( 0.355, -0.026, 0.062) ( 0.358, -0.025, 0.062) ( 0.11, 0.00, 0.00) 250: bond ( -0.517, -0.155, 0.092) ( -0.514, -0.155, 0.092) ( 0.16, 0.00, 0.00) 250: angle ( 0.968, -1.352, 3.151) ( 0.969, -1.351, 3.152) ( 0.01, 0.04, 0.01) 250: strbnd ( -0.412, -0.566, 0.270) ( -0.412, -0.566, 0.270) ( 0.00, 0.00, 0.00) 250: torsion ( -0.011, -0.098, -0.229) ( -0.011, -0.098, -0.229) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.326, 2.145, -3.222) ( 0.326, 2.145, -3.222) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 26 # gradients 250: ok 27 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 248: torsion ( 14.651, 15.387, 15.614) ( 14.652, 15.387, 15.614) ( 0.00, 0.00, 0.00) 248: oop ( 6.902, 8.223, 9.114) ( 6.110, 6.936, 8.282) (11.47, 15.66, 9.13) 248: vdw ( 10.851, 9.567, -8.214) ( 10.851, 9.567, -8.214) ( 0.00, 0.00, 0.00) 248: electro ( -0.290, -0.682, 0.230) ( -0.290, -0.682, 0.230) ( 0.00, 0.00, 0.00) 248: 7 (-98.956, -30.139, 2.983) (-97.624, -30.391, 3.584) ( 1.35, 0.84, 20.16) 248: bond (-36.725, -4.863, 0.794) (-36.719, -4.859, 0.795) ( 0.01, 0.08, 0.10) 248: angle (-40.863, -11.120, -0.055) (-40.862, -11.119, -0.054) ( 0.00, 0.01, 0.00) 248: strbnd (-15.761, -19.921, -0.231) (-15.761, -19.921, -0.231) ( 0.00, 0.00, 0.00) 248: torsion (-16.151, -0.989, 6.996) (-16.151, -0.989, 6.996) ( 0.00, 0.00, 0.01) 248: oop ( -6.016, 1.821, 0.042) ( -4.691, 1.564, 0.642) (22.03, 14.13, 2.51) 248: vdw ( 17.210, 4.832, -4.353) ( 17.210, 4.832, -4.353) ( 0.00, 0.00, 0.00) 248: electro ( -0.650, 0.102, -0.210) ( -0.650, 0.102, -0.210) ( 0.00, 0.00, 0.00) 248: 8 ( 42.185, -29.144, 98.083) ( 40.890, -28.721, 95.733) ( 3.07, 1.45, 2.40) 248: bond ( 0.216, 13.908, 14.316) ( 0.219, 13.913, 14.318) ( 0.06, 0.04, 0.01) 248: angle ( 11.911, -57.274, 71.476) ( 11.912, -57.273, 71.477) ( 0.01, 0.00, 0.00) 248: strbnd ( 12.084, 27.937, 5.019) ( 12.083, 27.936, 5.019) ( 0.00, 0.00, 0.00) 248: torsion ( 3.830, 0.035, -3.860) ( 3.830, 0.035, -3.861) ( 0.00, 0.00, 0.00) 248: oop ( 8.502, -2.885, 10.470) ( 7.204, -2.469, 8.117) (15.27, 14.44, 22.47) 248: vdw ( 7.198, -12.680, 2.190) ( 7.198, -12.679, 2.190) ( 0.00, 0.00, 0.00) 248: electro ( -1.556, 1.815, -1.528) ( -1.556, 1.815, -1.528) ( 0.00, 0.00, 0.00) 248: 9 ( 32.579, 54.117, -119.425) ( 31.952, 53.028, -118.703) ( 1.92, 2.01, 0.60) 248: bond ( 10.817, 9.746, -28.895) ( 10.820, 9.748, -28.889) ( 0.03, 0.02, 0.02) 248: angle ( 35.048, 51.699, -72.855) ( 35.049, 51.701, -72.854) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.568, -4.532, -8.148) ( 0.567, -4.532, -8.148) ( 0.01, 0.00, 0.00) 248: torsion ( -4.728, -6.617, -17.279) ( -4.728, -6.618, -17.279) ( 0.00, 0.01, 0.00) 248: oop ( 1.204, 5.714, -4.530) ( 0.573, 4.622, -3.815) (52.37, 19.12, 15.77) 248: vdw (-10.056, -2.512, 13.221) (-10.056, -2.512, 13.222) ( 0.00, 0.01, 0.00) 248: electro ( -0.274, 0.620, -0.940) ( -0.274, 0.620, -0.940) ( 0.00, 0.00, 0.00) 248: 10 ( -2.422, -19.944, 132.061) ( -2.392, -20.229, 130.455) ( 1.24, 1.43, 1.22) 248: bond ( 18.269, 6.335, 0.967) ( 18.273, 6.339, 0.970) ( 0.02, 0.07, 0.23) 248: angle (-27.608, -36.500, 84.948) (-27.607, -36.499, 84.949) ( 0.01, 0.00, 0.00) 248: strbnd ( 12.909, 2.314, -3.833) ( 12.909, 2.313, -3.833) ( 0.00, 0.02, 0.00) 248: torsion ( 5.991, 6.815, 25.602) ( 5.992, 6.815, 25.602) ( 0.00, 0.00, 0.00) 248: oop ( 0.582, 4.956, 14.815) ( 0.605, 4.666, 13.205) ( 1.37, 5.85, 10.86) 248: vdw (-13.143, -3.558, 9.953) (-13.143, -3.558, 9.953) ( 0.00, 0.00, 0.00) 248: electro ( 0.579, -0.306, -0.390) ( 0.579, -0.306, -0.390) ( 0.00, 0.00, 0.00) 248: 11 ( 47.658, -22.934, -63.453) ( 37.369, -23.638, -54.855) (21.59, 3.07, 13.55) 248: bond (-11.073, 2.546, -4.952) (-11.069, 2.550, -4.949) ( 0.04, 0.18, 0.08) 248: angle ( 14.987, -10.150, -58.721) ( 14.989, -10.148, -58.720) ( 0.01, 0.02, 0.00) 248: strbnd ( 17.268, -10.877, 11.808) ( 17.267, -10.878, 11.807) ( 0.00, 0.01, 0.01) 248: torsion ( 6.129, 3.198, 15.790) ( 6.129, 3.198, 15.790) ( 0.00, 0.00, 0.00) 248: oop ( 18.909, -6.132, -23.821) ( 8.614, -6.841, -15.228) (54.44, 11.57, 36.07) 248: vdw ( 1.389, -2.494, -1.281) ( 1.389, -2.494, -1.281) ( 0.00, 0.00, 0.00) 248: electro ( 0.050, 0.975, -2.276) ( 0.050, 0.975, -2.276) ( 0.00, 0.00, 0.00) 248: 12 ( 31.693, -14.126, -65.659) ( 31.699, -14.121, -65.654) ( 0.02, 0.04, 0.01) 252: angle ( -0.013, 0.075, -0.029) ( -0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) 252: strbnd ( -4.671, -27.652, -7.698) ( -4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) 252: torsion ( 0.030, 0.017, -0.018) ( 0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) 252: oop ( 0.012, 0.004, -0.006) ( 0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 10.865, -5.113, -8.667) ( 10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 52 ( 37.554, -49.775, 56.098) ( 37.561, -49.767, 56.102) ( 0.02, 0.02, 0.01) 252: bond ( 12.130, -26.884, 35.751) ( 12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) 252: angle ( 1.671, 3.010, 0.624) ( 1.672, 3.012, 0.625) ( 0.08, 0.05, 0.07) 252: strbnd ( 11.182, -22.719, 19.528) ( 11.183, -22.718, 19.529) ( 0.01, 0.00, 0.00) 252: torsion ( -1.441, -0.016, 3.746) ( -1.441, -0.015, 3.746) ( 0.03, 0.00, 0.02) 252: oop ( -0.006, -0.002, 0.006) ( -0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 14.019, -3.165, -3.556) ( 14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 53 ( 57.517, 33.960, 18.680) ( 57.526, 33.965, 18.684) ( 0.02, 0.02, 0.02) 252: bond ( 43.256, 7.487, 14.575) ( 43.260, 7.491, 14.577) ( 0.01, 0.04, 0.01) 252: angle ( -5.272, -6.052, -3.749) ( -5.270, -6.051, -3.748) ( 0.03, 0.03, 0.03) 252: strbnd ( 14.441, 25.672, 15.790) ( 14.443, 25.673, 15.791) ( 0.01, 0.00, 0.00) 252: torsion ( -0.018, -1.820, 2.940) ( -0.018, -1.820, 2.940) ( 0.00, 0.02, 0.02) 252: oop ( -0.004, 0.006, -0.012) ( -0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( 5.113, 8.667, -10.865) ( 5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 54 (-52.445, 20.194, 0.196) (-52.439, 20.201, 0.199) ( 0.01, 0.03, 0.06) 252: bond (-30.817, 15.080, 19.379) (-30.813, 15.086, 19.380) ( 0.01, 0.03, 0.00) 252: angle ( 5.186, 6.102, 3.821) ( 5.188, 6.103, 3.822) ( 0.04, 0.03, 0.02) 252: strbnd (-26.815, -14.634, -11.154) (-26.815, -14.635, -11.154) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, 1.831, -2.952) ( 0.001, 1.831, -2.951) ( 0.00, 0.01, 0.02) 252: oop ( -0.000, -0.005, 0.010) ( -0.000, -0.005, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.000, 11.821, -8.908) ( 0.000, 11.821, -8.908) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 55 ( 37.554, 49.762, 56.098) ( 37.561, 49.767, 56.102) ( 0.02, 0.01, 0.01) 252: bond ( 12.130, 26.876, 35.751) ( 12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) 252: angle ( 1.671, -3.013, 0.624) ( 1.672, -3.012, 0.625) ( 0.08, 0.05, 0.07) 252: strbnd ( 11.182, 22.717, 19.528) ( 11.183, 22.718, 19.529) ( 0.01, 0.00, 0.00) 252: torsion ( -1.441, 0.015, 3.746) ( -1.441, 0.015, 3.746) ( 0.03, 0.00, 0.02) 252: oop ( -0.006, 0.002, 0.006) ( -0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 14.019, 3.164, -3.556) ( 14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 56 (-38.554, 47.292, 52.205) (-38.549, 47.297, 52.209) ( 0.01, 0.01, 0.01) 252: bond (-12.136, 26.876, 35.751) (-12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) 252: angle ( -0.007, 0.078, -0.014) ( -0.006, 0.079, -0.013) ( 0.00, 0.01, 0.00) 252: strbnd (-12.414, 17.157, 20.000) (-12.413, 17.159, 20.000) ( 0.01, 0.01, 0.00) 252: torsion ( 0.017, 0.014, 0.019) ( 0.017, 0.014, 0.019) ( 0.00, 0.00, 0.00) 252: oop ( 0.005, 0.002, 0.006) ( 0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) 252: vdw (-14.019, 3.164, -3.556) (-14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) 250: 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85) 250: bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) 250: angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) 250: strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) 250: torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) 250: oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) 250: vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) 250: electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00) 250: 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52) 250: bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) 250: angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) 250: strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) 250: torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) 250: oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) 250: vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) 250: electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00) 250: 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25) 250: bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) 250: angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) 250: strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) 250: torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) 250: oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) 250: vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) 250: electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00) 250: 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29) 250: bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) 250: angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) 250: strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) 250: torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) 250: oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) 250: vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) 250: electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00) 250: 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75) 250: bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) 250: angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) 250: strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) 250: torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) 250: oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) 250: vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) 250: electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00) 250: 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13) 250: bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) 250: angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) 250: strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) 248: bond ( 4.025, -3.189, -9.311) ( 4.029, -3.185, -9.307) ( 0.10, 0.12, 0.05) 248: angle ( 35.137, -10.001, -64.710) ( 35.139, -10.000, -64.708) ( 0.01, 0.02, 0.00) 248: strbnd ( -5.006, 4.101, 11.332) ( -5.006, 4.101, 11.331) ( 0.01, 0.01, 0.01) 248: torsion ( -2.865, -1.801, -0.962) ( -2.865, -1.801, -0.962) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.401, -3.237, -2.009) ( 0.401, -3.237, -2.009) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 (-44.560, -77.865, 136.018) (-23.829, -75.824, 121.163) (46.52, 2.62, 10.92) 248: bond ( -2.460, 4.359, -8.933) ( -2.456, 4.363, -8.924) ( 0.18, 0.08, 0.10) 248: angle ( 29.524, -109.944, 134.355) ( 29.525, -109.943, 134.355) ( 0.00, 0.00, 0.00) 248: strbnd (-14.951, 10.444, -24.236) (-14.952, 10.444, -24.237) ( 0.01, 0.01, 0.01) 248: torsion ( 1.176, -3.022, -8.395) ( 1.176, -3.022, -8.396) ( 0.06, 0.00, 0.01) 248: oop (-59.918, 23.973, 41.115) (-39.191, 26.010, 26.252) (34.59, 8.49, 36.15) 248: vdw ( 2.638, -3.488, 3.777) ( 2.638, -3.488, 3.777) ( 0.00, 0.00, 0.00) 248: electro ( -0.568, -0.188, -1.665) ( -0.568, -0.188, -1.665) ( 0.00, 0.00, 0.00) 248: 14 (-73.793, -5.351, -43.764) (-74.002, -4.993, -43.416) ( 0.28, 6.69, 0.79) 248: bond ( 2.608, 8.877, -3.192) ( 2.609, 8.883, -3.190) ( 0.05, 0.08, 0.06) 248: angle (-96.717, 12.033, -55.420) (-96.718, 12.033, -55.421) ( 0.00, 0.00, 0.00) 248: strbnd ( -4.852, -11.840, 5.276) ( -4.852, -11.840, 5.276) ( 0.00, 0.00, 0.00) 248: torsion ( 10.732, 0.866, 11.025) ( 10.727, 0.866, 11.022) ( 0.04, 0.00, 0.03) 248: oop ( 12.415, -11.706, -6.666) ( 12.210, -11.356, -6.316) ( 1.65, 3.00, 5.26) 248: vdw ( 1.533, -1.793, 3.152) ( 1.533, -1.793, 3.152) ( 0.00, 0.00, 0.00) 248: electro ( 0.489, -1.787, 2.061) ( 0.489, -1.787, 2.061) ( 0.00, 0.00, 0.00) 248: 15 ( 69.217, 103.058, -57.300) ( 59.276, 101.483, -50.491) (14.36, 1.53, 11.88) 248: bond ( 2.268, 0.918, 3.526) ( 2.270, 0.919, 3.532) ( 0.12, 0.04, 0.18) 248: angle ( 44.112, 114.284, -58.082) ( 44.112, 114.285, -58.082) ( 0.00, 0.00, 0.00) 248: strbnd ( 4.938, 2.167, 7.080) ( 4.938, 2.167, 7.080) ( 0.01, 0.01, 0.00) 248: torsion ( -3.970, 1.783, 2.088) ( -3.970, 1.783, 2.088) ( 0.00, 0.00, 0.00) 248: oop ( 25.969, -6.898, -14.899) ( 16.024, -8.474, -8.097) (38.29, 22.85, 45.66) 248: vdw ( 0.595, -0.501, 0.672) ( 0.595, -0.501, 0.672) ( 0.00, 0.00, 0.00) 248: electro ( -4.694, -8.696, 2.316) ( -4.694, -8.696, 2.316) ( 0.00, 0.00, 0.00) 248: 16 ( 10.862, 32.599, -5.193) ( 10.865, 32.600, -5.193) ( 0.03, 0.00, 0.01) 248: bond ( 12.564, -2.116, -0.282) ( 12.567, -2.116, -0.282) ( 0.02, 0.01, 0.00) 248: angle ( 5.837, 35.355, -5.146) ( 5.837, 35.356, -5.145) ( 0.00, 0.00, 0.01) 248: strbnd ( -6.059, 0.924, 0.108) ( -6.059, 0.924, 0.108) ( 0.00, 0.00, 0.00) 248: torsion ( 0.025, 0.048, 0.772) ( 0.025, 0.048, 0.772) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.506, -1.612, -0.646) ( -1.506, -1.612, -0.646) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 17 ( 23.103, 21.401, -13.776) ( 23.104, 21.402, -13.774) ( 0.00, 0.01, 0.01) 248: bond ( 0.013, 7.722, 8.189) ( 0.013, 7.723, 8.191) ( 0.00, 0.02, 0.02) 248: angle ( 23.319, 18.754, -17.721) ( 23.319, 18.754, -17.721) ( 0.00, 0.00, 0.00) 248: strbnd ( -0.112, -4.214, -4.433) ( -0.112, -4.214, -4.433) ( 0.00, 0.00, 0.00) 248: torsion ( 0.254, -0.191, 0.179) ( 0.254, -0.191, 0.179) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 57 ( 47.292, 52.205, -38.554) ( 47.297, 52.209, -38.549) ( 0.01, 0.01, 0.01) 252: bond ( 26.876, 35.751, -12.136) ( 26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) 252: angle ( 0.078, -0.014, -0.007) ( 0.079, -0.013, -0.006) ( 0.01, 0.00, 0.00) 252: strbnd ( 17.157, 20.000, -12.414) ( 17.159, 20.000, -12.413) ( 0.01, 0.00, 0.01) 252: torsion ( 0.014, 0.019, 0.017) ( 0.014, 0.019, 0.017) ( 0.00, 0.00, 0.00) 252: oop ( 0.002, 0.006, 0.005) ( 0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) 252: vdw ( 3.164, -3.556, -14.019) ( 3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 58 ( 3.504, -53.454, 17.121) ( 3.509, -53.448, 17.126) ( 0.15, 0.01, 0.02) 252: bond (-12.452, -26.537, 26.356) (-12.448, -26.533, 26.357) ( 0.04, 0.01, 0.01) 252: angle ( -9.977, 5.381, -2.072) ( -9.975, 5.383, -2.071) ( 0.02, 0.04, 0.05) 252: strbnd ( 29.601, -21.772, 10.437) ( 29.601, -21.772, 10.438) ( 0.00, 0.00, 0.00) 252: torsion ( 1.442, -1.853, -6.723) ( 1.442, -1.853, -6.722) ( 0.02, 0.02, 0.01) 252: oop ( 0.004, -0.006, -0.012) ( 0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -5.113, -8.667, -10.865) ( -5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 59 ( 57.517, -33.972, 18.680) ( 57.526, -33.965, 18.684) ( 0.02, 0.02, 0.02) 252: bond ( 43.256, -7.494, 14.575) ( 43.260, -7.491, 14.577) ( 0.01, 0.04, 0.01) 252: angle ( -5.272, 6.049, -3.749) ( -5.270, 6.051, -3.748) ( 0.03, 0.03, 0.03) 252: strbnd ( 14.441, -25.674, 15.790) ( 14.443, -25.673, 15.791) ( 0.01, 0.00, 0.00) 252: torsion ( -0.018, 1.819, 2.940) ( -0.018, 1.820, 2.940) ( 0.00, 0.02, 0.02) 252: oop ( -0.004, -0.006, -0.012) ( -0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( 5.113, -8.667, -10.865) ( 5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 60 (-52.445, -20.208, 0.196) (-52.439, -20.201, 0.199) ( 0.01, 0.04, 0.06) 252: bond (-30.817, -15.091, 19.379) (-30.813, -15.086, 19.380) ( 0.01, 0.03, 0.00) 252: angle ( 5.186, -6.105, 3.821) ( 5.188, -6.103, 3.822) ( 0.04, 0.03, 0.02) 252: strbnd (-26.815, 14.635, -11.154) (-26.815, 14.635, -11.154) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, -1.831, -2.952) ( 0.001, -1.831, -2.951) ( 0.00, 0.01, 0.02) 252: oop ( -0.000, 0.005, 0.010) ( 0.000, 0.005, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.000, -11.821, -8.908) ( -0.000, -11.821, -8.908) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 18 # gradients 252: ok 19 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) 250: oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) 250: vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) 250: electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00) 250: 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51) 250: bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) 250: angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) 250: strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) 250: torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) 250: oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) 250: vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) 250: electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00) 250: 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93) 250: bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) 250: angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) 250: strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) 250: torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) 250: oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) 250: vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) 250: electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00) 250: 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02) 250: bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) 250: angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) 250: strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) 250: torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) 250: electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00) 250: 10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31) 250: bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) 250: angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) 250: strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) 250: torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) 250: oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) 250: vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) 250: electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00) 250: 11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19) 250: bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) 250: angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) 250: strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) 250: torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) 250: oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) 250: vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) 250: electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00) 250: 12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51) 248: vdw ( -0.370, -0.670, 0.010) ( -0.370, -0.670, 0.010) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 18 ( 33.905, 23.432, 15.855) ( 33.905, 23.433, 15.857) ( 0.00, 0.01, 0.01) 248: bond ( 0.412, 8.070, -8.784) ( 0.412, 8.072, -8.782) ( 0.00, 0.02, 0.02) 248: angle ( 35.086, 20.894, 20.850) ( 35.086, 20.894, 20.850) ( 0.00, 0.00, 0.00) 248: strbnd ( -0.271, -3.980, 4.289) ( -0.271, -3.980, 4.289) ( 0.00, 0.00, 0.00) 248: torsion ( 0.050, -0.044, -0.038) ( 0.050, -0.044, -0.038) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.372, -1.509, -0.461) ( -1.372, -1.509, -0.461) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 19 ( 7.842, 13.549, 15.910) ( 7.843, 13.550, 15.912) ( 0.01, 0.01, 0.01) 248: bond ( 4.298, -5.557, 10.878) ( 4.298, -5.556, 10.880) ( 0.01, 0.01, 0.02) 248: angle ( 5.140, 17.037, 6.669) ( 5.140, 17.038, 6.669) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.222, 0.518, -1.052) ( -0.222, 0.518, -1.052) ( 0.00, 0.00, 0.00) 248: torsion ( 0.333, -0.021, -0.143) ( 0.333, -0.021, -0.143) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.708, 1.572, -0.443) ( -1.707, 1.572, -0.443) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 20 ( 24.224, 9.746, 3.735) ( 24.225, 9.747, 3.737) ( 0.00, 0.01, 0.06) 248: bond ( 0.205, 8.145, 12.537) ( 0.205, 8.145, 12.539) ( 0.00, 0.01, 0.02) 248: angle ( 25.409, 2.588, -2.097) ( 25.410, 2.588, -2.096) ( 0.00, 0.01, 0.01) 248: strbnd ( -0.027, -1.112, -1.794) ( -0.027, -1.112, -1.794) ( 0.00, 0.00, 0.00) 248: torsion ( -0.559, -0.957, 0.631) ( -0.559, -0.957, 0.631) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.804, 1.083, -5.542) ( -0.804, 1.083, -5.542) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 21 (-14.013, -5.680, -13.049) (-14.012, -5.678, -13.048) ( 0.01, 0.05, 0.00) 248: bond ( -4.768, -11.721, 2.019) ( -4.767, -11.719, 2.019) ( 0.01, 0.02, 0.01) 248: angle ( -9.742, 1.595, -13.739) ( -9.741, 1.596, -13.738) ( 0.01, 0.01, 0.00) 248: strbnd ( 0.618, 1.701, -0.398) ( 0.618, 1.701, -0.398) ( 0.00, 0.00, 0.00) 248: torsion ( 0.143, 0.073, 0.763) ( 0.143, 0.073, 0.763) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.264, 2.671, -1.694) ( -0.263, 2.671, -1.694) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 22 (-11.466, -17.731, -34.136) (-11.464, -17.730, -34.135) ( 0.02, 0.00, 0.00) 248: bond ( 10.515, -3.031, -3.787) ( 10.517, -3.031, -3.787) ( 0.02, 0.01, 0.01) 248: angle (-17.099, -17.314, -33.631) (-17.099, -17.314, -33.630) ( 0.00, 0.00, 0.00) 248: strbnd ( -4.687, 1.352, 1.833) ( -4.687, 1.352, 1.833) ( 0.00, 0.00, 0.00) 248: torsion ( -0.036, -0.401, 0.221) ( -0.036, -0.401, 0.221) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.159, 1.663, 1.228) ( -0.159, 1.663, 1.228) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( 9.654, -14.702, -18.379) ( 9.655, -14.701, -18.377) ( 0.01, 0.01, 0.01) 248: bond ( -3.691, 5.903, -11.062) ( -3.691, 5.904, -11.060) ( 0.01, 0.01, 0.02) 252: 1 ( 45.804, 8.666, 0.052) ( 45.812, 8.674, 0.106) ( 0.02, 0.10, 0.28) 252: bond ( 30.636, -6.297, 0.167) ( 30.642, -6.289, 0.167) ( 0.02, 0.13, 0.00) 252: angle ( 32.862, 34.136, 0.480) ( 32.865, 34.139, 0.480) ( 0.01, 0.01, 0.00) 252: strbnd (-13.324, -8.673, -0.104) (-13.325, -8.674, -0.104) ( 0.01, 0.01, 0.00) 252: torsion ( 0.006, 0.007, -0.513) ( 0.006, 0.007, -0.512) ( 0.00, 0.00, 0.06) 252: oop ( 0.002, 0.002, -0.095) ( 0.001, 0.002, -0.042) ( 0.00, 0.00, 0.50) 252: vdw ( -4.980, -11.257, 0.121) ( -4.980, -11.256, 0.121) ( 0.00, 0.00, 0.00) 252: electro ( 0.603, 0.747, -0.004) ( 0.603, 0.747, -0.004) ( 0.00, 0.00, 0.00) 252: 2 (-58.580, -33.101, -2.074) (-58.570, -33.093, -1.963) ( 0.02, 0.02, 5.36) 252: bond (-30.553, -9.880, 0.169) (-30.547, -9.873, 0.169) ( 0.02, 0.07, 0.00) 252: angle (-46.521, -10.271, 0.396) (-46.518, -10.269, 0.396) ( 0.01, 0.02, 0.00) 252: strbnd ( 17.496, -2.306, -0.133) ( 17.495, -2.306, -0.133) ( 0.00, 0.03, 0.00) 252: torsion ( -0.025, 0.014, -1.717) ( -0.025, 0.014, -1.715) ( 0.00, 0.00, 0.08) 252: oop ( -0.004, 0.004, -0.489) ( -0.003, 0.003, -0.380) ( 0.00, 0.00, 5.38) 252: vdw ( 1.588, -12.705, -0.305) ( 1.588, -12.704, -0.305) ( 0.01, 0.00, 0.00) 252: electro ( -0.561, 2.042, 0.005) ( -0.561, 2.042, 0.005) ( 0.00, 0.00, 0.00) 252: 3 ( 29.955, -13.583, 1.499) ( 29.962, -13.574, 1.374) ( 0.02, 0.06, 8.32) 252: bond ( 39.764, 9.492, -0.196) ( 39.769, 9.499, -0.196) ( 0.01, 0.07, 0.00) 252: angle ( -9.543, -33.981, 0.308) ( -9.540, -33.979, 0.308) ( 0.03, 0.01, 0.01) 252: strbnd ( -7.639, 9.515, -0.055) ( -7.639, 9.513, -0.055) ( 0.00, 0.01, 0.00) 252: torsion ( 0.011, 0.725, 0.814) ( 0.011, 0.725, 0.815) ( 0.00, 0.00, 0.09) 252: oop ( 0.005, 0.000, 0.631) ( 0.004, 0.000, 0.505) ( 0.00, 0.00, 7.96) 252: vdw ( 9.366, 0.886, 0.003) ( 9.367, 0.886, 0.003) ( 0.00, 0.00, 0.00) 252: electro ( -2.008, -0.220, -0.006) ( -2.008, -0.220, -0.006) ( 0.00, 0.00, 0.00) 252: 4 ( 5.799, 3.052, -0.989) ( 5.809, 3.064, -0.869) ( 0.17, 0.41, 11.90) 252: bond (-10.729, -14.628, 0.267) (-10.721, -14.617, 0.267) ( 0.08, 0.07, 0.01) 252: angle ( 32.474, 51.618, -0.713) ( 32.476, 51.622, -0.713) ( 0.01, 0.01, 0.01) 252: strbnd (-21.280, -41.834, 0.455) (-21.281, -41.837, 0.455) ( 0.01, 0.01, 0.00) 252: torsion ( -0.002, -0.000, 0.339) ( -0.002, -0.000, 0.341) ( 0.00, 0.00, 0.04) 252: oop ( -0.004, -0.005, -0.706) ( -0.003, -0.004, -0.587) ( 0.00, 0.00, 8.43) 252: vdw ( 7.224, 10.517, -0.632) ( 7.224, 10.517, -0.632) ( 0.00, 0.00, 0.00) 252: electro ( -1.885, -2.616, -0.000) ( -1.885, -2.616, -0.000) ( 0.00, 0.00, 0.00) 252: 5 ( 35.971, 57.674, -1.797) ( 35.974, 57.682, -1.824) ( 0.01, 0.01, 1.53) 252: bond ( 14.954, 25.801, -0.346) ( 14.956, 25.809, -0.346) ( 0.02, 0.03, 0.00) 252: angle ( -0.954, 0.553, 0.090) ( -0.953, 0.554, 0.090) ( 0.07, 0.01, 0.00) 252: strbnd ( 15.993, 27.797, -0.361) ( 15.993, 27.797, -0.362) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, 0.000, 0.051) ( 0.001, 0.000, 0.051) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, 0.002, 0.182) ( 0.001, 0.001, 0.155) ( 0.00, 0.00, 0.50) 252: vdw ( 7.016, 4.718, -1.422) ( 7.016, 4.718, -1.422) ( 0.00, 0.00, 0.00) 252: electro ( -1.039, -1.196, 0.010) ( -1.039, -1.196, 0.010) ( 0.00, 0.00, 0.00) 252: 6 ( -1.213, 11.041, 0.106) ( -1.205, 11.049, -0.021) ( 0.68, 0.07, 1.35) 252: bond (-14.177, 30.083, -0.172) (-14.170, 30.088, -0.172) ( 0.05, 0.02, 0.00) 252: angle ( 8.442, -39.763, 0.869) ( 8.444, -39.760, 0.869) ( 0.03, 0.01, 0.03) 252: strbnd ( 11.495, 9.907, -0.096) ( 11.495, 9.907, -0.096) ( 0.00, 0.00, 0.00) 250: bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) 250: angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) 250: strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) 250: torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) 250: oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) 250: vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) 250: electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00) 250: 13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32) 250: bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) 250: angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) 250: strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) 250: torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) 250: oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) 250: electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00) 250: 14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04) 250: bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) 250: angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) 250: strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) 250: torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) 250: oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) 250: vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) 250: electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00) 250: 15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03) 250: bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) 250: angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) 250: strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) 250: torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) 250: oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 250: vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) 250: electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00) 250: 16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13) 250: bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) 250: angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) 250: strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) 250: torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) 250: oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) 250: vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) 250: electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00) 250: 17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58) 250: bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) 250: angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) 250: strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) 250: torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) 250: oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) 248: angle ( 12.954, -19.869, -14.929) ( 12.955, -19.869, -14.929) ( 0.00, 0.00, 0.00) 248: strbnd ( 1.489, -2.332, 4.677) ( 1.489, -2.332, 4.677) ( 0.00, 0.00, 0.00) 248: torsion ( -0.247, -0.126, 0.015) ( -0.247, -0.126, 0.015) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.851, 1.721, 2.920) ( -0.851, 1.721, 2.920) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( 14.540, -7.004, -26.289) ( 14.541, -7.001, -26.288) ( 0.01, 0.04, 0.00) 248: bond ( -4.182, -9.280, -1.526) ( -4.182, -9.277, -1.526) ( 0.01, 0.03, 0.01) 248: angle ( 17.244, -3.364, -26.810) ( 17.244, -3.364, -26.810) ( 0.00, 0.00, 0.00) 248: strbnd ( 2.112, 4.668, 0.929) ( 2.112, 4.668, 0.929) ( 0.00, 0.00, 0.00) 248: torsion ( 0.199, -0.107, 0.107) ( 0.199, -0.107, 0.107) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.832, 1.079, 1.011) ( -0.832, 1.079, 1.011) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( -2.146, 11.421, -4.557) ( -2.080, 11.484, -4.381) ( 3.09, 0.55, 3.87) 248: bond ( -0.517, -0.905, 0.501) ( -0.517, -0.903, 0.502) ( 0.04, 0.21, 0.04) 248: angle ( -5.394, 1.536, -2.786) ( -5.394, 1.537, -2.786) ( 0.01, 0.01, 0.00) 248: strbnd ( 4.247, 7.387, -3.525) ( 4.247, 7.387, -3.525) ( 0.00, 0.00, 0.00) 248: torsion ( -1.245, 2.897, 3.928) ( -1.245, 2.897, 3.928) ( 0.00, 0.00, 0.00) 248: oop ( -0.602, -0.657, -1.800) ( -0.537, -0.596, -1.625) ( 3.91, 3.97, 9.75) 248: vdw ( 1.342, 0.777, -0.631) ( 1.342, 0.777, -0.631) ( 0.00, 0.00, 0.00) 248: electro ( 0.023, 0.386, -0.243) ( 0.023, 0.386, -0.243) ( 0.00, 0.00, 0.00) 248: 26 ( 8.264, -9.314, -14.985) ( 7.913, -9.070, -14.378) ( 4.25, 2.62, 4.05) 248: bond ( 0.510, 0.130, 0.247) ( 0.513, 0.130, 0.248) ( 0.15, 0.00, 0.02) 248: angle ( -0.687, -4.473, 3.772) ( -0.687, -4.472, 3.772) ( 0.00, 0.01, 0.00) 248: strbnd ( -3.764, -0.803, -0.766) ( -3.764, -0.803, -0.766) ( 0.00, 0.00, 0.01) 248: torsion ( 8.777, -3.424, -16.387) ( 8.777, -3.424, -16.387) ( 0.00, 0.00, 0.00) 248: oop ( 1.606, -0.922, -2.844) ( 1.252, -0.679, -2.237) (22.07, 22.40, 21.34) 248: vdw ( 1.106, -0.058, 0.139) ( 1.106, -0.058, 0.139) ( 0.00, 0.00, 0.00) 248: electro ( 0.715, 0.236, 0.855) ( 0.715, 0.236, 0.855) ( 0.00, 0.00, 0.00) 248: 27 ( -9.529, -0.985, 0.936) ( -8.994, -0.277, 0.839) ( 5.61, 69.82, 9.15) 248: bond ( -0.257, 0.039, -1.081) ( -0.257, 0.039, -1.078) ( 0.01, 0.00, 0.33) 248: angle ( -2.751, 5.638, 0.859) ( -2.751, 5.638, 0.859) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.092, 0.684, -4.568) ( -0.092, 0.685, -4.568) ( 0.00, 0.00, 0.00) 248: torsion ( -4.710, -4.641, 0.953) ( -4.710, -4.641, 0.953) ( 0.00, 0.00, 0.00) 248: oop ( -2.117, -3.288, 0.385) ( -1.584, -2.580, 0.284) (25.20, 21.55, 3.90) 248: vdw ( -0.554, 0.339, 2.803) ( -0.554, 0.339, 2.803) ( 0.00, 0.00, 0.00) 248: electro ( 0.953, 0.243, 1.585) ( 0.953, 0.243, 1.585) ( 0.00, 0.00, 0.00) 248: 28 (-35.688, 35.118, -12.756) (-35.489, 35.165, -12.454) ( 0.56, 0.13, 2.37) 248: bond ( -0.608, -0.110, 0.410) ( -0.606, -0.110, 0.411) ( 0.16, 0.00, 0.05) 248: angle (-20.084, 33.989, -20.477) (-20.083, 33.989, -20.477) ( 0.00, 0.00, 0.00) 248: strbnd (-11.144, -1.712, 8.116) (-11.144, -1.712, 8.116) ( 0.00, 0.00, 0.00) 248: torsion ( -1.403, 5.730, -0.531) ( -1.403, 5.730, -0.531) ( 0.00, 0.00, 0.00) 248: oop ( -1.298, -1.456, -2.303) ( -1.102, -1.410, -2.002) (15.09, 3.14, 13.07) 248: vdw ( -0.679, -1.424, 2.000) ( -0.679, -1.424, 2.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.428, -0.249, -1.278) ( -0.428, -0.249, -1.277) ( 0.00, 0.00, 0.07) 252: oop ( -0.000, 0.003, 0.773) ( -0.000, 0.003, 0.645) ( 0.00, 0.00, 9.94) 252: vdw ( -6.893, 11.755, 0.015) ( -6.893, 11.755, 0.015) ( 0.00, 0.00, 0.00) 252: electro ( 0.348, -0.695, -0.005) ( 0.348, -0.695, -0.005) ( 0.00, 0.00, 0.00) 252: 7 (-20.145, -5.329, -0.891) (-20.132, -5.320, -0.769) ( 0.07, 0.16, 10.85) 252: bond ( 14.169, 8.086, 0.243) ( 14.182, 8.092, 0.243) ( 0.09, 0.08, 0.01) 252: angle (-42.998, -14.458, -0.436) (-42.996, -14.456, -0.436) ( 0.01, 0.02, 0.01) 252: strbnd ( 11.153, 0.471, 0.082) ( 11.151, 0.470, 0.082) ( 0.01, 0.04, 0.00) 252: torsion ( -0.004, -0.002, 0.375) ( -0.004, -0.002, 0.376) ( 0.00, 0.00, 0.03) 252: oop ( 0.003, -0.000, -0.845) ( 0.003, -0.000, -0.724) ( 0.00, 0.00, 10.22) 252: vdw ( -7.050, -0.891, -0.311) ( -7.050, -0.891, -0.311) ( 0.00, 0.01, 0.00) 252: electro ( 4.583, 1.466, 0.001) ( 4.583, 1.466, 0.001) ( 0.00, 0.00, 0.00) 252: 8 (-52.573, -1.900, -0.457) (-52.562, -1.899, -0.525) ( 0.02, 0.06, 3.09) 252: bond (-33.079, 0.439, -0.219) (-33.068, 0.439, -0.220) ( 0.03, 0.01, 0.00) 252: angle ( 0.010, 0.811, 0.102) ( 0.010, 0.812, 0.102) ( 0.00, 0.09, 0.00) 252: strbnd (-14.392, -0.434, -0.079) (-14.392, -0.434, -0.079) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, -0.000, -0.096) ( 0.001, -0.000, -0.096) ( 0.00, 0.00, 0.00) 252: oop ( -0.002, -0.000, 0.361) ( -0.002, -0.000, 0.293) ( 0.00, 0.00, 2.44) 252: vdw ( -5.725, -2.617, -0.509) ( -5.725, -2.617, -0.509) ( 0.00, 0.01, 0.00) 252: electro ( 0.615, -0.099, -0.017) ( 0.615, -0.099, -0.017) ( 0.00, 0.00, 0.00) 252: 9 (-31.749, -12.688, -0.521) (-31.740, -12.679, -0.557) ( 0.03, 0.06, 1.90) 252: bond (-31.682, -14.421, -0.455) (-31.675, -14.415, -0.455) ( 0.02, 0.04, 0.00) 252: angle ( 5.174, 7.290, 0.065) ( 5.177, 7.293, 0.066) ( 0.05, 0.03, 0.00) 252: strbnd ( -6.582, -2.350, -0.240) ( -6.583, -2.351, -0.240) ( 0.02, 0.05, 0.00) 252: torsion ( 0.000, 0.005, -0.080) ( 0.000, 0.005, -0.079) ( 0.00, 0.00, 0.01) 252: oop ( -0.001, -0.003, 0.207) ( -0.000, -0.002, 0.169) ( 0.00, 0.00, 0.78) 252: vdw ( 1.438, -3.381, -0.019) ( 1.438, -3.381, -0.019) ( 0.00, 0.00, 0.00) 252: electro ( -0.095, 0.172, 0.001) ( -0.095, 0.172, 0.001) ( 0.00, 0.00, 0.00) 252: 10 (-10.933, -27.650, -0.039) (-10.928, -27.644, -0.102) ( 0.04, 0.02, 0.25) 252: bond (-32.483, -35.767, -0.526) (-32.480, -35.763, -0.526) ( 0.01, 0.01, 0.01) 252: angle ( 26.625, 6.434, -0.197) ( 26.627, 6.434, -0.197) ( 0.01, 0.01, 0.00) 252: strbnd ( -1.629, 3.816, 0.065) ( -1.629, 3.816, 0.065) ( 0.01, 0.01, 0.00) 252: torsion ( 0.008, -0.005, 0.486) ( 0.008, -0.005, 0.486) ( 0.00, 0.00, 0.02) 252: oop ( 0.002, -0.005, 0.355) ( 0.001, -0.005, 0.291) ( 0.00, 0.00, 2.26) 252: vdw ( -3.198, -3.532, -0.228) ( -3.198, -3.531, -0.228) ( 0.00, 0.00, 0.00) 252: electro ( -0.259, 1.410, 0.007) ( -0.259, 1.410, 0.007) ( 0.00, 0.00, 0.00) 252: 11 ( 35.883, 8.664, -0.338) ( 35.889, 8.671, -0.245) ( 0.02, 0.08, 3.13) 252: bond ( 44.495, 11.383, 0.093) ( 44.502, 11.390, 0.093) ( 0.01, 0.06, 0.00) 252: angle ( -0.477, -4.825, -0.116) ( -0.475, -4.823, -0.116) ( 0.09, 0.05, 0.00) 252: strbnd (-12.211, 2.309, 0.059) (-12.213, 2.308, 0.059) ( 0.02, 0.02, 0.00) 252: torsion ( -0.001, -0.001, 0.053) ( -0.001, -0.001, 0.054) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.010, -0.488) ( -0.000, 0.008, -0.397) ( 0.00, 0.00, 4.49) 252: vdw ( 4.096, -0.193, 0.062) ( 4.096, -0.193, 0.062) ( 0.00, 0.00, 0.00) 252: electro ( -0.018, -0.019, -0.000) ( -0.018, -0.019, -0.000) ( 0.00, 0.00, 0.00) 252: 12 ( 17.293, 2.712, 1.183) ( 17.298, 2.719, 1.174) ( 0.03, 0.24, 0.78) 250: vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) 250: electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00) 250: 18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48) 250: bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) 250: angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) 250: strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) 250: torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) 250: oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) 250: vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) 250: electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00) 250: 19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00) 250: bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) 250: angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) 250: strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) 250: torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) 250: oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) 250: vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) 250: electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00) 250: 20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94) 250: bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) 250: angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) 250: strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) 250: torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) 250: oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) 250: vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) 250: electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00) 250: 21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12) 250: bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) 250: angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) 250: strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) 250: torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) 250: oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) 250: vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) 250: electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00) 250: 22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01) 250: bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) 250: angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) 250: strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) 250: torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) 250: electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00) 250: 23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06) 250: bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) 248: electro ( -0.472, 0.102, 0.028) ( -0.472, 0.102, 0.028) ( 0.00, 0.00, 0.00) 248: 29 ( 6.269, 4.842, 17.665) ( 6.271, 4.844, 17.666) ( 0.04, 0.03, 0.00) 248: bond ( 13.347, 7.815, 1.928) ( 13.349, 7.816, 1.928) ( 0.02, 0.01, 0.01) 248: angle ( -3.942, 1.678, 20.486) ( -3.942, 1.679, 20.487) ( 0.01, 0.03, 0.00) 248: strbnd ( -1.485, -0.391, -0.372) ( -1.485, -0.391, -0.372) ( 0.00, 0.00, 0.00) 248: torsion ( -0.296, 0.484, 0.090) ( -0.296, 0.484, 0.090) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.355, -4.745, -4.467) ( -1.355, -4.744, -4.467) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( -8.350, 0.131, 25.967) ( -8.349, 0.134, 25.968) ( 0.01, 0.04, 0.00) 248: bond ( -1.481, 11.557, 2.165) ( -1.481, 11.560, 2.165) ( 0.01, 0.03, 0.01) 248: angle ( -9.788, -6.150, 26.139) ( -9.788, -6.150, 26.139) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.626, -4.365, -1.021) ( 0.626, -4.365, -1.021) ( 0.00, 0.00, 0.00) 248: torsion ( 1.782, 0.049, 0.957) ( 1.782, 0.049, 0.957) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.511, -0.961, -2.273) ( 0.511, -0.961, -2.273) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 31 (-14.899, 11.820, 16.748) (-14.898, 11.820, 16.750) ( 0.01, 0.01, 0.01) 248: bond ( 5.176, -2.757, 10.225) ( 5.177, -2.757, 10.227) ( 0.01, 0.01, 0.02) 248: angle (-19.241, 13.946, 13.498) (-19.241, 13.947, 13.498) ( 0.00, 0.00, 0.00) 248: strbnd ( -2.072, 1.072, -4.471) ( -2.072, 1.072, -4.471) ( 0.00, 0.00, 0.00) 248: torsion ( 0.541, 0.941, -0.020) ( 0.541, 0.941, -0.020) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.698, -1.382, -2.484) ( 0.698, -1.382, -2.484) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 32 ( -4.993, 10.176, 24.023) ( -4.991, 10.177, 24.024) ( 0.05, 0.01, 0.00) 248: bond (-10.690, -3.803, 2.337) (-10.687, -3.803, 2.338) ( 0.02, 0.01, 0.01) 248: angle ( 0.606, 13.614, 24.917) ( 0.606, 13.614, 24.917) ( 0.00, 0.00, 0.00) 248: strbnd ( 3.553, 1.168, -0.972) ( 3.553, 1.168, -0.972) ( 0.00, 0.00, 0.00) 248: torsion ( -0.030, 0.061, -0.037) ( -0.030, 0.061, -0.037) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.567, -0.863, -2.222) ( 1.567, -0.863, -2.222) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 33 ( 19.334, -14.895, -24.368) ( 19.332, -14.890, -24.369) ( 0.01, 0.03, 0.00) 248: bond ( -4.753, -12.511, 5.560) ( -4.753, -12.507, 5.561) ( 0.01, 0.03, 0.01) 248: angle ( 21.861, -17.415, -20.481) ( 21.860, -17.414, -20.482) ( 0.00, 0.00, 0.00) 248: strbnd ( 2.809, 8.054, -3.331) ( 2.809, 8.054, -3.331) ( 0.00, 0.00, 0.00) 248: torsion ( -6.332, -0.435, -6.389) ( -6.334, -0.435, -6.390) ( 0.02, 0.00, 0.02) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.007, 0.074, -0.052) ( 0.007, 0.074, -0.052) ( 0.00, 0.00, 0.00) 248: electro ( 5.743, 7.338, 0.326) ( 5.743, 7.338, 0.326) ( 0.00, 0.00, 0.00) 248: ok 30 # gradients 248: ok 31 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 252: bond ( 20.776, 7.319, 0.909) ( 20.781, 7.324, 0.914) ( 0.02, 0.06, 0.43) 252: angle (-13.754, -4.812, -0.102) (-13.752, -4.809, -0.101) ( 0.01, 0.04, 0.02) 252: strbnd ( 12.427, 3.908, 0.157) ( 12.424, 3.908, 0.156) ( 0.02, 0.02, 0.01) 252: torsion ( -0.002, -0.005, 0.222) ( -0.002, -0.005, 0.222) ( 0.00, 0.00, 0.00) 252: oop ( -0.001, -0.001, 0.057) ( -0.000, -0.001, 0.042) ( 0.00, 0.00, 0.09) 252: vdw ( -1.953, -4.180, -0.065) ( -1.953, -4.180, -0.065) ( 0.00, 0.00, 0.00) 252: electro ( -0.199, 0.482, 0.005) ( -0.199, 0.482, 0.005) ( 0.00, 0.00, 0.00) 252: 13 (-10.045, -5.608, 1.125) (-10.040, -5.601, 1.145) ( 0.05, 0.12, 1.79) 252: bond (-22.923, -0.335, 0.145) (-22.919, -0.330, 0.150) ( 0.02, 0.16, 0.07) 252: angle ( 7.410, 2.850, -0.382) ( 7.411, 2.852, -0.380) ( 0.03, 0.07, 0.06) 252: strbnd ( 0.558, -0.831, -0.003) ( 0.557, -0.831, -0.003) ( 0.07, 0.03, 0.00) 252: torsion ( 0.051, -3.726, 1.437) ( 0.051, -3.726, 1.438) ( 0.00, 0.00, 0.01) 252: oop ( -0.001, -0.000, -0.079) ( -0.001, -0.000, -0.065) ( 0.00, 0.00, 0.11) 252: vdw ( 6.098, -3.967, 0.005) ( 6.098, -3.967, 0.005) ( 0.00, 0.00, 0.00) 252: electro ( -1.238, 0.401, 0.001) ( -1.238, 0.401, 0.001) ( 0.00, 0.00, 0.00) 252: 14 ( 6.287, -6.477, 3.822) ( 6.293, -6.472, 3.842) ( 0.10, 0.08, 0.53) 252: bond ( 11.197, -20.692, -0.065) ( 11.201, -20.688, -0.061) ( 0.04, 0.02, 0.03) 252: angle ( -3.458, 7.005, -0.620) ( -3.456, 7.007, -0.619) ( 0.06, 0.03, 0.09) 252: strbnd ( 0.022, 0.227, 0.010) ( 0.021, 0.226, 0.009) ( 0.00, 0.02, 0.00) 252: torsion ( 2.182, 1.253, 4.593) ( 2.182, 1.253, 4.593) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.001, -0.092) ( 0.000, -0.001, -0.078) ( 0.00, 0.00, 0.13) 252: vdw ( -4.679, 7.355, -0.008) ( -4.679, 7.355, -0.008) ( 0.00, 0.00, 0.00) 252: electro ( 1.023, -1.624, 0.005) ( 1.023, -1.624, 0.005) ( 0.00, 0.00, 0.00) 252: 15 ( -0.856, 6.294, 0.492) ( -0.855, 6.299, 0.441) ( 0.07, 0.08, 2.50) 252: bond ( -0.036, 7.926, 0.175) ( -0.036, 7.930, 0.175) ( 0.00, 0.05, 0.00) 252: angle ( -5.802, -0.026, -0.014) ( -5.802, -0.026, -0.014) ( 0.01, 0.00, 0.00) 252: strbnd ( 3.604, -0.129, -0.013) ( 3.604, -0.129, -0.013) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, -0.003, 0.136) ( 0.001, -0.003, 0.136) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.005, 0.223) ( 0.000, -0.004, 0.172) ( 0.00, 0.00, 1.13) 252: vdw ( 1.248, -1.217, -0.011) ( 1.248, -1.217, -0.011) ( 0.00, 0.00, 0.00) 252: electro ( 0.130, -0.252, -0.003) ( 0.130, -0.252, -0.003) ( 0.00, 0.00, 0.00) 252: 16 ( 3.795, -2.075, -0.170) ( 3.796, -2.072, -0.169) ( 0.02, 0.17, 0.01) 252: bond ( -0.033, -1.994, -0.084) ( -0.033, -1.991, -0.084) ( 0.00, 0.17, 0.00) 252: angle ( 5.569, -0.090, -0.056) ( 5.570, -0.090, -0.056) ( 0.01, 0.00, 0.00) 252: strbnd ( 2.049, 1.116, 0.067) ( 2.049, 1.116, 0.067) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, 0.000, -0.009) ( 0.000, 0.000, -0.009) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.791, -1.108, -0.087) ( -3.791, -1.108, -0.087) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 17 ( 3.734, 1.697, 3.317) ( 3.735, 1.697, 3.320) ( 0.03, 0.05, 0.08) 252: bond ( -0.653, 0.424, 1.150) ( -0.653, 0.424, 1.152) ( 0.05, 0.01, 0.21) 252: angle ( 4.116, 2.173, 1.530) ( 4.116, 2.174, 1.530) ( 0.01, 0.02, 0.01) 252: strbnd ( 2.185, 0.599, -0.219) ( 2.185, 0.599, -0.219) ( 0.00, 0.00, 0.00) 252: torsion ( 0.003, -0.008, 0.004) ( 0.003, -0.008, 0.004) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) 250: strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) 250: torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) 250: oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) 250: vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) 250: electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00) 250: 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) 250: bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) 250: angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) 250: strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) 250: torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) 250: bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) 250: angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) 250: strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) 250: torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) 250: bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) 250: angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) 250: strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) 250: torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) 250: bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) 250: angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) 250: strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) 250: torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) 250: bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) 250: angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) 250: strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) 250: torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) 248: 1 ( -0.056, -0.051, 0.261) ( -0.002, 0.035, 0.079) ( 0.30, 0.44, 4.74) 248: bond ( 6.922, 0.175, 2.287) ( 6.926, 0.180, 2.292) ( 0.06, 0.08, 0.20) 248: angle ( -5.931, 2.410, 0.271) ( -5.930, 2.412, 0.272) ( 0.03, 0.08, 0.04) 248: strbnd ( 0.198, 0.872, 0.213) ( 0.197, 0.872, 0.213) ( 0.01, 0.04, 0.01) 248: torsion ( 0.668, -0.373, -2.325) ( 0.668, -0.373, -2.325) ( 0.00, 0.00, 0.00) 248: oop ( -0.334, -0.538, 1.283) ( -0.285, -0.457, 1.096) ( 1.63, 4.32, 14.61) 248: vdw ( -0.832, -1.739, -0.997) ( -0.832, -1.739, -0.997) ( 0.00, 0.00, 0.00) 248: electro ( -0.746, -0.859, -0.471) ( -0.746, -0.859, -0.471) ( 0.00, 0.00, 0.00) 248: 2 ( 0.014, 0.361, -0.764) ( -0.121, 0.105, -0.143) ( 0.18, 9.21, 47.41) 248: bond ( -2.739, 1.957, -0.129) ( -2.733, 1.965, -0.128) ( 0.24, 0.42, 0.02) 248: angle ( 14.443, -7.136, 1.147) ( 14.446, -7.134, 1.148) ( 0.02, 0.02, 0.06) 248: strbnd ( -7.334, 6.670, 1.385) ( -7.335, 6.668, 1.385) ( 0.01, 0.03, 0.02) 248: torsion ( -0.037, 0.168, 0.014) ( -0.037, 0.168, 0.014) ( 0.00, 0.00, 0.00) 248: oop ( 0.865, 1.488, -3.541) ( 0.722, 1.224, -2.922) (12.35, 17.72, 17.47) 248: vdw ( -4.625, -1.230, -1.537) ( -4.625, -1.230, -1.537) ( 0.00, 0.00, 0.00) 248: electro ( -0.559, -1.556, 1.897) ( -0.559, -1.556, 1.897) ( 0.00, 0.00, 0.00) 248: 3 ( -0.029, -0.024, 0.069) ( -0.028, -0.021, 0.070) ( 0.00, 0.01, 0.00) 248: bond ( 0.134, 0.394, -0.032) ( 0.135, 0.397, -0.032) ( 0.00, 0.12, 0.00) 248: angle ( 1.589, -0.626, -1.067) ( 1.590, -0.626, -1.067) ( 0.03, 0.00, 0.04) 248: strbnd ( 0.319, 0.162, 0.070) ( 0.319, 0.162, 0.070) ( 0.00, 0.00, 0.00) 248: torsion ( -0.341, 0.212, 1.185) ( -0.341, 0.212, 1.185) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -1.730, -0.167, -0.086) ( -1.730, -0.167, -0.086) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 4 ( 0.009, -0.000, 0.009) ( 0.010, 0.001, 0.011) ( 0.00, 0.00, 0.00) 248: bond ( 0.230, -0.232, -0.242) ( 0.231, -0.231, -0.241) ( 0.03, 0.03, 0.03) 248: angle ( 3.596, 2.214, 1.320) ( 3.596, 2.214, 1.320) ( 0.01, 0.01, 0.02) 248: strbnd ( 0.657, -0.379, -0.320) ( 0.657, -0.379, -0.320) ( 0.00, 0.00, 0.00) 248: torsion ( 0.004, 0.023, -0.019) ( 0.004, 0.023, -0.019) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.478, -1.627, -0.730) ( -4.478, -1.627, -0.730) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 ( -0.022, -0.019, 0.016) ( -0.022, -0.018, 0.019) ( 0.00, 0.00, 0.01) 248: bond ( 0.002, -0.007, 0.018) ( 0.002, -0.007, 0.021) ( 0.00, 0.00, 0.01) 248: angle ( 0.435, -0.097, -0.074) ( 0.436, -0.096, -0.074) ( 0.02, 0.00, 0.00) 248: strbnd ( 0.316, -0.158, 0.593) ( 0.316, -0.158, 0.593) ( 0.00, 0.00, 0.00) 248: torsion ( -0.046, 0.322, 0.110) ( -0.046, 0.322, 0.110) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.730, -0.080, -0.631) ( -0.730, -0.080, -0.631) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 6 ( -0.046, -0.324, 0.524) ( 0.044, -0.163, 0.161) ( 0.41, 5.19, 19.00) 248: bond ( -2.835, 3.345, 0.762) ( -2.831, 3.350, 0.763) ( 0.13, 0.16, 0.02) 248: angle ( -1.494, -1.139, -0.542) ( -1.493, -1.138, -0.541) ( 0.03, 0.02, 0.01) 248: strbnd ( 7.239, -8.454, -1.930) ( 7.239, -8.454, -1.930) ( 0.00, 0.00, 0.00) 252: vdw ( -1.916, -1.492, 0.852) ( -1.916, -1.492, 0.852) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 18 ( 3.357, 1.877, -3.735) ( 3.358, 1.877, -3.733) ( 0.04, 0.05, 0.07) 252: bond ( -0.951, 0.766, -1.640) ( -0.950, 0.766, -1.638) ( 0.07, 0.04, 0.14) 252: angle ( 4.217, 2.283, -1.378) ( 4.217, 2.284, -1.377) ( 0.01, 0.02, 0.01) 252: strbnd ( 2.195, 0.574, 0.319) ( 2.195, 0.574, 0.319) ( 0.00, 0.00, 0.00) 252: torsion ( -0.003, 0.007, 0.005) ( -0.003, 0.007, 0.005) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.102, -1.754, -1.042) ( -2.101, -1.754, -1.042) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 19 ( -0.948, 1.749, -2.994) ( -0.947, 1.750, -2.991) ( 0.08, 0.04, 0.10) 252: bond ( 0.687, 0.547, -1.969) ( 0.688, 0.547, -1.967) ( 0.02, 0.01, 0.15) 252: angle ( -2.117, 0.190, -0.687) ( -2.116, 0.190, -0.687) ( 0.02, 0.01, 0.01) 252: strbnd ( -1.351, -0.031, 0.069) ( -1.351, -0.031, 0.069) ( 0.00, 0.00, 0.00) 252: torsion ( -0.009, 1.344, 0.371) ( -0.009, 1.344, 0.371) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.840, -0.300, -0.777) ( 1.840, -0.300, -0.777) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 ( 3.214, -1.427, 1.320) ( 3.215, -1.424, 1.320) ( 0.03, 0.21, 0.05) 252: bond ( 0.757, -1.956, 0.504) ( 0.757, -1.953, 0.504) ( 0.03, 0.15, 0.01) 252: angle ( -2.944, -1.085, 0.217) ( -2.943, -1.085, 0.218) ( 0.02, 0.01, 0.01) 252: strbnd ( -1.362, 0.055, -0.006) ( -1.362, 0.055, -0.006) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, -0.023, -0.087) ( -0.001, -0.023, -0.087) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 6.765, 1.580, 0.691) ( 6.765, 1.580, 0.691) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 21 ( 1.311, 2.298, 1.796) ( 1.312, 2.300, 1.798) ( 0.07, 0.08, 0.10) 252: bond ( 0.773, 1.536, 1.536) ( 0.773, 1.538, 1.538) ( 0.03, 0.10, 0.10) 252: angle ( -2.380, 0.642, 0.554) ( -2.380, 0.642, 0.554) ( 0.02, 0.02, 0.01) 252: strbnd ( -1.349, -0.045, -0.017) ( -1.349, -0.045, -0.017) ( 0.00, 0.00, 0.00) 252: torsion ( -0.034, 1.670, -1.653) ( -0.034, 1.670, -1.653) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.301, -1.506, 1.375) ( 4.301, -1.506, 1.375) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 ( -2.919, 0.875, 1.448) ( -2.916, 0.876, 1.450) ( 0.08, 0.06, 0.11) 252: bond ( -1.870, -0.110, 1.417) ( -1.868, -0.110, 1.418) ( 0.12, 0.00, 0.09) 252: angle ( 0.520, -2.593, 0.484) ( 0.520, -2.593, 0.484) ( 0.01, 0.02, 0.01) 252: strbnd ( 0.654, -1.205, 0.011) ( 0.654, -1.205, 0.011) ( 0.00, 0.00, 0.00) 252: torsion ( -1.476, -0.834, -2.010) ( -1.476, -0.834, -2.010) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.746, 5.617, 1.547) ( -0.746, 5.617, 1.547) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( -2.177, 4.626, 0.844) ( -2.175, 4.628, 0.845) ( 0.08, 0.05, 0.06) 252: bond ( 1.483, 1.776, 0.765) ( 1.485, 1.778, 0.766) ( 0.09, 0.10, 0.03) 252: angle ( 2.624, -2.307, 0.268) ( 2.625, -2.307, 0.268) ( 0.01, 0.01, 0.01) 252: strbnd ( 0.634, -1.241, -0.006) ( 0.634, -1.242, -0.006) ( 0.00, 0.00, 0.00) 252: torsion ( 0.519, 0.264, -1.620) ( 0.519, 0.264, -1.620) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -7.437, 6.134, 1.436) ( -7.437, 6.134, 1.436) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( -0.385, -1.508, -3.050) ( -0.385, -1.508, -3.047) ( 0.03, 0.04, 0.10) 252: bond ( -0.615, 0.404, -1.895) ( -0.615, 0.404, -1.892) ( 0.02, 0.01, 0.16) 252: angle ( 0.873, -1.806, -0.669) ( 0.873, -1.806, -0.669) ( 0.04, 0.03, 0.01) 252: strbnd ( 0.665, -1.206, 0.041) ( 0.665, -1.206, 0.041) ( 0.00, 0.00, 0.00) 252: torsion ( -0.796, -0.434, 0.166) ( -0.796, -0.434, 0.166) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.512, 1.534, -0.692) ( -0.512, 1.534, -0.692) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 20 # gradients 252: ok 21 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) 250: bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) 250: angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) 250: strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) 250: torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) 250: bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) 250: angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) 250: strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) 250: torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) 250: bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) 250: angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) 250: strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) 250: torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) 250: bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) 250: angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) 250: strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) 250: torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) 250: bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) 250: angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) 250: strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) 250: torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) 250: bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) 250: angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) 250: strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) 248: torsion ( 0.143, 0.217, -0.423) ( 0.143, 0.217, -0.423) ( 0.00, 0.00, 0.00) 248: oop ( -0.410, -0.742, 1.739) ( -0.325, -0.588, 1.376) ( 3.49, 11.48, 20.89) 248: vdw ( -4.309, -6.669, -2.520) ( -4.309, -6.669, -2.520) ( 0.00, 0.00, 0.00) 248: electro ( 1.620, 13.118, 3.437) ( 1.620, 13.118, 3.437) ( 0.00, 0.00, 0.00) 248: 7 ( 0.163, 0.254, -0.307) ( 0.096, 0.140, -0.063) ( 1.10, 2.91, 7.49) 248: bond ( 17.866, -2.904, 4.744) ( 17.871, -2.899, 4.745) ( 0.03, 0.18, 0.03) 248: angle ( -8.512, -0.397, -1.184) ( -8.510, -0.396, -1.183) ( 0.02, 0.07, 0.06) 248: strbnd ( 0.437, -1.121, -0.832) ( 0.437, -1.122, -0.833) ( 0.02, 0.06, 0.02) 248: torsion ( -1.343, -1.618, 4.839) ( -1.343, -1.618, 4.840) ( 0.00, 0.00, 0.01) 248: oop ( 0.386, 0.773, -1.451) ( 0.312, 0.652, -1.209) ( 2.86, 9.34, 16.66) 248: vdw ( 1.892, 2.121, 0.955) ( 1.893, 2.121, 0.955) ( 0.01, 0.00, 0.00) 248: electro (-10.563, 3.402, -7.378) (-10.563, 3.402, -7.378) ( 0.00, 0.00, 0.00) 248: 8 ( -0.072, -0.167, 0.304) ( -0.035, -0.084, 0.148) ( 0.26, 1.38, 4.74) 248: bond ( -1.088, 0.983, 0.272) ( -1.086, 0.985, 0.272) ( 0.24, 0.21, 0.00) 248: angle ( -1.860, -1.398, -2.356) ( -1.859, -1.398, -2.356) ( 0.02, 0.02, 0.01) 248: strbnd ( -0.431, 2.009, 1.109) ( -0.431, 2.009, 1.109) ( 0.00, 0.00, 0.00) 248: torsion ( 0.178, 0.549, -1.277) ( 0.178, 0.549, -1.277) ( 0.00, 0.00, 0.01) 248: oop ( -0.244, -0.585, 1.144) ( -0.210, -0.505, 0.988) ( 0.82, 4.70, 13.65) 248: vdw ( 1.404, 2.236, 1.130) ( 1.404, 2.236, 1.130) ( 0.00, 0.00, 0.00) 248: electro ( 1.969, -3.962, 0.282) ( 1.969, -3.962, 0.282) ( 0.00, 0.00, 0.00) 248: 9 ( -0.704, -0.671, -0.056) ( 0.394, 0.371, 0.139) (77.26, 69.84, 1.09) 248: bond ( -7.812, -8.638, -5.588) ( -7.808, -8.633, -5.586) ( 0.05, 0.05, 0.04) 248: angle ( 12.778, 11.374, 19.741) ( 12.780, 11.376, 19.743) ( 0.02, 0.02, 0.01) 248: strbnd ( 4.362, 3.842, -7.340) ( 4.361, 3.842, -7.341) ( 0.02, 0.02, 0.01) 248: torsion ( -1.339, -2.456, -4.051) ( -1.339, -2.456, -4.051) ( 0.00, 0.00, 0.00) 248: oop ( -4.513, -5.190, -1.298) ( -3.420, -4.155, -1.107) (24.21, 19.95, 14.74) 248: vdw ( 0.230, 3.142, 1.240) ( 0.230, 3.143, 1.240) ( 0.00, 0.00, 0.00) 248: electro ( -4.410, -2.746, -2.761) ( -4.410, -2.746, -2.761) ( 0.00, 0.00, 0.00) 248: 10 ( -0.145, 0.204, 0.151) ( -0.062, 0.014, -0.015) ( 1.21, 3.88, 2.49) 248: bond ( -0.630, 1.775, 12.572) ( -0.627, 1.778, 12.577) ( 0.18, 0.16, 0.04) 248: angle ( 6.045, 0.014, -16.923) ( 6.048, 0.016, -16.921) ( 0.04, 0.00, 0.01) 248: strbnd ( -7.393, -1.780, -1.355) ( -7.394, -1.782, -1.356) ( 0.01, 0.08, 0.05) 248: torsion ( -2.978, 1.047, -0.463) ( -2.978, 1.047, -0.463) ( 0.00, 0.00, 0.00) 248: oop ( 1.166, 3.054, 2.028) ( 1.244, 2.860, 1.857) ( 6.76, 6.34, 8.45) 248: vdw ( 2.417, 3.304, 0.233) ( 2.417, 3.304, 0.233) ( 0.00, 0.00, 0.00) 248: electro ( 1.227, -7.208, 4.059) ( 1.227, -7.208, 4.059) ( 0.00, 0.00, 0.00) 248: 11 ( -0.193, -2.395, -0.387) ( 0.210, -0.194, 0.018) ( 7.77, 91.89, 15.69) 248: bond ( 10.742, 6.592, -1.930) ( 10.747, 6.594, -1.926) ( 0.05, 0.02, 0.18) 248: angle ( -4.937, -17.076, 7.817) ( -4.936, -17.075, 7.819) ( 0.04, 0.01, 0.03) 248: strbnd ( -1.830, -0.656, 3.895) ( -1.830, -0.657, 3.894) ( 0.03, 0.03, 0.01) 248: torsion ( 5.970, 14.380, -7.419) ( 5.971, 14.380, -7.419) ( 0.00, 0.00, 0.00) 248: oop ( -6.219, -17.227, -5.679) ( -5.823, -15.030, -5.279) ( 6.37, 12.76, 7.04) 248: vdw ( -1.251, 1.961, 1.619) ( -1.251, 1.961, 1.619) ( 0.01, 0.00, 0.00) 248: electro ( -2.668, 9.632, 1.310) ( -2.668, 9.632, 1.309) ( 0.00, 0.00, 0.00) 248: 12 ( -0.015, -0.043, -0.016) ( -0.014, -0.042, -0.013) ( 0.00, 0.01, 0.00) 288/333 Test #28: test_builder_1 ......................................................................................***Timeout 1500.04 sec Starting forcefield.sdf /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr test 294 Start 294: pybindtest_example 294: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testexample.py" 294: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 294: Environment variables: 294: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 294: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 294: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 294: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 294: Test timeout computed to be: 1500 252: 1 ( 1.436, 0.635, -0.080) ( 1.441, 0.640, -0.074) ( 0.35, 0.34, 0.05) 252: bond ( 0.905, 2.623, 8.120) ( 0.909, 2.627, 8.124) ( 0.37, 0.15, 0.05) 252: angle ( 7.385, 0.772, -9.892) ( 7.388, 0.774, -9.889) ( 0.03, 0.16, 0.02) 252: strbnd ( 0.181, 1.490, -0.840) ( 0.180, 1.489, -0.841) ( 0.02, 0.06, 0.05) 252: torsion ( -3.658, -1.057, 2.616) ( -3.658, -1.057, 2.616) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.221, -3.068, -0.045) ( -3.221, -3.068, -0.045) ( 0.00, 0.00, 0.00) 252: electro ( -0.156, -0.125, -0.039) ( -0.156, -0.125, -0.039) ( 0.00, 0.00, 0.00) 252: 2 ( 0.736, 0.034, 0.004) ( 0.742, 0.039, 0.010) ( 0.41, 0.02, 0.00) 252: bond ( 11.123, -1.351, -2.048) ( 11.127, -1.347, -2.044) ( 0.04, 0.29, 0.21) 252: angle ( -8.045, 1.278, 9.737) ( -8.043, 1.280, 9.739) ( 0.03, 0.16, 0.02) 252: strbnd ( 0.965, -2.280, 1.631) ( 0.965, -2.281, 1.630) ( 0.07, 0.04, 0.02) 252: torsion ( 4.294, 0.736, -3.479) ( 4.294, 0.736, -3.478) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -7.601, 1.652, -5.836) ( -7.601, 1.652, -5.836) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( 0.562, 0.076, -0.092) ( 0.566, 0.081, -0.087) ( 0.27, 0.04, 0.05) 252: bond ( 6.097, -9.677, 17.390) ( 6.101, -9.673, 17.394) ( 0.06, 0.04, 0.02) 252: angle ( -1.378, 4.252, -13.110) ( -1.376, 4.254, -13.108) ( 0.15, 0.05, 0.02) 252: strbnd ( 0.257, 0.181, -0.552) ( 0.256, 0.180, -0.552) ( 0.03, 0.01, 0.03) 252: torsion ( -0.355, 2.764, 0.802) ( -0.355, 2.764, 0.802) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.059, 2.557, -4.623) ( -4.059, 2.557, -4.623) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 4 ( 1.512, 0.156, -0.055) ( 1.517, 0.176, 0.019) ( 0.34, 0.31, 0.40) 252: bond ( 8.642, 10.885, -8.146) ( 8.646, 10.889, -8.142) ( 0.04, 0.04, 0.05) 252: angle ( -7.598, -8.113, 12.883) ( -7.596, -8.111, 12.884) ( 0.03, 0.02, 0.01) 252: strbnd ( -1.384, 1.903, -1.050) ( -1.385, 1.903, -1.050) ( 0.08, 0.03, 0.05) 252: torsion ( 3.685, 2.177, -4.847) ( 3.685, 2.177, -4.846) ( 0.00, 0.00, 0.00) 252: oop ( -0.002, -0.088, -0.446) ( -0.002, -0.075, -0.377) ( 0.00, 0.12, 3.03) 252: vdw ( -1.895, -6.707, 1.430) ( -1.894, -6.706, 1.430) ( 0.00, 0.00, 0.00) 252: electro ( 0.063, 0.099, 0.121) ( 0.063, 0.099, 0.121) ( 0.00, 0.00, 0.00) 252: 5 ( -8.945, 4.312, -0.274) ( -8.934, 4.277, -0.481) ( 0.12, 0.80, 5.66) 252: bond (-12.705, 14.137, -1.636) (-12.697, 14.141, -1.636) ( 0.06, 0.03, 0.02) 252: angle ( 1.253, 3.126, -9.477) ( 1.254, 3.128, -9.476) ( 0.12, 0.05, 0.01) 252: strbnd ( 1.419, -3.117, 0.027) ( 1.419, -3.117, 0.027) ( 0.04, 0.02, 0.00) 252: torsion ( -0.255, 1.581, 7.797) ( -0.255, 1.581, 7.798) ( 0.00, 0.00, 0.01) 252: oop ( -0.011, 0.244, 1.272) ( -0.008, 0.203, 1.063) ( 0.00, 0.98, 16.38) 252: vdw ( 0.999, -11.742, 1.783) ( 0.999, -11.742, 1.783) ( 0.02, 0.00, 0.00) 252: electro ( 0.355, 0.083, -0.040) ( 0.355, 0.083, -0.040) ( 0.00, 0.00, 0.00) 252: 6 ( 8.712, -4.725, 1.481) ( 8.721, -4.712, 1.502) ( 0.11, 0.28, 1.43) 252: bond ( 3.884, 4.853, -0.204) ( 3.892, 4.858, -0.204) ( 0.19, 0.11, 0.01) 252: angle ( 1.621, -0.921, 2.154) ( 1.622, -0.919, 2.155) ( 0.08, 0.16, 0.02) 252: strbnd ( -1.690, 1.656, -0.349) ( -1.691, 1.655, -0.349) ( 0.04, 0.03, 0.00) 294: .. 294: ---------------------------------------------------------------------- 294: Ran 2 tests in 0.013s 294: 294: OK 289/333 Test #294: pybindtest_example .................................................................................. Passed 0.78 sec test 295 Start 295: pybindtest_obconv_writers 295: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py" 295: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 295: Environment variables: 295: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 295: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 295: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 295: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 295: Test timeout computed to be: 1500 295: ......................................../usr/lib/python3.14/tempfile.py:484: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmpo874uout.fps'>> 295: _warnings.warn(self.warn_message, ResourceWarning) 295: ...................................................................................................F. 295: ====================================================================== 295: FAIL: test_default (__main__.TestYOB.test_default) 295: ---------------------------------------------------------------------- 295: Traceback (most recent call last): 295: File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py", line 4060, in test_default 295: self.assertBinaryWriters(self.fmt, b'YMOB\x90\x00\x00\x00\x06\x00\x00\x00\x88\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\xff\xff\xff\x7f\x08\x00\x00\x00$\x01\x00\x00\x07\x00\x00\x00\x01\x00\x00\x00\x06\x00\x00\x00\x02\x04\x06@\x04\x95\xfd\xffF\xf6\xff\xff\x00\x00\x00\x00\x05\x00\x00\x02\x01\x00\x00\x01\x03\x00\x00\x00C UNK 1\x02\x04\x06@\x9a\x9a\xfd\xff\x0e}\x01\x00\x00\x00\x00\x00\x00\x00\x00\x01\x02\x00\x00\x02\x03\x00\x00\x00C UNK 1\x02\x04\x06@\xfaJ\xfc\xffTE\x02\x00\x00\x00\x00\x00\x01\x00\x00\x02\x03\x00\x00\x01\x03\x00\x00\x00C UNK 1\x02\x04\x06@\xba\xf5\xfa\xff\xc8\x86\x01\x00\x00\x00\x00\x00\x02\x00\x00\x01\x04\x00\x00\x02\x03\x00\x00\x00C UNK 1\x02\x04\x06@\x1a\xf0\xfa\xff\x00\x00\x00\x00\x00\x00\x00\x00\x03\x00\x00\x02\x05\x00\x00\x01\x03\x00\x00\x00C UNK 1\x03\x04\x06@\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x02\x04\x00\x00\x01\x06\x00\x00\x01\x03\x00\x00\x00C UNK 1\x01\x04\x08@\xd2\x86\x01\x00\xfe\x01\x00\x00\x00\x00\x00\x00\x05\x00\x00\x01\x03\x00\x00\x00O UNK 1') 295: ~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 295: File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py", line 272, in assertBinaryWriters 295: test_binary_write_string(self, mol, conv, expected_output, normalize) 295: ~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ 295: File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py", line 174, in test_binary_write_string 295: test_case.assertEqual(output, expected_output) 295: ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^ 295: AssertionError: b'YMO[666 chars]d\xffG\xf6\xff\xff\x00\x00\x00\x00\x05\x00\x00[758 chars] 1' != b'YMO[666 chars]d\xffF\xf6\xff\xff\x00\x00\x00\x00\x05\x00\x00[758 chars] 1' 295: 295: ---------------------------------------------------------------------- 295: Ran 141 tests in 1.319s 295: 295: FAILED (failures=1) 290/333 Test #295: pybindtest_obconv_writers ...........................................................................***Failed Error regular expression found in output. Regex=[FAIL] 1.86 sec ......................................../usr/lib/python3.14/tempfile.py:484: ResourceWarning: Implicitly cleaning up <_TemporaryFileWrapper file=<_io.BufferedRandom name='/tmp/tmpo874uout.fps'>> _warnings.warn(self.warn_message, ResourceWarning) ...................................................................................................F. ====================================================================== FAIL: test_default (__main__.TestYOB.test_default) ---------------------------------------------------------------------- Traceback (most recent call last): File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py", line 4060, in test_default self.assertBinaryWriters(self.fmt, b'YMOB\x90\x00\x00\x00\x06\x00\x00\x00\x88\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\xf0?\xff\xff\xff\x7f\x08\x00\x00\x00$\x01\x00\x00\x07\x00\x00\x00\x01\x00\x00\x00\x06\x00\x00\x00\x02\x04\x06@\x04\x95\xfd\xffF\xf6\xff\xff\x00\x00\x00\x00\x05\x00\x00\x02\x01\x00\x00\x01\x03\x00\x00\x00C UNK 1\x02\x04\x06@\x9a\x9a\xfd\xff\x0e}\x01\x00\x00\x00\x00\x00\x00\x00\x00\x01\x02\x00\x00\x02\x03\x00\x00\x00C UNK 1\x02\x04\x06@\xfaJ\xfc\xffTE\x02\x00\x00\x00\x00\x00\x01\x00\x00\x02\x03\x00\x00\x01\x03\x00\x00\x00C UNK 1\x02\x04\x06@\xba\xf5\xfa\xff\xc8\x86\x01\x00\x00\x00\x00\x00\x02\x00\x00\x01\x04\x00\x00\x02\x03\x00\x00\x00C UNK 1\x02\x04\x06@\x1a\xf0\xfa\xff\x00\x00\x00\x00\x00\x00\x00\x00\x03\x00\x00\x02\x05\x00\x00\x01\x03\x00\x00\x00C UNK 1\x03\x04\x06@\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x00\x02\x04\x00\x00\x01\x06\x00\x00\x01\x03\x00\x00\x00C UNK 1\x01\x04\x08@\xd2\x86\x01\x00\xfe\x01\x00\x00\x00\x00\x00\x00\x05\x00\x00\x01\x03\x00\x00\x00O UNK 1') ~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py", line 272, in assertBinaryWriters test_binary_write_string(self, mol, conv, expected_output, normalize) ~~~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testobconv_writers.py", line 174, in test_binary_write_string test_case.assertEqual(output, expected_output) ~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^ AssertionError: b'YMO[666 chars]d\xffG\xf6\xff\xff\x00\x00\x00\x00\x05\x00\x00[758 chars] 1' != b'YMO[666 chars]d\xffF\xf6\xff\xff\x00\x00\x00\x00\x05\x00\x00[758 chars] 1' ---------------------------------------------------------------------- Ran 141 tests in 1.319s FAILED (failures=1) test 296 Start 296: pybindtest_cdjsonformat 296: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testcdjsonformat.py" 296: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 296: Environment variables: 296: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 296: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 296: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 296: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 296: Test timeout computed to be: 1500 296: ............ 296: ---------------------------------------------------------------------- 296: Ran 12 tests in 0.049s 296: 296: OK 291/333 Test #296: pybindtest_cdjsonformat ............................................................................. Passed 0.76 sec test 297 Start 297: pybindtest_ketformat 297: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testketformat.py" 297: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 297: Environment variables: 297: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 297: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 297: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 297: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 297: Test timeout computed to be: 1500 250: torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04) 250: bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) 250: angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) 250: strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) 250: torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) 250: vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) 250: electro ( 0.674, 0.126, 0.022) ( 0.674, 0.126, 0.022) ( 0.00, 0.00, 0.00) 250: 36 ( -1.808, 0.308, -0.348) ( -1.805, 0.309, -0.348) ( 0.20, 0.02, 0.00) 250: bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) 250: angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) 250: strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) 250: torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) 250: electro ( 0.777, -0.150, 0.089) ( 0.777, -0.150, 0.089) ( 0.00, 0.00, 0.00) 250: 37 ( -1.444, 1.619, -0.423) ( -1.443, 1.622, -0.422) ( 0.07, 0.20, 0.08) 250: bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) 250: angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) 250: strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) 250: vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) 250: electro ( -0.014, -0.594, 0.068) ( -0.014, -0.594, 0.068) ( 0.00, 0.00, 0.00) 250: 38 ( 0.288, 1.218, -0.020) ( 0.290, 1.221, -0.017) ( 0.05, 0.25, 0.01) 250: bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) 250: angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) 250: strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) 250: torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) 250: oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) 250: vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) 250: electro ( -1.298, 1.817, -0.456) ( -1.298, 1.817, -0.456) ( 0.00, 0.00, 0.00) 250: 39 ( 4.199, -12.580, 1.746) ( 4.207, -12.584, 1.687) ( 0.18, 0.03, 3.36) 250: bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) 250: angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) 250: strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) 250: torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) 250: oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) 250: vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) 250: electro ( -6.258, 3.484, -0.293) ( -6.258, 3.484, -0.293) ( 0.00, 0.00, 0.00) 250: ok 28 # gradients 250: ok 29 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 297: ............============================== 297: *** Open Babel Error in KETFormat 297: unsupported KET major version: 3.0.0 297: ............... 297: ---------------------------------------------------------------------- 297: Ran 27 tests in 0.060s 297: 297: OK 292/333 Test #297: pybindtest_ketformat ................................................................................ Passed 0.71 sec test 298 Start 298: pybindtest_pcjsonformat 298: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testpcjsonformat.py" 298: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 298: Environment variables: 298: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 298: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 298: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 298: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 298: Test timeout computed to be: 1500 298: ................. 298: ---------------------------------------------------------------------- 298: Ran 17 tests in 0.049s 298: 298: OK 293/333 Test #298: pybindtest_pcjsonformat ............................................................................. Passed 0.73 sec test 299 Start 299: pybindtest_roundtrip 299: Test command: /usr/bin/python3 "/build/reproducible-path/openbabel-3.2.0+dfsg/test/testroundtrip.py" 299: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 299: Environment variables: 299: PYTHONPATH=/build/reproducible-path/openbabel-3.2.0+dfsg/scripts/python:/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu 299: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 299: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 299: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 299: Test timeout computed to be: 1500 248: bond ( -0.064, -0.227, -0.383) ( -0.063, -0.226, -0.380) ( 0.00, 0.02, 0.10) 248: angle ( -5.122, -0.874, 1.372) ( -5.121, -0.873, 1.372) ( 0.01, 0.03, 0.01) 248: strbnd ( 0.712, 0.432, 0.989) ( 0.712, 0.432, 0.989) ( 0.00, 0.00, 0.00) 248: torsion ( 0.289, -0.711, 0.374) ( 0.289, -0.711, 0.374) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.169, 1.337, -2.368) ( 4.169, 1.337, -2.368) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 13 ( 0.009, -0.036, -0.036) ( 0.011, -0.034, -0.035) ( 0.00, 0.01, 0.00) 248: bond ( 7.080, -17.260, 8.482) ( 7.081, -17.259, 8.482) ( 0.02, 0.01, 0.00) 248: angle ( -5.148, 2.623, -1.308) ( -5.148, 2.624, -1.307) ( 0.00, 0.03, 0.05) 248: strbnd ( -0.387, 6.300, -1.373) ( -0.387, 6.299, -1.373) ( 0.00, 0.01, 0.00) 248: torsion ( 0.837, 0.450, 0.871) ( 0.837, 0.450, 0.871) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.152, 6.289, -6.678) ( -2.152, 6.289, -6.677) ( 0.01, 0.00, 0.00) 248: electro ( -0.220, 1.563, -0.030) ( -0.220, 1.563, -0.030) ( 0.00, 0.00, 0.00) 248: 14 ( 3.917, 5.394, 1.410) ( -0.341, 0.047, -0.005) (108.71, 99.13, 100.32) 248: bond ( 1.728, 7.650, -26.617) ( 1.731, 7.651, -26.606) ( 0.18, 0.02, 0.04) 248: angle (-12.444, -3.256, -6.802) (-12.443, -3.255, -6.800) ( 0.01, 0.03, 0.03) 248: strbnd ( -0.283, -8.072, 23.375) ( -0.284, -8.072, 23.374) ( 0.01, 0.00, 0.01) 248: torsion ( -1.208, -7.791, 2.702) ( -1.208, -7.791, 2.702) ( 0.01, 0.00, 0.00) 248: oop ( 16.911, 22.685, 7.558) ( 12.649, 17.335, 6.131) (25.21, 23.58, 18.88) 248: vdw ( -7.544, -1.421, 3.983) ( -7.544, -1.421, 3.983) ( 0.00, 0.00, 0.00) 248: electro ( 6.757, -4.401, -2.789) ( 6.757, -4.401, -2.789) ( 0.00, 0.00, 0.00) 248: 15 ( 0.005, 0.033, -0.033) ( 0.006, 0.036, -0.032) ( 0.00, 0.01, 0.00) 248: bond ( -0.124, -3.231, -0.971) ( -0.124, -3.228, -0.971) ( 0.00, 0.10, 0.03) 248: angle ( 4.975, 0.074, -0.882) ( 4.976, 0.074, -0.882) ( 0.01, 0.00, 0.04) 248: strbnd ( -1.156, 1.633, -0.157) ( -1.156, 1.633, -0.157) ( 0.00, 0.00, 0.00) 248: torsion ( -0.003, -0.118, 0.391) ( -0.003, -0.118, 0.391) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -3.688, 1.674, 1.586) ( -3.688, 1.674, 1.586) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 16 ( -2.750, -3.359, -1.104) ( -0.093, -0.188, -0.129) (96.60, 94.39, 88.36) 248: bond ( -4.283, -2.663, 20.496) ( -4.282, -2.663, 20.505) ( 0.01, 0.00, 0.05) 248: angle ( -0.168, 2.881, 0.339) ( -0.168, 2.882, 0.339) ( 0.01, 0.01, 0.00) 248: strbnd ( 4.201, 1.886, -19.314) ( 4.201, 1.886, -19.314) ( 0.00, 0.01, 0.00) 248: torsion ( 1.537, 3.049, 0.717) ( 1.537, 3.049, 0.717) ( 0.00, 0.00, 0.00) 248: oop ( -7.000, -8.683, -2.589) ( -4.344, -5.513, -1.623) (37.94, 36.51, 37.31) 248: vdw ( -3.415, -0.431, 2.105) ( -3.415, -0.431, 2.105) ( 0.00, 0.00, 0.00) 248: electro ( 6.378, 0.602, -2.858) ( 6.378, 0.602, -2.858) ( 0.00, 0.00, 0.00) 248: 17 ( 0.022, -0.029, -0.074) ( 0.027, -0.025, -0.069) ( 0.01, 0.01, 0.03) 248: bond ( -7.091, 2.130, -1.977) ( -7.088, 2.132, -1.974) ( 0.05, 0.14, 0.17) 248: angle ( 4.462, 8.345, -1.889) ( 4.464, 8.347, -1.887) ( 0.04, 0.02, 0.09) 248: strbnd ( 3.433, -7.634, 3.029) ( 3.432, -7.635, 3.028) ( 0.02, 0.01, 0.02) 248: torsion ( -1.295, -0.201, -0.359) ( -1.295, -0.201, -0.359) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.062, -0.722, -2.668) ( -0.062, -0.722, -2.667) ( 0.00, 0.00, 0.04) 252: oop ( -0.011, -0.030, -0.074) ( -0.010, -0.023, -0.055) ( 0.00, 0.02, 0.14) 252: vdw ( 4.938, -9.590, 2.718) ( 4.938, -9.589, 2.718) ( 0.00, 0.00, 0.00) 252: electro ( 0.032, 0.028, -0.096) ( 0.032, 0.028, -0.096) ( 0.00, 0.00, 0.00) 252: 7 ( -1.422, 0.562, -0.406) ( -1.418, 0.571, -0.376) ( 0.28, 0.47, 1.19) 252: bond (-11.282, 11.208, 0.541) (-11.278, 11.212, 0.545) ( 0.04, 0.03, 0.24) 252: angle ( 9.286, -4.053, -3.402) ( 9.288, -4.051, -3.400) ( 0.02, 0.05, 0.04) 252: strbnd ( 0.811, -0.072, -0.853) ( 0.810, -0.073, -0.854) ( 0.06, 0.01, 0.03) 252: torsion ( -1.331, -0.869, 0.696) ( -1.331, -0.869, 0.696) ( 0.00, 0.00, 0.02) 252: oop ( 0.009, -0.020, -0.131) ( 0.007, -0.017, -0.108) ( 0.00, 0.01, 0.31) 252: vdw ( 0.881, -5.592, 2.703) ( 0.881, -5.592, 2.703) ( 0.01, 0.00, 0.00) 252: electro ( 0.204, -0.039, 0.041) ( 0.204, -0.039, 0.041) ( 0.00, 0.00, 0.00) 252: 8 ( 0.736, 0.178, 0.067) ( 0.740, 0.183, 0.072) ( 0.35, 0.09, 0.04) 252: bond ( -1.261, -2.729, -19.147) ( -1.258, -2.725, -19.143) ( 0.27, 0.13, 0.02) 252: angle ( -9.942, 7.503, 26.405) ( -9.940, 7.505, 26.407) ( 0.02, 0.03, 0.01) 252: strbnd ( 4.138, 2.113, 0.872) ( 4.137, 2.112, 0.871) ( 0.02, 0.04, 0.03) 252: torsion ( 2.267, -2.809, -7.166) ( 2.267, -2.809, -7.166) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.533, -3.900, -0.897) ( 5.533, -3.899, -0.897) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 9 ( 0.364, 0.232, -0.008) ( 0.369, 0.237, -0.002) ( 0.20, 0.11, 0.00) 252: bond ( -6.983, 11.163, 5.799) ( -6.980, 11.166, 5.803) ( 0.06, 0.03, 0.07) 252: angle ( 6.589, 0.564, -10.864) ( 6.592, 0.566, -10.862) ( 0.04, 0.12, 0.02) 252: strbnd ( -4.331, -9.696, 0.323) ( -4.332, -9.697, 0.323) ( 0.02, 0.01, 0.01) 252: torsion ( 0.192, 1.536, 1.287) ( 0.192, 1.536, 1.287) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.897, -3.334, 3.446) ( 4.897, -3.334, 3.447) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 10 ( 0.279, 0.320, 0.215) ( 0.284, 0.326, 0.221) ( 0.13, 0.18, 0.13) 252: bond ( 3.926, 16.947, -8.842) ( 3.929, 16.951, -8.838) ( 0.09, 0.02, 0.05) 252: angle ( -6.642, -8.727, 8.491) ( -6.640, -8.725, 8.493) ( 0.03, 0.02, 0.02) 252: strbnd ( -1.913, -4.925, 2.830) ( -1.914, -4.925, 2.830) ( 0.05, 0.01, 0.02) 252: torsion ( -1.013, -0.173, -1.195) ( -1.013, -0.173, -1.195) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.922, -2.802, -1.070) ( 5.922, -2.802, -1.070) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 11 ( 0.045, 0.535, 0.496) ( 0.051, 0.539, 0.502) ( 0.03, 0.24, 0.29) 252: bond (-22.008, -2.471, -8.891) (-22.004, -2.468, -8.886) ( 0.02, 0.14, 0.05) 252: angle ( 15.128, 5.024, 5.636) ( 15.130, 5.026, 5.638) ( 0.01, 0.04, 0.03) 252: strbnd ( 6.334, 1.549, 3.089) ( 6.333, 1.548, 3.089) ( 0.01, 0.06, 0.02) 252: torsion ( -1.616, 1.448, 1.166) ( -1.616, 1.448, 1.166) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.209, -5.015, -0.504) ( 2.209, -5.015, -0.504) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 12 ( 0.018, -0.028, -0.133) ( 0.022, -0.023, -0.128) ( 0.01, 0.01, 0.07) 250: 1 (-37.071, -81.376, -8.715) (-37.065, -81.370, -8.711) ( 0.01, 0.01, 0.06) 250: bond ( -6.927, -6.224, 0.204) ( -6.923, -6.219, 0.208) ( 0.06, 0.08, 0.07) 250: angle (-43.402, -92.594, -5.039) (-43.401, -92.592, -5.037) ( 0.00, 0.00, 0.03) 250: strbnd ( 17.017, 19.808, -1.013) ( 17.017, 19.807, -1.014) ( 0.00, 0.00, 0.03) 250: torsion ( -0.140, 0.089, -0.286) ( -0.140, 0.089, -0.286) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.619, -2.454, -2.581) ( -3.619, -2.454, -2.581) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 2 (-39.440, 2.545, 50.699) (-39.434, 2.550, 50.705) ( 0.01, 0.18, 0.01) 250: bond ( 2.221, 0.743, -4.295) ( 2.225, 0.746, -4.291) ( 0.19, 0.23, 0.10) 250: angle (-30.186, 6.101, 43.460) (-30.184, 6.103, 43.462) ( 0.01, 0.03, 0.00) 250: strbnd ( -8.549, -6.318, 14.014) ( -8.550, -6.318, 14.014) ( 0.01, 0.01, 0.00) 250: torsion ( -0.634, -0.131, -0.999) ( -0.634, -0.131, -0.999) ( 0.00, 0.00, 0.01) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.292, 2.150, -1.482) ( -2.292, 2.150, -1.482) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 3 ( -1.587, 40.280, -47.662) ( -1.722, 39.405, -48.005) ( 8.54, 2.17, 0.72) 250: bond ( -0.509, 0.513, -6.367) ( -0.504, 0.517, -6.364) ( 0.25, 0.20, 0.05) 250: angle ( 13.510, 14.854, -42.989) ( 13.512, 14.856, -42.987) ( 0.01, 0.01, 0.00) 250: strbnd (-14.490, 2.857, -6.469) (-14.491, 2.857, -6.469) ( 0.01, 0.01, 0.01) 250: torsion ( 0.820, 13.476, 6.086) ( 0.820, 13.476, 6.086) ( 0.00, 0.00, 0.00) 250: oop ( -0.965, 7.596, 5.726) ( -1.106, 6.716, 5.379) (13.62, 11.59, 6.06) 250: vdw ( 0.470, 0.645, -3.276) ( 0.471, 0.645, -3.276) ( 0.00, 0.00, 0.00) 250: electro ( -0.424, 0.339, -0.373) ( -0.424, 0.339, -0.373) ( 0.00, 0.00, 0.00) 250: 4 ( -3.751, 47.995, 62.741) ( -3.746, 48.001, 62.747) ( 0.14, 0.01, 0.01) 250: bond ( -1.086, 2.486, 9.511) ( -1.082, 2.490, 9.516) ( 0.33, 0.17, 0.05) 250: angle ( -4.863, 51.765, 70.840) ( -4.861, 51.767, 70.842) ( 0.04, 0.00, 0.00) 250: strbnd ( 4.026, -10.734, -19.678) ( 4.025, -10.735, -19.679) ( 0.01, 0.01, 0.00) 250: torsion ( 0.144, 0.700, -0.367) ( 0.144, 0.700, -0.367) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.972, 3.779, 2.435) ( -1.972, 3.779, 2.435) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 (-38.271, -131.602, -55.190) (-37.474, -129.364, -53.224) ( 2.08, 1.70, 3.56) 250: bond ( 8.677, -20.361, -12.122) ( 8.681, -20.358, -12.120) ( 0.05, 0.02, 0.02) 250: angle (-36.816, -71.485, 11.280) (-36.815, -71.484, 11.281) ( 0.00, 0.00, 0.01) 250: strbnd ( 12.873, -5.181, 7.752) ( 12.873, -5.181, 7.752) ( 0.00, 0.00, 0.01) 250: torsion (-12.225, -29.725, -36.119) (-12.225, -29.725, -36.119) ( 0.00, 0.00, 0.00) 250: oop ( -5.173, -18.341, -24.805) ( -4.382, -16.108, -22.842) (15.29, 12.17, 7.91) 250: vdw ( -5.982, 13.988, -1.401) ( -5.982, 13.988, -1.401) ( 0.00, 0.00, 0.00) 250: electro ( 0.375, -0.497, 0.224) ( 0.375, -0.497, 0.224) ( 0.00, 0.00, 0.00) 250: 6 ( 59.513, 60.458, 25.145) ( 58.727, 59.176, 24.316) ( 1.32, 2.12, 3.30) 250: bond ( -6.489, -13.464, 18.197) ( -6.484, -13.459, 18.199) ( 0.07, 0.03, 0.01) 250: angle ( 37.474, 50.266, -17.881) ( 37.475, 50.267, -17.880) ( 0.00, 0.00, 0.00) 250: strbnd ( -3.586, -8.839, 8.084) ( -3.586, -8.840, 8.084) ( 0.01, 0.00, 0.00) 248: vdw ( 0.436, 1.064, -0.784) ( 0.436, 1.064, -0.784) ( 0.00, 0.00, 0.00) 248: electro ( 0.078, -3.732, 1.907) ( 0.078, -3.732, 1.907) ( 0.00, 0.00, 0.00) 248: 18 ( -0.527, 0.717, 0.247) ( -0.131, -0.014, -0.098) (20.83, 52.36, 8.52) 248: bond ( 2.690, -5.259, -9.175) ( 2.694, -5.255, -9.171) ( 0.14, 0.07, 0.05) 248: angle ( 0.459, 8.749, 5.203) ( 0.461, 8.751, 5.206) ( 0.09, 0.02, 0.04) 248: strbnd ( 3.654, -2.284, -2.072) ( 3.653, -2.285, -2.073) ( 0.03, 0.02, 0.02) 248: torsion ( 2.026, -5.810, 3.568) ( 2.026, -5.810, 3.568) ( 0.00, 0.00, 0.00) 248: oop ( -2.189, 4.693, 2.103) ( -1.798, 3.957, 1.752) (17.86, 15.67, 16.70) 248: vdw ( 0.057, -1.642, 0.671) ( 0.057, -1.642, 0.671) ( 0.00, 0.00, 0.00) 248: electro ( -7.224, 2.269, -0.051) ( -7.224, 2.269, -0.051) ( 0.00, 0.00, 0.00) 248: 19 ( 0.014, -0.054, 0.035) ( 0.020, -0.048, 0.040) ( 0.01, 0.03, 0.02) 248: bond ( -4.572, 7.582, 9.251) ( -4.568, 7.586, 9.256) ( 0.10, 0.06, 0.05) 248: angle ( 4.311, -10.172, -3.123) ( 4.312, -10.170, -3.121) ( 0.04, 0.02, 0.06) 248: strbnd ( -2.161, 2.017, 1.879) ( -2.161, 2.016, 1.878) ( 0.02, 0.03, 0.04) 248: torsion ( -0.707, -0.056, -0.329) ( -0.707, -0.056, -0.328) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 3.144, 0.575, -7.644) ( 3.144, 0.575, -7.644) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 20 ( 0.055, 0.023, -0.083) ( 0.061, 0.028, -0.077) ( 0.03, 0.01, 0.05) 248: bond ( -7.858, -5.077, -5.109) ( -7.854, -5.072, -5.105) ( 0.05, 0.09, 0.09) 248: angle ( 6.358, 2.036, 6.266) ( 6.360, 2.038, 6.268) ( 0.03, 0.09, 0.03) 248: strbnd ( -2.171, -0.422, -1.231) ( -2.172, -0.423, -1.232) ( 0.04, 0.02, 0.05) 248: torsion ( 0.971, -0.883, -0.568) ( 0.971, -0.883, -0.568) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.756, 4.369, 0.559) ( 2.756, 4.369, 0.559) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 21 ( 1.073, 0.070, -0.862) ( 0.111, -0.108, -0.067) (89.62, 1.25, 68.53) 248: bond ( -7.303, 18.452, -4.755) ( -7.301, 18.461, -4.751) ( 0.03, 0.05, 0.10) 248: angle ( 11.493, -17.158, 1.980) ( 11.494, -17.156, 1.981) ( 0.01, 0.01, 0.07) 248: strbnd ( -4.739, 3.053, -5.420) ( -4.739, 3.052, -5.421) ( 0.01, 0.04, 0.02) 248: torsion ( -1.507, 0.152, 2.650) ( -1.507, 0.152, 2.650) ( 0.01, 0.00, 0.00) 248: oop ( 5.247, 1.013, -4.389) ( 4.282, 0.825, -3.599) (18.39, 18.57, 18.00) 248: vdw ( -2.898, -4.553, 6.605) ( -2.898, -4.553, 6.605) ( 0.00, 0.00, 0.00) 248: electro ( 0.780, -0.889, 2.467) ( 0.780, -0.889, 2.467) ( 0.00, 0.00, 0.00) 248: 22 ( 0.011, 0.068, 0.026) ( 0.012, 0.070, 0.029) ( 0.00, 0.01, 0.01) 248: bond ( 0.328, -2.247, -3.859) ( 0.328, -2.246, -3.857) ( 0.00, 0.04, 0.06) 248: angle ( -0.121, 1.446, -0.853) ( -0.120, 1.446, -0.853) ( 0.01, 0.03, 0.01) 248: strbnd ( 0.002, 0.481, 0.353) ( 0.002, 0.481, 0.353) ( 0.00, 0.00, 0.00) 248: torsion ( -2.329, -0.221, -0.069) ( -2.329, -0.221, -0.069) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.131, 0.609, 4.454) ( 2.131, 0.609, 4.454) ( 0.01, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( -0.191, -0.011, 0.189) ( 0.002, 0.035, 0.026) ( 3.69, 0.05, 3.08) 248: bond ( 2.346, -0.713, 2.597) ( 2.348, -0.708, 2.600) ( 0.09, 0.35, 0.10) 252: bond (-12.958, 14.537, 15.529) (-12.956, 14.540, 15.533) ( 0.02, 0.02, 0.03) 252: angle ( 5.486, -21.711, -16.528) ( 5.488, -21.709, -16.526) ( 0.04, 0.01, 0.01) 252: strbnd ( 4.156, 8.341, -1.058) ( 4.155, 8.340, -1.059) ( 0.02, 0.01, 0.04) 252: torsion ( 0.521, -0.105, -0.116) ( 0.521, -0.105, -0.116) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.814, -1.090, 2.040) ( 2.814, -1.090, 2.040) ( 0.00, 0.01, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 ( -0.345, -0.098, -0.425) ( -0.340, -0.093, -0.420) ( 0.16, 0.05, 0.21) 252: bond ( 19.196, -25.927, -5.472) ( 19.199, -25.923, -5.468) ( 0.02, 0.01, 0.07) 252: angle (-20.973, 31.110, 6.384) (-20.971, 31.112, 6.386) ( 0.01, 0.01, 0.03) 252: strbnd ( -1.801, -4.659, 1.967) ( -1.802, -4.660, 1.966) ( 0.04, 0.02, 0.03) 252: torsion ( 2.190, -1.303, -1.287) ( 2.190, -1.303, -1.287) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.043, 0.681, -2.017) ( 1.043, 0.681, -2.017) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 14 ( -0.307, -0.668, -1.189) ( -0.302, -0.663, -1.183) ( 0.14, 0.32, 0.49) 252: bond (-22.467, 22.959, -11.970) (-22.463, 22.963, -11.965) ( 0.01, 0.02, 0.04) 252: angle ( 20.677, -26.111, 8.252) ( 20.679, -26.109, 8.254) ( 0.01, 0.01, 0.02) 252: strbnd ( 1.372, -1.663, -0.432) ( 1.371, -1.664, -0.432) ( 0.07, 0.05, 0.02) 252: torsion ( -0.738, 1.381, 1.027) ( -0.738, 1.381, 1.027) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.849, 2.766, 1.934) ( 0.849, 2.766, 1.934) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 15 ( -0.779, -0.703, -0.742) ( -0.774, -0.698, -0.735) ( 0.36, 0.34, 0.45) 252: bond ( 11.046, -27.491, 7.813) ( 11.049, -27.488, 7.817) ( 0.03, 0.01, 0.06) 252: angle (-13.695, 29.364, -9.854) (-13.693, 29.366, -9.852) ( 0.01, 0.01, 0.02) 252: strbnd ( -1.160, 1.909, -1.027) ( -1.161, 1.909, -1.027) ( 0.08, 0.04, 0.03) 252: torsion ( 0.502, -0.879, -1.143) ( 0.502, -0.879, -1.143) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.527, -3.606, 3.470) ( 2.528, -3.606, 3.470) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 16 ( -1.065, -0.614, 1.036) ( -1.061, -0.609, 1.042) ( 0.45, 0.30, 0.57) 252: bond ( -9.763, 20.766, -9.836) ( -9.759, 20.769, -9.832) ( 0.04, 0.02, 0.05) 252: angle ( 9.857, -21.778, 9.882) ( 9.859, -21.776, 9.884) ( 0.02, 0.01, 0.02) 252: strbnd ( 0.357, 0.332, 0.998) ( 0.356, 0.331, 0.998) ( 0.03, 0.03, 0.03) 252: torsion ( -0.978, 0.700, 0.353) ( -0.978, 0.700, 0.353) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.539, -0.634, -0.360) ( -0.539, -0.634, -0.360) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 17 ( -1.087, -1.069, 0.177) ( -1.083, -1.064, 0.183) ( 0.43, 0.46, 0.10) 252: bond ( -1.901, -13.454, 13.464) ( -1.897, -13.450, 13.468) ( 0.18, 0.03, 0.03) 252: angle ( 1.193, 9.826, -16.679) ( 1.195, 9.828, -16.677) ( 0.18, 0.02, 0.01) 252: strbnd ( -3.337, 0.795, 1.409) ( -3.338, 0.794, 1.408) ( 0.03, 0.08, 0.02) 252: torsion ( 0.974, 1.005, 1.909) ( 0.974, 1.005, 1.909) ( 0.00, 0.01, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( 14.651, 15.387, 15.614) ( 14.652, 15.387, 15.614) ( 0.00, 0.00, 0.00) 250: oop ( 6.902, 8.223, 9.114) ( 6.110, 6.936, 8.282) (11.47, 15.66, 9.13) 250: vdw ( 10.851, 9.567, -8.214) ( 10.851, 9.567, -8.214) ( 0.00, 0.00, 0.00) 250: electro ( -0.290, -0.682, 0.230) ( -0.290, -0.682, 0.230) ( 0.00, 0.00, 0.00) 250: 7 (-98.956, -30.139, 2.983) (-97.624, -30.391, 3.584) ( 1.35, 0.84, 20.16) 250: bond (-36.725, -4.863, 0.794) (-36.719, -4.859, 0.795) ( 0.01, 0.08, 0.10) 250: angle (-40.863, -11.120, -0.055) (-40.862, -11.119, -0.054) ( 0.00, 0.01, 0.00) 250: strbnd (-15.761, -19.921, -0.231) (-15.761, -19.921, -0.231) ( 0.00, 0.00, 0.00) 250: torsion (-16.151, -0.989, 6.996) (-16.151, -0.989, 6.996) ( 0.00, 0.00, 0.01) 250: oop ( -6.016, 1.821, 0.042) ( -4.691, 1.564, 0.642) (22.03, 14.13, 2.51) 250: vdw ( 17.210, 4.832, -4.353) ( 17.210, 4.832, -4.353) ( 0.00, 0.00, 0.00) 250: electro ( -0.650, 0.102, -0.210) ( -0.650, 0.102, -0.210) ( 0.00, 0.00, 0.00) 250: 8 ( 42.185, -29.144, 98.083) ( 40.890, -28.721, 95.733) ( 3.07, 1.45, 2.40) 250: bond ( 0.216, 13.908, 14.316) ( 0.219, 13.913, 14.318) ( 0.06, 0.04, 0.01) 250: angle ( 11.911, -57.274, 71.476) ( 11.912, -57.273, 71.477) ( 0.01, 0.00, 0.00) 250: strbnd ( 12.084, 27.937, 5.019) ( 12.083, 27.936, 5.019) ( 0.00, 0.00, 0.00) 250: torsion ( 3.830, 0.035, -3.860) ( 3.830, 0.035, -3.861) ( 0.00, 0.00, 0.00) 250: oop ( 8.502, -2.885, 10.470) ( 7.204, -2.469, 8.117) (15.27, 14.44, 22.47) 250: vdw ( 7.198, -12.680, 2.190) ( 7.198, -12.679, 2.190) ( 0.00, 0.00, 0.00) 250: electro ( -1.556, 1.815, -1.528) ( -1.556, 1.815, -1.528) ( 0.00, 0.00, 0.00) 250: 9 ( 32.579, 54.117, -119.425) ( 31.952, 53.028, -118.703) ( 1.92, 2.01, 0.60) 250: bond ( 10.817, 9.746, -28.895) ( 10.820, 9.748, -28.889) ( 0.03, 0.02, 0.02) 250: angle ( 35.048, 51.699, -72.855) ( 35.049, 51.701, -72.854) ( 0.00, 0.00, 0.00) 250: strbnd ( 0.568, -4.532, -8.148) ( 0.567, -4.532, -8.148) ( 0.01, 0.00, 0.00) 250: torsion ( -4.728, -6.617, -17.279) ( -4.728, -6.618, -17.279) ( 0.00, 0.01, 0.00) 250: oop ( 1.204, 5.714, -4.530) ( 0.573, 4.622, -3.815) (52.37, 19.12, 15.77) 250: vdw (-10.056, -2.512, 13.221) (-10.056, -2.512, 13.222) ( 0.00, 0.01, 0.00) 250: electro ( -0.274, 0.620, -0.940) ( -0.274, 0.620, -0.940) ( 0.00, 0.00, 0.00) 250: 10 ( -2.422, -19.944, 132.061) ( -2.392, -20.229, 130.455) ( 1.24, 1.43, 1.22) 250: bond ( 18.269, 6.335, 0.967) ( 18.273, 6.339, 0.970) ( 0.02, 0.07, 0.23) 250: angle (-27.608, -36.500, 84.948) (-27.607, -36.499, 84.949) ( 0.01, 0.00, 0.00) 250: strbnd ( 12.909, 2.314, -3.833) ( 12.909, 2.313, -3.833) ( 0.00, 0.02, 0.00) 250: torsion ( 5.991, 6.815, 25.602) ( 5.992, 6.815, 25.602) ( 0.00, 0.00, 0.00) 250: oop ( 0.582, 4.956, 14.815) ( 0.605, 4.666, 13.205) ( 1.37, 5.85, 10.86) 250: vdw (-13.143, -3.558, 9.953) (-13.143, -3.558, 9.953) ( 0.00, 0.00, 0.00) 250: electro ( 0.579, -0.306, -0.390) ( 0.579, -0.306, -0.390) ( 0.00, 0.00, 0.00) 250: 11 ( 47.658, -22.934, -63.453) ( 37.369, -23.638, -54.855) (21.59, 3.07, 13.55) 250: bond (-11.073, 2.546, -4.952) (-11.069, 2.550, -4.949) ( 0.04, 0.18, 0.08) 250: angle ( 14.987, -10.150, -58.721) ( 14.989, -10.148, -58.720) ( 0.01, 0.02, 0.00) 250: strbnd ( 17.268, -10.877, 11.808) ( 17.267, -10.878, 11.807) ( 0.00, 0.01, 0.01) 250: torsion ( 6.129, 3.198, 15.790) ( 6.129, 3.198, 15.790) ( 0.00, 0.00, 0.00) 250: oop ( 18.909, -6.132, -23.821) ( 8.614, -6.841, -15.228) (54.44, 11.57, 36.07) 250: vdw ( 1.389, -2.494, -1.281) ( 1.389, -2.494, -1.281) ( 0.00, 0.00, 0.00) 250: electro ( 0.050, 0.975, -2.276) ( 0.050, 0.975, -2.276) ( 0.00, 0.00, 0.00) 250: 12 ( 31.693, -14.126, -65.659) ( 31.699, -14.121, -65.654) ( 0.02, 0.04, 0.01) 248: angle ( -9.647, 2.693, -9.181) ( -9.647, 2.694, -9.181) ( 0.00, 0.05, 0.00) 248: strbnd ( 2.977, 2.363, 3.838) ( 2.977, 2.363, 3.837) ( 0.00, 0.00, 0.00) 248: torsion ( 0.013, 0.016, -0.011) ( 0.013, 0.016, -0.011) ( 0.00, 0.00, 0.00) 248: oop ( -1.579, -0.309, 1.374) ( -1.388, -0.270, 1.208) (12.09, 1.23, 12.08) 248: vdw ( 1.642, -3.834, 1.605) ( 1.642, -3.834, 1.605) ( 0.00, 0.00, 0.00) 248: electro ( 4.057, -0.227, -0.032) ( 4.057, -0.227, -0.032) ( 0.00, 0.00, 0.00) 248: 24 ( 0.004, 0.003, -0.053) ( 0.005, 0.004, -0.052) ( 0.00, 0.00, 0.01) 248: bond ( -1.196, 1.182, -0.827) ( -1.194, 1.183, -0.827) ( 0.12, 0.11, 0.05) 248: angle ( -1.332, -1.852, -0.728) ( -1.331, -1.852, -0.727) ( 0.02, 0.02, 0.03) 248: strbnd ( 0.241, -1.027, 0.189) ( 0.241, -1.026, 0.189) ( 0.00, 0.00, 0.00) 248: torsion ( -0.038, 0.002, 0.057) ( -0.038, 0.002, 0.057) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.329, 1.697, 1.256) ( 2.329, 1.697, 1.256) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( -0.012, -0.040, -0.043) ( -0.010, -0.039, -0.041) ( 0.00, 0.01, 0.01) 248: bond ( -1.200, -1.265, 1.435) ( -1.199, -1.264, 1.436) ( 0.08, 0.08, 0.10) 248: angle ( -2.311, -0.524, -2.391) ( -2.311, -0.524, -2.391) ( 0.01, 0.02, 0.01) 248: strbnd ( -0.046, 0.131, -0.817) ( -0.046, 0.131, -0.817) ( 0.00, 0.00, 0.00) 248: torsion ( 0.070, -0.086, -0.017) ( 0.070, -0.086, -0.017) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 3.476, 1.704, 1.748) ( 3.476, 1.704, 1.748) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 ( 0.017, 0.031, -0.062) ( 0.018, 0.032, -0.060) ( 0.00, 0.00, 0.01) 248: bond ( 0.799, -1.340, -1.580) ( 0.799, -1.338, -1.578) ( 0.04, 0.09, 0.11) 248: angle ( -3.338, -0.613, -1.171) ( -3.337, -0.613, -1.171) ( 0.01, 0.02, 0.02) 248: strbnd ( -0.745, 0.134, 0.227) ( -0.745, 0.134, 0.227) ( 0.00, 0.00, 0.00) 248: torsion ( 0.007, -0.067, 0.060) ( 0.007, -0.067, 0.060) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 3.293, 1.916, 2.401) ( 3.293, 1.916, 2.401) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 27 ( -0.029, -0.013, -0.016) ( -0.027, -0.011, -0.015) ( 0.01, 0.00, 0.00) 248: bond ( -1.391, 1.340, -0.747) ( -1.389, 1.342, -0.747) ( 0.11, 0.11, 0.03) 248: angle ( -1.015, 0.530, 2.839) ( -1.015, 0.530, 2.840) ( 0.02, 0.01, 0.02) 248: strbnd ( 0.553, -0.368, 1.021) ( 0.553, -0.368, 1.021) ( 0.00, 0.00, 0.00) 248: torsion ( -0.250, -0.232, 0.047) ( -0.250, -0.232, 0.047) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.074, -1.282, -3.176) ( 2.074, -1.282, -3.176) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 28 ( -0.034, -0.055, -0.010) ( -0.032, -0.053, -0.008) ( 0.01, 0.01, 0.00) 248: bond ( 1.317, 0.998, 0.899) ( 1.318, 0.999, 0.900) ( 0.13, 0.10, 0.07) 248: angle ( -2.910, 1.945, 2.102) ( -2.910, 1.946, 2.102) ( 0.01, 0.02, 0.02) 248: strbnd ( -0.799, 0.069, 0.229) ( -0.799, 0.069, 0.229) ( 0.00, 0.00, 0.00) 248: torsion ( -0.012, 0.069, -0.059) ( -0.012, 0.069, -0.059) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.371, -3.136, -3.182) ( 2.371, -3.135, -3.182) ( 0.00, 0.00, 0.00) 252: vdw ( 1.983, 0.759, 0.074) ( 1.983, 0.759, 0.074) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 18 ( -0.972, -1.131, 0.537) ( -0.966, -1.126, 0.543) ( 0.57, 0.45, 0.31) 252: bond ( 8.970, -7.168, -3.472) ( 8.974, -7.164, -3.467) ( 0.05, 0.06, 0.13) 252: angle ( -7.660, 2.779, 4.648) ( -7.658, 2.781, 4.650) ( 0.02, 0.07, 0.04) 252: strbnd ( -0.534, -1.586, 1.106) ( -0.535, -1.587, 1.106) ( 0.03, 0.05, 0.04) 252: torsion ( -0.534, -0.161, -0.695) ( -0.534, -0.161, -0.695) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.214, 5.005, -1.050) ( -1.214, 5.005, -1.050) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 19 ( -0.892, -1.390, -0.413) ( -0.887, -1.384, -0.407) ( 0.44, 0.43, 0.23) 252: bond (-14.431, 0.239, -5.354) (-14.427, 0.243, -5.350) ( 0.03, 0.11, 0.08) 252: angle ( 5.190, -0.465, 6.381) ( 5.192, -0.463, 6.382) ( 0.04, 0.09, 0.03) 252: strbnd ( 2.347, -0.745, 1.442) ( 2.346, -0.746, 1.441) ( 0.04, 0.03, 0.03) 252: torsion ( 0.871, -0.786, -1.907) ( 0.871, -0.786, -1.907) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.131, 0.367, -0.974) ( 5.131, 0.367, -0.974) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 ( -1.255, 0.127, -0.110) ( -1.249, 0.133, -0.106) ( 0.48, 0.08, 0.05) 252: bond ( 4.252, -7.565, 15.329) ( 4.256, -7.560, 15.333) ( 0.11, 0.06, 0.03) 252: angle ( 1.408, 3.130, -7.552) ( 1.409, 3.132, -7.550) ( 0.13, 0.06, 0.03) 252: strbnd ( 0.392, 0.525, -4.232) ( 0.392, 0.524, -4.233) ( 0.02, 0.03, 0.02) 252: torsion ( -2.747, 1.008, 0.725) ( -2.747, 1.008, 0.725) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.560, 3.029, -4.380) ( -4.560, 3.029, -4.380) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 21 ( 0.264, 0.125, -0.017) ( 0.269, 0.129, -0.012) ( 0.13, 0.06, 0.01) 252: bond ( 20.008, -3.510, -2.218) ( 20.012, -3.507, -2.215) ( 0.02, 0.09, 0.15) 252: angle (-15.231, -7.030, 0.649) (-15.229, -7.028, 0.651) ( 0.01, 0.03, 0.15) 252: strbnd ( -8.351, 11.149, 4.002) ( -8.352, 11.148, 4.001) ( 0.01, 0.01, 0.02) 252: torsion ( 1.984, -2.010, -1.712) ( 1.984, -2.010, -1.712) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.854, 1.526, -0.737) ( 1.854, 1.526, -0.737) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 ( 0.427, 0.342, -0.042) ( 0.433, 0.348, -0.037) ( 0.25, 0.20, 0.02) 252: bond ( 4.959, -8.811, -19.046) ( 4.964, -8.806, -19.042) ( 0.09, 0.05, 0.02) 252: angle ( -3.781, 3.630, 13.839) ( -3.779, 3.632, 13.841) ( 0.05, 0.05, 0.01) 252: strbnd ( 1.990, -1.284, -2.382) ( 1.989, -1.285, -2.383) ( 0.02, 0.04, 0.04) 252: torsion ( -0.424, -0.578, 0.131) ( -0.424, -0.578, 0.131) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.317, 7.386, 7.417) ( -2.317, 7.386, 7.417) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( 0.262, 0.237, 0.013) ( 0.267, 0.243, 0.019) ( 0.12, 0.14, 0.01) 252: bond ( -9.101, -14.027, 14.486) ( -9.097, -14.023, 14.490) ( 0.04, 0.03, 0.03) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 29 ( -0.014, -0.055, -0.036) ( -0.012, -0.054, -0.034) ( 0.00, 0.01, 0.01) 248: bond ( -1.198, -1.403, 1.700) ( -1.197, -1.402, 1.701) ( 0.06, 0.08, 0.09) 248: angle ( -1.824, 2.897, 1.105) ( -1.823, 2.897, 1.105) ( 0.02, 0.01, 0.02) 248: strbnd ( 0.202, 1.021, -0.133) ( 0.202, 1.021, -0.133) ( 0.00, 0.00, 0.00) 248: torsion ( 0.274, -0.031, 0.167) ( 0.274, -0.031, 0.167) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.531, -2.539, -2.875) ( 2.532, -2.539, -2.875) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 30 ( -0.010, 0.057, 0.047) ( -0.010, 0.062, 0.047) ( 0.00, 0.03, 0.00) 248: bond ( -0.177, 0.738, -0.096) ( -0.177, 0.743, -0.096) ( 0.01, 0.36, 0.00) 248: angle ( 8.417, 3.317, 10.163) ( 8.417, 3.317, 10.163) ( 0.00, 0.00, 0.00) 248: strbnd ( 0.382, -1.272, 0.256) ( 0.382, -1.272, 0.256) ( 0.00, 0.00, 0.00) 248: torsion ( 0.882, 0.111, -0.766) ( 0.882, 0.111, -0.766) ( 0.01, 0.00, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.106, 0.075, 0.091) ( 0.106, 0.075, 0.091) ( 0.00, 0.00, 0.00) 248: electro ( -9.620, -2.911, -9.600) ( -9.620, -2.911, -9.600) ( 0.00, 0.00, 0.00) 248: 31 ( -0.560, 0.014, 0.551) ( -0.085, 0.116, 0.170) (26.59, 0.14, 20.99) 248: bond ( -0.691, -2.922, -1.578) ( -0.691, -2.915, -1.576) ( 0.03, 0.24, 0.13) 248: angle (-11.279, 8.740, -11.218) (-11.279, 8.740, -11.218) ( 0.00, 0.00, 0.00) 248: strbnd ( -0.400, 0.562, -0.346) ( -0.400, 0.562, -0.346) ( 0.00, 0.01, 0.00) 248: torsion ( -0.438, -0.113, 0.402) ( -0.438, -0.113, 0.402) ( 0.00, 0.00, 0.00) 248: oop ( -2.089, -0.433, 1.715) ( -1.615, -0.338, 1.332) (22.71, 4.11, 22.34) 248: vdw ( 1.193, -3.724, 0.966) ( 1.193, -3.724, 0.966) ( 0.00, 0.00, 0.00) 248: electro ( 13.145, -2.096, 10.610) ( 13.145, -2.096, 10.610) ( 0.00, 0.00, 0.00) 248: ok 32 # gradients 248: ok 33 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 250: bond ( 4.025, -3.189, -9.311) ( 4.029, -3.185, -9.307) ( 0.10, 0.12, 0.05) 250: angle ( 35.137, -10.001, -64.710) ( 35.139, -10.000, -64.708) ( 0.01, 0.02, 0.00) 250: strbnd ( -5.006, 4.101, 11.332) ( -5.006, 4.101, 11.331) ( 0.01, 0.01, 0.01) 250: torsion ( -2.865, -1.801, -0.962) ( -2.865, -1.801, -0.962) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.401, -3.237, -2.009) ( 0.401, -3.237, -2.009) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 (-44.560, -77.865, 136.018) (-23.829, -75.824, 121.163) (46.52, 2.62, 10.92) 250: bond ( -2.460, 4.359, -8.933) ( -2.456, 4.363, -8.924) ( 0.18, 0.08, 0.10) 250: angle ( 29.524, -109.944, 134.355) ( 29.525, -109.943, 134.355) ( 0.00, 0.00, 0.00) 250: strbnd (-14.951, 10.444, -24.236) (-14.952, 10.444, -24.237) ( 0.01, 0.01, 0.01) 250: torsion ( 1.176, -3.022, -8.395) ( 1.176, -3.022, -8.396) ( 0.06, 0.00, 0.01) 250: oop (-59.918, 23.973, 41.115) (-39.191, 26.010, 26.252) (34.59, 8.49, 36.15) 250: vdw ( 2.638, -3.488, 3.777) ( 2.638, -3.488, 3.777) ( 0.00, 0.00, 0.00) 250: electro ( -0.568, -0.188, -1.665) ( -0.568, -0.188, -1.665) ( 0.00, 0.00, 0.00) 250: 14 (-73.793, -5.351, -43.764) (-74.002, -4.993, -43.416) ( 0.28, 6.69, 0.79) 250: bond ( 2.608, 8.877, -3.192) ( 2.609, 8.883, -3.190) ( 0.05, 0.08, 0.06) 250: angle (-96.717, 12.033, -55.420) (-96.718, 12.033, -55.421) ( 0.00, 0.00, 0.00) 250: strbnd ( -4.852, -11.840, 5.276) ( -4.852, -11.840, 5.276) ( 0.00, 0.00, 0.00) 250: torsion ( 10.732, 0.866, 11.025) ( 10.727, 0.866, 11.022) ( 0.04, 0.00, 0.03) 250: oop ( 12.415, -11.706, -6.666) ( 12.210, -11.356, -6.316) ( 1.65, 3.00, 5.26) 250: vdw ( 1.533, -1.793, 3.152) ( 1.533, -1.793, 3.152) ( 0.00, 0.00, 0.00) 250: electro ( 0.489, -1.787, 2.061) ( 0.489, -1.787, 2.061) ( 0.00, 0.00, 0.00) 250: 15 ( 69.217, 103.058, -57.300) ( 59.276, 101.483, -50.491) (14.36, 1.53, 11.88) 250: bond ( 2.268, 0.918, 3.526) ( 2.270, 0.919, 3.532) ( 0.12, 0.04, 0.18) 250: angle ( 44.112, 114.284, -58.082) ( 44.112, 114.285, -58.082) ( 0.00, 0.00, 0.00) 250: strbnd ( 4.938, 2.167, 7.080) ( 4.938, 2.167, 7.080) ( 0.01, 0.01, 0.00) 250: torsion ( -3.970, 1.783, 2.088) ( -3.970, 1.783, 2.088) ( 0.00, 0.00, 0.00) 250: oop ( 25.969, -6.898, -14.899) ( 16.024, -8.474, -8.097) (38.29, 22.85, 45.66) 250: vdw ( 0.595, -0.501, 0.672) ( 0.595, -0.501, 0.672) ( 0.00, 0.00, 0.00) 250: electro ( -4.694, -8.696, 2.316) ( -4.694, -8.696, 2.316) ( 0.00, 0.00, 0.00) 250: 16 ( 10.862, 32.599, -5.193) ( 10.865, 32.600, -5.193) ( 0.03, 0.00, 0.01) 250: bond ( 12.564, -2.116, -0.282) ( 12.567, -2.116, -0.282) ( 0.02, 0.01, 0.00) 250: angle ( 5.837, 35.355, -5.146) ( 5.837, 35.356, -5.145) ( 0.00, 0.00, 0.01) 250: strbnd ( -6.059, 0.924, 0.108) ( -6.059, 0.924, 0.108) ( 0.00, 0.00, 0.00) 250: torsion ( 0.025, 0.048, 0.772) ( 0.025, 0.048, 0.772) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.506, -1.612, -0.646) ( -1.506, -1.612, -0.646) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 17 ( 23.103, 21.401, -13.776) ( 23.104, 21.402, -13.774) ( 0.00, 0.01, 0.01) 250: bond ( 0.013, 7.722, 8.189) ( 0.013, 7.723, 8.191) ( 0.00, 0.02, 0.02) 250: angle ( 23.319, 18.754, -17.721) ( 23.319, 18.754, -17.721) ( 0.00, 0.00, 0.00) 250: strbnd ( -0.112, -4.214, -4.433) ( -0.112, -4.214, -4.433) ( 0.00, 0.00, 0.00) 250: torsion ( 0.254, -0.191, 0.179) ( 0.254, -0.191, 0.179) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 294/333 Test #29: test_builder_2 ......................................................................................***Timeout 1500.03 sec Starting filterset.sdf 56 137 135 134 test 300 Start 300: fuzz_convert_clusterfuzz-testcase-fuzz_convert-5018276647469056 300: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-fuzz_convert-5018276647469056" 300: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 300: Environment variables: 300: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 300: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 300: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 300: Test timeout computed to be: 1500 300: HIER 300: Not a valid input format 295/333 Test #300: fuzz_convert_clusterfuzz-testcase-fuzz_convert-5018276647469056 ..................................... Passed 0.11 sec test 301 Start 301: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4708895940739072 301: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-4708895940739072" 301: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 301: Environment variables: 301: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 301: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 301: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 301: Test timeout computed to be: 1500 296/333 Test #301: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4708895940739072 ........................... Passed 0.11 sec test 302 Start 302: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4754939701428224 302: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-4754939701428224" 302: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 302: Environment variables: 302: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 302: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 302: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 302: Test timeout computed to be: 1500 297/333 Test #302: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4754939701428224 ........................... Passed 0.10 sec test 303 Start 303: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4776893862969344 303: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-4776893862969344" 303: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 303: Environment variables: 303: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 303: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 303: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 303: Test timeout computed to be: 1500 303: HIER 303: Not a valid input format 298/333 Test #303: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4776893862969344 ........................... Passed 0.14 sec test 304 Start 304: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4788413200138240 304: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-4788413200138240" 304: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 304: Environment variables: 304: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 304: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 304: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 304: Test timeout computed to be: 1500 299/333 Test #304: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4788413200138240 ........................... Passed 0.10 sec test 305 Start 305: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4954444931596288 305: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-4954444931596288" 305: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 305: Environment variables: 305: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 305: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 305: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 305: Test timeout computed to be: 1500 300/333 Test #305: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-4954444931596288 ........................... Passed 0.10 sec test 306 Start 306: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5138756882726912 306: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5138756882726912" 306: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 306: Environment variables: 306: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 306: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 306: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 306: Test timeout computed to be: 1500 301/333 Test #306: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5138756882726912 ........................... Passed 0.11 sec test 307 Start 307: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5287002621935616 307: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5287002621935616" 307: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 307: Environment variables: 307: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 307: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 307: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 307: Test timeout computed to be: 1500 302/333 Test #307: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5287002621935616 ........................... Passed 0.11 sec test 308 Start 308: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5382085853642752 308: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5382085853642752" 308: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 308: Environment variables: 308: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 308: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 308: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 308: Test timeout computed to be: 1500 308: HIER 308: Not a valid input format 303/333 Test #308: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5382085853642752 ........................... Passed 0.13 sec test 309 Start 309: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5403405765115904 309: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5403405765115904" 309: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 309: Environment variables: 309: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 309: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 309: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 309: Test timeout computed to be: 1500 304/333 Test #309: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5403405765115904 ........................... Passed 0.12 sec test 310 Start 310: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5601527114039296 310: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5601527114039296" 310: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 310: Environment variables: 310: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 310: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 310: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 310: Test timeout computed to be: 1500 310: HIER 310: Not a valid input format 305/333 Test #310: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5601527114039296 ........................... Passed 0.11 sec test 311 Start 311: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5833933431570432 311: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5833933431570432" 311: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 311: Environment variables: 311: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 311: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 311: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 311: Test timeout computed to be: 1500 306/333 Test #311: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5833933431570432 ........................... Passed 0.11 sec test 312 Start 312: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5916688842555392 312: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5916688842555392" 312: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 312: Environment variables: 312: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 312: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 312: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 312: Test timeout computed to be: 1500 307/333 Test #312: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5916688842555392 ........................... Passed 0.10 sec test 313 Start 313: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5975064647630848 313: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5975064647630848" 313: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 313: Environment variables: 313: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 313: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 313: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 313: Test timeout computed to be: 1500 308/333 Test #313: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5975064647630848 ........................... Passed 0.11 sec test 314 Start 314: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5978601085534208 314: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-5978601085534208" 314: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 314: Environment variables: 314: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 314: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 314: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 314: Test timeout computed to be: 1500 309/333 Test #314: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-5978601085534208 ........................... Passed 0.10 sec test 315 Start 315: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6088533239726080 315: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6088533239726080" 315: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 315: Environment variables: 315: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 315: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 315: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 315: Test timeout computed to be: 1500 315: HIER 315: Not a valid input format 310/333 Test #315: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6088533239726080 ........................... Passed 0.15 sec test 316 Start 316: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6165841390665728 316: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6165841390665728" 316: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 316: Environment variables: 316: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 316: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 316: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 316: Test timeout computed to be: 1500 316: HIER 316: Not a valid input format 311/333 Test #316: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6165841390665728 ........................... Passed 0.11 sec test 317 Start 317: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6283059409518592 317: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6283059409518592" 317: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 317: Environment variables: 317: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 317: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 317: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 317: Test timeout computed to be: 1500 312/333 Test #317: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6283059409518592 ........................... Passed 0.10 sec test 318 Start 318: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6395070696980480 318: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6395070696980480" 318: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 318: Environment variables: 318: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 318: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 318: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 318: Test timeout computed to be: 1500 313/333 Test #318: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6395070696980480 ........................... Passed 0.10 sec test 319 Start 319: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6501348052107264 319: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6501348052107264" 319: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 319: Environment variables: 319: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 319: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 319: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 319: Test timeout computed to be: 1500 314/333 Test #319: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6501348052107264 ........................... Passed 0.10 sec test 320 Start 320: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6560436544929792 320: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6560436544929792" 320: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 320: Environment variables: 320: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 320: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 320: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 320: Test timeout computed to be: 1500 320: Not a valid output format 315/333 Test #320: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6560436544929792 ........................... Passed 0.10 sec test 321 Start 321: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6619545227034624 321: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_convert "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_convert/clusterfuzz-testcase-minimized-fuzz_convert-6619545227034624" 321: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 321: Environment variables: 321: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 321: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 321: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 321: Test timeout computed to be: 1500 316/333 Test #321: fuzz_convert_clusterfuzz-testcase-minimized-fuzz_convert-6619545227034624 ........................... Passed 0.09 sec test 322 Start 322: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4554638784528384 322: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_sdf "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_sdf/clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4554638784528384" 322: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 322: Environment variables: 322: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 322: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 322: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 322: Test timeout computed to be: 1500 317/333 Test #322: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4554638784528384 ......... Passed 0.11 sec test 323 Start 323: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4568207441854464 323: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_sdf "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_sdf/clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4568207441854464" 323: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 323: Environment variables: 323: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 323: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 323: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 323: Test timeout computed to be: 1500 318/333 Test #323: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4568207441854464 ......... Passed 0.14 sec test 324 Start 324: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4904772219240448 324: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_sdf "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_sdf/clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4904772219240448" 324: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 324: Environment variables: 324: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 324: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 324: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 324: Test timeout computed to be: 1500 319/333 Test #324: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-4904772219240448 ......... Passed 0.11 sec test 325 Start 325: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-5908441551142912 325: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_sdf "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_sdf/clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-5908441551142912" 325: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 325: Environment variables: 325: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 325: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 325: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 325: Test timeout computed to be: 1500 320/333 Test #325: fuzz_obconversion_sdf_clusterfuzz-testcase-minimized-fuzz_obconversion_sdf-5908441551142912 ......... Passed 0.07 sec test 326 Start 326: fuzz_obconversion_smiles_clusterfuzz-testcase-minimized-fuzz_obconversion_smiles-4664580468178944 326: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_smiles "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_smiles/clusterfuzz-testcase-minimized-fuzz_obconversion_smiles-4664580468178944" 326: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 326: Environment variables: 326: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 326: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 326: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 326: Test timeout computed to be: 1500 321/333 Test #326: fuzz_obconversion_smiles_clusterfuzz-testcase-minimized-fuzz_obconversion_smiles-4664580468178944 ... Passed 0.13 sec test 327 Start 327: fuzz_obconversion_smiles_clusterfuzz-testcase-minimized-fuzz_obconversion_smiles-4836742741164032 327: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_smiles "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_smiles/clusterfuzz-testcase-minimized-fuzz_obconversion_smiles-4836742741164032" 327: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 327: Environment variables: 327: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 327: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 327: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 327: Test timeout computed to be: 1500 327: ============================== 327: *** Open Babel Warning in ParseSmiles 327: Failed to kekulize aromatic SMILES 327: 322/333 Test #327: fuzz_obconversion_smiles_clusterfuzz-testcase-minimized-fuzz_obconversion_smiles-4836742741164032 ... Passed 0.07 sec test 328 Start 328: fuzz_obconversion_smiles_hypervalent-oxygen-12F 328: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_smiles "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_smiles/hypervalent-oxygen-12F" 328: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 328: Environment variables: 328: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 328: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 328: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 328: Test timeout computed to be: 1500 323/333 Test #328: fuzz_obconversion_smiles_hypervalent-oxygen-12F ..................................................... Passed 0.03 sec test 329 Start 329: fuzz_obconversion_smiles_hypervalent-oxygen-13F 329: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_smiles "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_smiles/hypervalent-oxygen-13F" 329: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 329: Environment variables: 329: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 329: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 329: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 329: Test timeout computed to be: 1500 324/333 Test #329: fuzz_obconversion_smiles_hypervalent-oxygen-13F ..................................................... Passed 0.03 sec test 330 Start 330: fuzz_obconversion_smiles_hypervalent-perfluoro-chain 330: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_obconversion_smiles "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_obconversion_smiles/hypervalent-perfluoro-chain" 330: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 330: Environment variables: 330: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 330: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 330: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 330: Test timeout computed to be: 1500 325/333 Test #330: fuzz_obconversion_smiles_hypervalent-perfluoro-chain ................................................ Passed 0.03 sec test 331 Start 331: fuzz_smart_clusterfuzz-testcase-minimized-fuzz_smart-5954830941356032 331: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_smart "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_smart/clusterfuzz-testcase-minimized-fuzz_smart-5954830941356032" 331: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 331: Environment variables: 331: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 331: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 331: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 331: Test timeout computed to be: 1500 252: angle ( 10.251, 5.425, -14.704) ( 10.253, 5.427, -14.702) ( 0.02, 0.04, 0.01) 252: strbnd ( 4.541, -0.227, 0.888) ( 4.540, -0.227, 0.888) ( 0.02, 0.01, 0.06) 252: torsion ( -1.610, 3.720, 3.452) ( -1.610, 3.720, 3.452) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.819, 5.346, -4.109) ( -3.819, 5.346, -4.109) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( 0.357, 0.362, 0.364) ( 0.362, 0.367, 0.370) ( 0.18, 0.17, 0.22) 252: bond ( 21.264, -13.824, -2.826) ( 21.268, -13.820, -2.821) ( 0.02, 0.03, 0.16) 252: angle (-16.268, 12.918, 11.920) (-16.266, 12.920, 11.922) ( 0.01, 0.02, 0.01) 252: strbnd ( -2.042, -2.702, 2.306) ( -2.043, -2.703, 2.305) ( 0.04, 0.04, 0.01) 252: torsion ( 0.242, -0.309, -3.665) ( 0.242, -0.309, -3.665) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.840, 4.280, -7.371) ( -2.839, 4.280, -7.371) ( 0.01, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( 0.298, 0.643, 0.076) ( 0.302, 0.648, 0.081) ( 0.13, 0.32, 0.04) 252: bond (-17.007, -1.605, 19.177) (-17.004, -1.602, 19.181) ( 0.02, 0.21, 0.02) 252: angle ( 20.289, -11.578, -20.050) ( 20.291, -11.576, -20.048) ( 0.01, 0.02, 0.01) 252: strbnd ( 0.219, 4.268, -0.478) ( 0.218, 4.267, -0.478) ( 0.02, 0.02, 0.02) 252: torsion ( -1.834, 2.984, 4.550) ( -1.834, 2.984, 4.550) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.369, 6.574, -3.124) ( -1.369, 6.574, -3.124) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 ( 1.702, -0.982, 0.019) ( 1.706, -0.964, 0.099) ( 0.20, 1.69, 0.15) 252: bond ( 15.847, -1.098, -7.962) ( 15.850, -1.095, -7.959) ( 0.02, 0.29, 0.04) 252: angle (-11.285, -1.723, 11.202) (-11.283, -1.722, 11.203) ( 0.02, 0.12, 0.02) 252: strbnd ( -2.536, 2.403, 1.664) ( -2.537, 2.402, 1.663) ( 0.03, 0.03, 0.04) 252: torsion ( 1.195, -2.901, -3.945) ( 1.195, -2.901, -3.945) ( 0.00, 0.00, 0.01) 252: oop ( 0.005, -0.076, -0.452) ( 0.004, -0.063, -0.376) ( 0.00, 0.10, 3.40) 252: vdw ( -1.368, 2.242, -0.525) ( -1.367, 2.242, -0.525) ( 0.01, 0.00, 0.00) 252: electro ( -0.155, 0.173, 0.037) ( -0.155, 0.173, 0.037) ( 0.00, 0.00, 0.00) 252: 27 ( 0.236, 0.612, 0.037) ( 0.242, 0.618, 0.042) ( 0.14, 0.35, 0.02) 252: bond ( 5.055, -10.233, -17.302) ( 5.059, -10.229, -17.298) ( 0.09, 0.04, 0.02) 252: angle ( -3.183, 7.842, 10.800) ( -3.181, 7.843, 10.802) ( 0.06, 0.02, 0.02) 252: strbnd ( 1.203, 0.907, -0.607) ( 1.203, 0.907, -0.608) ( 0.04, 0.05, 0.06) 252: torsion ( -0.959, -0.405, -0.114) ( -0.959, -0.405, -0.114) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.881, 2.501, 7.260) ( -1.880, 2.501, 7.260) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 28 ( 2.639, -0.334, -0.722) ( 2.643, -0.333, -0.718) ( 0.16, 0.06, 0.35) 252: bond ( 7.820, 3.623, -3.208) ( 7.824, 3.624, -3.204) ( 0.05, 0.03, 0.12) 252: angle ( -2.167, 1.247, 4.426) ( -2.166, 1.247, 4.428) ( 0.01, 0.03, 0.03) 252: strbnd ( 0.310, 0.219, 0.140) ( 0.310, 0.219, 0.140) ( 0.00, 0.00, 0.01) 252: torsion ( 0.871, -2.454, -0.635) ( 0.871, -2.454, -0.635) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.614, -2.920, -1.379) ( -3.614, -2.920, -1.379) ( 0.00, 0.00, 0.00) 248: 1 ( -0.009, 0.002, -0.005) ( -0.001, 0.005, 0.001) ( 0.01, 0.00, 0.00) 248: bond ( 9.838, -1.834, 0.007) ( 9.844, -1.832, 0.011) ( 0.07, 0.10, 0.00) 248: angle ( 6.646, -1.255, -0.018) ( 6.648, -1.254, -0.017) ( 0.03, 0.05, 0.00) 248: strbnd ( -3.095, 0.579, 0.001) ( -3.095, 0.579, 0.001) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, 0.001, -0.002) ( 0.001, 0.002, -0.002) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.001, -0.001) ( 0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 248: vdw (-12.705, 2.379, 0.009) (-12.705, 2.379, 0.009) ( 0.00, 0.00, 0.00) 248: electro ( -0.694, 0.130, 0.001) ( -0.694, 0.130, 0.001) ( 0.00, 0.00, 0.00) 248: 2 ( -0.094, -0.071, -0.108) ( -0.084, -0.054, -0.110) ( 0.09, 0.12, 0.02) 248: bond ( 15.243, -7.110, -6.312) ( 15.248, -7.108, -6.308) ( 0.04, 0.03, 0.07) 248: angle ( -4.881, -0.262, -1.754) ( -4.879, -0.261, -1.753) ( 0.04, 0.02, 0.09) 248: strbnd ( -1.609, 1.725, 2.154) ( -1.609, 1.725, 2.154) ( 0.01, 0.00, 0.01) 248: torsion ( 0.015, 0.078, -0.054) ( 0.015, 0.079, -0.054) ( 0.00, 0.01, 0.00) 248: oop ( -0.015, -0.078, 0.052) ( -0.012, -0.066, 0.044) ( 0.00, 0.10, 0.04) 248: vdw ( -8.822, 6.095, 6.582) ( -8.822, 6.095, 6.582) ( 0.00, 0.00, 0.00) 248: electro ( -0.025, -0.518, -0.776) ( -0.025, -0.518, -0.776) ( 0.00, 0.00, 0.00) 248: 3 ( 0.182, -0.012, -0.057) ( 0.183, -0.039, -0.032) ( 0.02, 0.03, 0.15) 248: bond ( 0.609, -8.879, -13.408) ( 0.614, -8.877, -13.405) ( 0.30, 0.02, 0.03) 248: angle ( -7.772, 3.135, 2.969) ( -7.770, 3.136, 2.970) ( 0.02, 0.03, 0.05) 248: strbnd ( 2.453, -0.620, -0.234) ( 2.453, -0.620, -0.235) ( 0.01, 0.01, 0.01) 248: torsion ( -0.243, 0.162, 0.098) ( -0.243, 0.163, 0.098) ( 0.00, 0.01, 0.00) 248: oop ( 0.034, 0.181, -0.121) ( 0.028, 0.151, -0.101) ( 0.02, 0.55, 0.25) 248: vdw ( 4.751, 6.373, 11.116) ( 4.751, 6.373, 11.116) ( 0.00, 0.00, 0.00) 248: electro ( 0.350, -0.364, -0.476) ( 0.350, -0.364, -0.476) ( 0.00, 0.00, 0.00) 248: 4 ( -0.195, 0.032, 0.015) ( -0.188, 0.037, 0.020) ( 0.13, 0.02, 0.01) 248: bond ( -7.919, 1.496, 0.029) ( -7.915, 1.498, 0.032) ( 0.06, 0.11, 0.01) 248: angle ( 7.321, -1.377, -0.013) ( 7.323, -1.376, -0.012) ( 0.03, 0.07, 0.00) 248: strbnd ( -7.154, 1.339, 0.000) ( -7.155, 1.339, 0.000) ( 0.00, 0.00, 0.00) 248: torsion ( -0.002, -0.005, 0.001) ( -0.002, -0.004, 0.002) ( 0.00, 0.00, 0.00) 248: oop ( -0.001, -0.007, 0.004) ( -0.001, -0.005, 0.003) ( 0.00, 0.00, 0.00) 248: vdw ( 7.561, -1.415, -0.006) ( 7.562, -1.415, -0.006) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 5 ( 0.098, -0.057, -0.028) ( 0.109, -0.026, -0.041) ( 0.11, 0.18, 0.04) 248: bond ( 3.740, 8.034, 13.340) ( 3.745, 8.036, 13.343) ( 0.13, 0.02, 0.03) 248: angle ( -8.410, -0.116, -2.962) ( -8.408, -0.115, -2.960) ( 0.02, 0.01, 0.05) 248: strbnd ( 2.516, -0.308, 0.233) ( 2.515, -0.309, 0.233) ( 0.01, 0.00, 0.01) 248: torsion ( -0.284, -0.056, -0.104) ( -0.284, -0.055, -0.103) ( 0.00, 0.00, 0.00) 248: oop ( -0.031, -0.165, 0.109) ( -0.025, -0.137, 0.091) ( 0.02, 0.46, 0.20) 248: vdw ( 2.108, -7.659, -11.120) ( 2.108, -7.659, -11.120) ( 0.00, 0.00, 0.00) 248: electro ( 0.459, 0.213, 0.476) ( 0.459, 0.213, 0.476) ( 0.00, 0.00, 0.00) 248: 6 ( -0.017, 0.039, 0.055) ( -0.012, 0.031, 0.069) ( 0.01, 0.03, 0.08) 248: bond ( 16.822, 1.066, 6.232) ( 16.827, 1.068, 6.236) ( 0.03, 0.19, 0.07) 248: angle ( -4.438, 2.007, 1.762) ( -4.436, 2.007, 1.763) ( 0.05, 0.03, 0.09) 248: strbnd ( -2.127, -1.024, -2.150) ( -2.127, -1.024, -2.150) ( 0.01, 0.00, 0.01) 326/333 Test #331: fuzz_smart_clusterfuzz-testcase-minimized-fuzz_smart-5954830941356032 ............................... Passed 4.99 sec test 332 Start 332: fuzz_smart_clusterfuzz-testcase-minimized-fuzz_smart-6678209650556928 332: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_smart "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_smart/clusterfuzz-testcase-minimized-fuzz_smart-6678209650556928" 332: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 332: Environment variables: 332: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 332: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 332: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 332: Test timeout computed to be: 1500 327/333 Test #332: fuzz_smart_clusterfuzz-testcase-minimized-fuzz_smart-6678209650556928 ............................... Passed 0.10 sec test 333 Start 333: fuzz_empty_write_seed 333: Test command: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/bin/fuzz_empty_write "/build/reproducible-path/openbabel-3.2.0+dfsg/test/fuzz/corpus/fuzz_empty_write/seed" 333: Working Directory: /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/test 333: Environment variables: 333: BABEL_DATADIR=/build/reproducible-path/openbabel-3.2.0+dfsg/data 333: BABEL_LIBDIR=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu/ 333: LD_LIBRARY_PATH=/build/reproducible-path/openbabel-3.2.0+dfsg/builddir/lib/i386-linux-gnu: 333: Test timeout computed to be: 1500 333: Need to specify a reference file 333: Not a valid output formatNot a valid output formatNot a valid output formatNot a valid output format 328/333 Test #333: fuzz_empty_write_seed ............................................................................... Passed 0.16 sec 250: vdw ( -0.370, -0.670, 0.010) ( -0.370, -0.670, 0.010) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 18 ( 33.905, 23.432, 15.855) ( 33.905, 23.433, 15.857) ( 0.00, 0.01, 0.01) 250: bond ( 0.412, 8.070, -8.784) ( 0.412, 8.072, -8.782) ( 0.00, 0.02, 0.02) 250: angle ( 35.086, 20.894, 20.850) ( 35.086, 20.894, 20.850) ( 0.00, 0.00, 0.00) 250: strbnd ( -0.271, -3.980, 4.289) ( -0.271, -3.980, 4.289) ( 0.00, 0.00, 0.00) 250: torsion ( 0.050, -0.044, -0.038) ( 0.050, -0.044, -0.038) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.372, -1.509, -0.461) ( -1.372, -1.509, -0.461) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 19 ( 7.842, 13.549, 15.910) ( 7.843, 13.550, 15.912) ( 0.01, 0.01, 0.01) 250: bond ( 4.298, -5.557, 10.878) ( 4.298, -5.556, 10.880) ( 0.01, 0.01, 0.02) 250: angle ( 5.140, 17.037, 6.669) ( 5.140, 17.038, 6.669) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.222, 0.518, -1.052) ( -0.222, 0.518, -1.052) ( 0.00, 0.00, 0.00) 250: torsion ( 0.333, -0.021, -0.143) ( 0.333, -0.021, -0.143) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.708, 1.572, -0.443) ( -1.707, 1.572, -0.443) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( 24.224, 9.746, 3.735) ( 24.225, 9.747, 3.737) ( 0.00, 0.01, 0.06) 250: bond ( 0.205, 8.145, 12.537) ( 0.205, 8.145, 12.539) ( 0.00, 0.01, 0.02) 250: angle ( 25.409, 2.588, -2.097) ( 25.410, 2.588, -2.096) ( 0.00, 0.01, 0.01) 250: strbnd ( -0.027, -1.112, -1.794) ( -0.027, -1.112, -1.794) ( 0.00, 0.00, 0.00) 250: torsion ( -0.559, -0.957, 0.631) ( -0.559, -0.957, 0.631) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.804, 1.083, -5.542) ( -0.804, 1.083, -5.542) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 21 (-14.013, -5.680, -13.049) (-14.012, -5.678, -13.048) ( 0.01, 0.05, 0.00) 250: bond ( -4.768, -11.721, 2.019) ( -4.767, -11.719, 2.019) ( 0.01, 0.02, 0.01) 250: angle ( -9.742, 1.595, -13.739) ( -9.741, 1.596, -13.738) ( 0.01, 0.01, 0.00) 250: strbnd ( 0.618, 1.701, -0.398) ( 0.618, 1.701, -0.398) ( 0.00, 0.00, 0.00) 250: torsion ( 0.143, 0.073, 0.763) ( 0.143, 0.073, 0.763) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.264, 2.671, -1.694) ( -0.263, 2.671, -1.694) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 22 (-11.466, -17.731, -34.136) (-11.464, -17.730, -34.135) ( 0.02, 0.00, 0.00) 250: bond ( 10.515, -3.031, -3.787) ( 10.517, -3.031, -3.787) ( 0.02, 0.01, 0.01) 250: angle (-17.099, -17.314, -33.631) (-17.099, -17.314, -33.630) ( 0.00, 0.00, 0.00) 250: strbnd ( -4.687, 1.352, 1.833) ( -4.687, 1.352, 1.833) ( 0.00, 0.00, 0.00) 250: torsion ( -0.036, -0.401, 0.221) ( -0.036, -0.401, 0.221) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.159, 1.663, 1.228) ( -0.159, 1.663, 1.228) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( 9.654, -14.702, -18.379) ( 9.655, -14.701, -18.377) ( 0.01, 0.01, 0.01) 250: bond ( -3.691, 5.903, -11.062) ( -3.691, 5.904, -11.060) ( 0.01, 0.01, 0.02) 252: electro ( -0.581, -0.048, -0.068) ( -0.581, -0.048, -0.068) ( 0.00, 0.00, 0.00) 252: 29 ( 0.408, 0.492, 0.031) ( 0.409, 0.493, 0.034) ( 0.03, 0.06, 0.01) 252: bond ( -1.093, 2.730, 5.745) ( -1.093, 2.731, 5.748) ( 0.01, 0.02, 0.04) 252: angle ( -0.447, -1.804, 0.772) ( -0.446, -1.803, 0.772) ( 0.03, 0.03, 0.01) 252: strbnd ( -0.651, -1.825, -2.101) ( -0.651, -1.825, -2.101) ( 0.00, 0.00, 0.00) 252: torsion ( 1.322, -0.173, 0.334) ( 1.322, -0.173, 0.334) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.277, 1.563, -4.719) ( 1.277, 1.563, -4.719) ( 0.01, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( 0.503, 0.033, 0.106) ( 0.504, 0.034, 0.109) ( 0.04, 0.00, 0.03) 252: bond ( 0.388, -0.566, -1.877) ( 0.388, -0.566, -1.874) ( 0.01, 0.02, 0.16) 252: angle ( -1.222, 1.435, -0.686) ( -1.222, 1.436, -0.686) ( 0.05, 0.04, 0.00) 252: strbnd ( -0.562, 0.515, 1.009) ( -0.562, 0.515, 1.009) ( 0.00, 0.00, 0.00) 252: torsion ( -1.037, 0.246, -0.289) ( -1.037, 0.246, -0.289) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.936, -1.598, 1.950) ( 2.936, -1.598, 1.950) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 31 ( 0.438, 0.182, 0.134) ( 0.439, 0.183, 0.137) ( 0.04, 0.02, 0.04) 252: bond ( -1.114, 1.979, 6.032) ( -1.114, 1.980, 6.035) ( 0.01, 0.02, 0.05) 252: angle ( -0.690, 1.900, -0.751) ( -0.689, 1.901, -0.751) ( 0.04, 0.03, 0.01) 252: strbnd ( 0.022, -0.078, -2.039) ( 0.022, -0.078, -2.039) ( 0.00, 0.00, 0.00) 252: torsion ( 0.783, 1.067, -0.206) ( 0.783, 1.067, -0.206) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.437, -4.688, -2.903) ( 1.437, -4.687, -2.903) ( 0.01, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 32 ( 1.763, 0.235, -0.010) ( 1.764, 0.236, -0.007) ( 0.05, 0.03, 0.00) 252: bond ( -0.495, 1.091, 2.241) ( -0.495, 1.092, 2.244) ( 0.01, 0.06, 0.12) 252: angle ( -0.145, 0.135, -0.098) ( -0.144, 0.135, -0.098) ( 0.01, 0.01, 0.00) 252: strbnd ( -0.003, -0.325, -0.202) ( -0.003, -0.325, -0.202) ( 0.00, 0.00, 0.00) 252: torsion ( 1.861, 0.535, 0.150) ( 1.861, 0.535, 0.150) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.545, -1.202, -2.101) ( 0.545, -1.202, -2.101) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 33 ( 0.648, 0.036, -0.155) ( 0.650, 0.037, -0.153) ( 0.11, 0.00, 0.03) 252: bond ( 2.130, -0.511, 2.443) ( 2.132, -0.511, 2.445) ( 0.07, 0.00, 0.08) 252: angle ( 2.580, -0.905, -2.439) ( 2.580, -0.904, -2.439) ( 0.01, 0.05, 0.01) 252: strbnd ( -0.613, 0.221, -1.607) ( -0.613, 0.221, -1.607) ( 0.00, 0.00, 0.00) 252: torsion ( -2.226, 0.124, 1.967) ( -2.226, 0.125, 1.967) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.223, 1.107, -0.518) ( -1.223, 1.107, -0.518) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 34 ( 0.623, -0.025, -0.099) ( 0.624, -0.024, -0.096) ( 0.07, 0.00, 0.02) 252: bond ( 1.205, -1.083, -2.206) ( 1.205, -1.082, -2.204) ( 0.05, 0.05, 0.10) 252: angle ( 4.429, -0.679, 2.755) ( 4.430, -0.679, 2.755) ( 0.01, 0.03, 0.01) 252: strbnd ( -0.025, 0.560, 1.229) ( -0.025, 0.560, 1.229) ( 0.00, 0.00, 0.00) 248: torsion ( -0.016, -0.084, 0.056) ( -0.016, -0.083, 0.056) ( 0.00, 0.01, 0.00) 248: oop ( 0.013, 0.071, -0.048) ( 0.011, 0.060, -0.040) ( 0.00, 0.08, 0.04) 248: vdw (-10.436, -2.488, -6.572) (-10.436, -2.488, -6.572) ( 0.00, 0.00, 0.00) 248: electro ( 0.165, 0.492, 0.776) ( 0.165, 0.492, 0.776) ( 0.00, 0.00, 0.00) 248: 7 ( 0.083, 0.029, -0.027) ( 0.090, 0.034, -0.024) ( 0.06, 0.02, 0.01) 248: bond ( -5.715, 1.120, -0.030) ( -5.710, 1.124, -0.028) ( 0.08, 0.35, 0.00) 248: angle ( -3.925, 0.733, 0.006) ( -3.923, 0.734, 0.007) ( 0.05, 0.10, 0.00) 248: strbnd ( 10.212, -1.917, -0.002) ( 10.212, -1.917, -0.002) ( 0.00, 0.01, 0.00) 248: torsion ( -0.000, -0.001, 0.000) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.489, 0.094, -0.002) ( -0.488, 0.094, -0.002) ( 0.01, 0.00, 0.00) 248: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 8 ( -0.096, 0.024, -0.020) ( -0.089, 0.030, -0.017) ( 0.07, 0.01, 0.01) 248: bond ( -3.483, -12.638, 7.907) ( -3.478, -12.633, 7.908) ( 0.16, 0.03, 0.02) 248: angle ( 3.798, 0.832, -0.921) ( 3.800, 0.834, -0.921) ( 0.04, 0.11, 0.04) 248: strbnd ( 1.060, -1.300, 0.656) ( 1.060, -1.300, 0.656) ( 0.02, 0.01, 0.00) 248: torsion ( 0.019, 0.099, 0.166) ( 0.019, 0.099, 0.167) ( 0.00, 0.00, 0.02) 248: oop ( -0.000, -0.001, -0.002) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( -1.505, 14.542, -8.739) ( -1.505, 14.542, -8.739) ( 0.01, 0.00, 0.00) 248: electro ( 0.016, -1.510, 0.914) ( 0.016, -1.510, 0.914) ( 0.00, 0.00, 0.00) 248: 9 ( -0.010, -0.087, 0.031) ( -0.003, -0.081, 0.034) ( 0.01, 0.05, 0.01) 248: bond ( -2.492, -7.482, 4.725) ( -2.486, -7.478, 4.727) ( 0.23, 0.05, 0.03) 248: angle ( -4.105, -3.933, 2.798) ( -4.103, -3.931, 2.798) ( 0.04, 0.03, 0.02) 248: strbnd ( -4.222, 0.031, 0.453) ( -4.222, 0.031, 0.453) ( 0.01, 0.00, 0.00) 248: torsion ( -0.000, -0.003, -0.005) ( -0.000, -0.003, -0.004) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 10.835, 10.954, -7.728) ( 10.835, 10.954, -7.728) ( 0.00, 0.00, 0.00) 248: electro ( -0.025, 0.347, -0.209) ( -0.025, 0.347, -0.209) ( 0.00, 0.00, 0.00) 248: 10 ( -0.018, -0.003, 0.005) ( -0.014, 0.002, 0.008) ( 0.01, 0.00, 0.00) 248: bond (-13.181, 2.472, 0.003) (-13.178, 2.476, 0.004) ( 0.02, 0.16, 0.00) 248: angle ( 8.282, -1.555, -0.003) ( 8.284, -1.555, -0.003) ( 0.02, 0.02, 0.00) 248: strbnd ( 0.147, -0.037, 0.005) ( 0.147, -0.037, 0.006) ( 0.00, 0.00, 0.00) 248: torsion ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 8.264, -1.546, -0.006) ( 8.265, -1.546, -0.006) ( 0.00, 0.00, 0.00) 248: electro ( -3.532, 0.661, 0.003) ( -3.532, 0.661, 0.003) ( 0.00, 0.00, 0.00) 248: 11 ( -0.084, 0.070, -0.048) ( -0.077, 0.076, -0.045) ( 0.06, 0.04, 0.02) 248: bond ( 0.276, 7.851, -4.706) ( 0.282, 7.855, -4.705) ( 0.16, 0.05, 0.03) 248: angle ( -2.425, 5.161, -2.800) ( -2.424, 5.163, -2.800) ( 0.07, 0.03, 0.02) 248: strbnd ( -3.937, 1.510, -0.456) ( -3.938, 1.510, -0.456) ( 0.01, 0.01, 0.00) 248: torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.006) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) 248: vdw ( 6.153, -14.132, 7.716) ( 6.153, -14.132, 7.716) ( 0.00, 0.00, 0.00) 248: electro ( -0.149, -0.315, 0.209) ( -0.149, -0.315, 0.209) ( 0.00, 0.00, 0.00) 248: 12 ( 0.047, -0.083, 0.059) ( 0.054, -0.077, 0.061) ( 0.03, 0.04, 0.02) 250: angle ( 12.954, -19.869, -14.929) ( 12.955, -19.869, -14.929) ( 0.00, 0.00, 0.00) 250: strbnd ( 1.489, -2.332, 4.677) ( 1.489, -2.332, 4.677) ( 0.00, 0.00, 0.00) 250: torsion ( -0.247, -0.126, 0.015) ( -0.247, -0.126, 0.015) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.851, 1.721, 2.920) ( -0.851, 1.721, 2.920) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( 14.540, -7.004, -26.289) ( 14.541, -7.001, -26.288) ( 0.01, 0.04, 0.00) 250: bond ( -4.182, -9.280, -1.526) ( -4.182, -9.277, -1.526) ( 0.01, 0.03, 0.01) 250: angle ( 17.244, -3.364, -26.810) ( 17.244, -3.364, -26.810) ( 0.00, 0.00, 0.00) 250: strbnd ( 2.112, 4.668, 0.929) ( 2.112, 4.668, 0.929) ( 0.00, 0.00, 0.00) 250: torsion ( 0.199, -0.107, 0.107) ( 0.199, -0.107, 0.107) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.832, 1.079, 1.011) ( -0.832, 1.079, 1.011) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( -2.146, 11.421, -4.557) ( -2.080, 11.484, -4.381) ( 3.09, 0.55, 3.87) 250: bond ( -0.517, -0.905, 0.501) ( -0.517, -0.903, 0.502) ( 0.04, 0.21, 0.04) 250: angle ( -5.394, 1.536, -2.786) ( -5.394, 1.537, -2.786) ( 0.01, 0.01, 0.00) 250: strbnd ( 4.247, 7.387, -3.525) ( 4.247, 7.387, -3.525) ( 0.00, 0.00, 0.00) 250: torsion ( -1.245, 2.897, 3.928) ( -1.245, 2.897, 3.928) ( 0.00, 0.00, 0.00) 250: oop ( -0.602, -0.657, -1.800) ( -0.537, -0.596, -1.625) ( 3.91, 3.97, 9.75) 250: vdw ( 1.342, 0.777, -0.631) ( 1.342, 0.777, -0.631) ( 0.00, 0.00, 0.00) 250: electro ( 0.023, 0.386, -0.243) ( 0.023, 0.386, -0.243) ( 0.00, 0.00, 0.00) 250: 26 ( 8.264, -9.314, -14.985) ( 7.913, -9.070, -14.378) ( 4.25, 2.62, 4.05) 250: bond ( 0.510, 0.130, 0.247) ( 0.513, 0.130, 0.248) ( 0.15, 0.00, 0.02) 250: angle ( -0.687, -4.473, 3.772) ( -0.687, -4.472, 3.772) ( 0.00, 0.01, 0.00) 250: strbnd ( -3.764, -0.803, -0.766) ( -3.764, -0.803, -0.766) ( 0.00, 0.00, 0.01) 250: torsion ( 8.777, -3.424, -16.387) ( 8.777, -3.424, -16.387) ( 0.00, 0.00, 0.00) 250: oop ( 1.606, -0.922, -2.844) ( 1.252, -0.679, -2.237) (22.07, 22.40, 21.34) 250: vdw ( 1.106, -0.058, 0.139) ( 1.106, -0.058, 0.139) ( 0.00, 0.00, 0.00) 250: electro ( 0.715, 0.236, 0.855) ( 0.715, 0.236, 0.855) ( 0.00, 0.00, 0.00) 250: 27 ( -9.529, -0.985, 0.936) ( -8.994, -0.277, 0.839) ( 5.61, 69.82, 9.15) 250: bond ( -0.257, 0.039, -1.081) ( -0.257, 0.039, -1.078) ( 0.01, 0.00, 0.33) 250: angle ( -2.751, 5.638, 0.859) ( -2.751, 5.638, 0.859) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.092, 0.684, -4.568) ( -0.092, 0.685, -4.568) ( 0.00, 0.00, 0.00) 250: torsion ( -4.710, -4.641, 0.953) ( -4.710, -4.641, 0.953) ( 0.00, 0.00, 0.00) 250: oop ( -2.117, -3.288, 0.385) ( -1.584, -2.580, 0.284) (25.20, 21.55, 3.90) 250: vdw ( -0.554, 0.339, 2.803) ( -0.554, 0.339, 2.803) ( 0.00, 0.00, 0.00) 250: electro ( 0.953, 0.243, 1.585) ( 0.953, 0.243, 1.585) ( 0.00, 0.00, 0.00) 250: 28 (-35.688, 35.118, -12.756) (-35.489, 35.165, -12.454) ( 0.56, 0.13, 2.37) 250: bond ( -0.608, -0.110, 0.410) ( -0.606, -0.110, 0.411) ( 0.16, 0.00, 0.05) 250: angle (-20.084, 33.989, -20.477) (-20.083, 33.989, -20.477) ( 0.00, 0.00, 0.00) 250: strbnd (-11.144, -1.712, 8.116) (-11.144, -1.712, 8.116) ( 0.00, 0.00, 0.00) 250: torsion ( -1.403, 5.730, -0.531) ( -1.403, 5.730, -0.531) ( 0.00, 0.00, 0.00) 250: oop ( -1.298, -1.456, -2.303) ( -1.102, -1.410, -2.002) (15.09, 3.14, 13.07) 250: vdw ( -0.679, -1.424, 2.000) ( -0.679, -1.424, 2.000) ( 0.00, 0.00, 0.00) 252: torsion ( -1.189, -0.747, -0.284) ( -1.189, -0.747, -0.284) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.797, 1.923, -1.593) ( -3.797, 1.923, -1.593) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 35 ( 0.727, 0.236, 0.113) ( 0.728, 0.237, 0.115) ( 0.07, 0.02, 0.03) 252: bond ( -1.135, 1.111, 3.160) ( -1.134, 1.111, 3.163) ( 0.03, 0.03, 0.08) 252: angle ( 2.191, 0.137, 0.737) ( 2.191, 0.138, 0.737) ( 0.03, 0.01, 0.01) 252: strbnd ( 1.028, -1.182, -0.643) ( 1.028, -1.182, -0.643) ( 0.00, 0.00, 0.00) 252: torsion ( 0.059, -1.190, 0.439) ( 0.059, -1.190, 0.439) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.416, 1.359, -3.581) ( -1.416, 1.359, -3.581) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 36 ( 0.488, 0.270, -0.116) ( 0.489, 0.274, -0.116) ( 0.04, 0.09, 0.01) 252: bond ( 0.456, -2.299, 0.220) ( 0.456, -2.296, 0.220) ( 0.01, 0.14, 0.00) 252: angle ( 2.467, 0.624, 1.393) ( 2.468, 0.624, 1.393) ( 0.02, 0.00, 0.04) 252: strbnd ( 0.024, 1.326, 0.945) ( 0.024, 1.326, 0.945) ( 0.00, 0.00, 0.00) 252: torsion ( 0.177, -0.003, -0.400) ( 0.177, -0.003, -0.399) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.636, 0.622, -2.274) ( -2.636, 0.622, -2.274) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 37 ( 0.151, 1.287, 0.431) ( 0.152, 1.288, 0.434) ( 0.02, 0.05, 0.13) 252: bond ( 1.073, -0.388, -2.975) ( 1.074, -0.388, -2.972) ( 0.04, 0.00, 0.10) 252: angle ( -0.794, 2.840, -0.658) ( -0.793, 2.841, -0.658) ( 0.04, 0.02, 0.00) 252: strbnd ( -0.284, 0.981, 1.653) ( -0.284, 0.981, 1.653) ( 0.00, 0.00, 0.00) 252: torsion ( -1.057, -0.640, -0.298) ( -1.057, -0.640, -0.298) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.212, -1.506, 2.709) ( 1.212, -1.506, 2.709) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 38 ( 0.339, 0.476, 1.257) ( 0.340, 0.479, 1.258) ( 0.03, 0.15, 0.04) 252: bond ( -0.805, 4.071, 0.318) ( -0.805, 4.074, 0.318) ( 0.01, 0.08, 0.00) 252: angle ( 5.353, 1.181, -1.582) ( 5.354, 1.181, -1.581) ( 0.01, 0.00, 0.03) 252: strbnd ( 0.930, -1.391, -0.658) ( 0.930, -1.391, -0.658) ( 0.00, 0.00, 0.00) 252: torsion ( -1.899, -0.571, 2.506) ( -1.899, -0.571, 2.506) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.240, -2.814, 0.673) ( -3.240, -2.814, 0.673) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 39 ( -0.459, 2.457, -0.480) ( -0.460, 2.464, -0.456) ( 0.02, 0.30, 1.11) 252: bond ( -0.322, 6.022, -1.065) ( -0.322, 6.026, -1.065) ( 0.00, 0.06, 0.01) 252: angle ( -3.546, -0.243, -0.303) ( -3.546, -0.243, -0.303) ( 0.02, 0.00, 0.00) 252: strbnd ( 0.529, -2.091, 0.417) ( 0.529, -2.091, 0.417) ( 0.00, 0.00, 0.00) 252: torsion ( 0.017, 0.060, 0.336) ( 0.017, 0.060, 0.337) ( 0.00, 0.00, 0.01) 252: oop ( 0.010, -0.029, -0.170) ( 0.009, -0.026, -0.147) ( 0.00, 0.01, 0.39) 252: vdw ( 2.635, -1.088, 0.220) ( 2.635, -1.088, 0.220) ( 0.00, 0.00, 0.00) 252: electro ( 0.219, -0.174, 0.085) ( 0.219, -0.174, 0.085) ( 0.00, 0.00, 0.00) 248: bond ( 1.440, 12.965, -7.881) ( 1.446, 12.969, -7.880) ( 0.38, 0.03, 0.02) 248: angle ( 3.262, -2.172, 0.925) ( 3.264, -2.171, 0.925) ( 0.05, 0.06, 0.04) 248: strbnd ( 1.447, 0.834, -0.660) ( 1.447, 0.834, -0.660) ( 0.01, 0.01, 0.00) 248: torsion ( -0.018, -0.096, -0.161) ( -0.018, -0.095, -0.160) ( 0.00, 0.00, 0.01) 248: oop ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 248: vdw ( -6.645, -13.018, 8.747) ( -6.645, -13.018, 8.747) ( 0.00, 0.00, 0.00) 248: electro ( 0.560, 1.403, -0.914) ( 0.560, 1.402, -0.914) ( 0.00, 0.00, 0.00) 248: 13 ( 0.014, 0.029, -0.012) ( 0.016, 0.031, -0.010) ( 0.00, 0.01, 0.00) 248: bond ( 0.532, 0.585, -0.410) ( 0.533, 0.587, -0.409) ( 0.07, 0.10, 0.03) 248: angle ( -1.375, 0.959, -0.417) ( -1.375, 0.959, -0.417) ( 0.03, 0.02, 0.00) 248: strbnd ( -0.291, 0.302, -0.147) ( -0.291, 0.302, -0.147) ( 0.00, 0.00, 0.00) 248: torsion ( -0.002, -0.013, -0.021) ( -0.002, -0.012, -0.021) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.001, -0.001) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 0.782, -2.146, 1.210) ( 0.782, -2.146, 1.210) ( 0.00, 0.00, 0.00) 248: electro ( 0.369, 0.342, -0.225) ( 0.369, 0.342, -0.225) ( 0.00, 0.00, 0.00) 248: 14 ( 0.014, -0.025, 0.027) ( 0.015, -0.022, 0.028) ( 0.00, 0.01, 0.00) 248: bond ( -0.713, 1.410, -0.761) ( -0.713, 1.412, -0.760) ( 0.04, 0.17, 0.05) 248: angle ( -1.054, -0.355, 0.329) ( -1.053, -0.355, 0.329) ( 0.06, 0.00, 0.00) 248: strbnd ( 0.385, 0.200, -0.162) ( 0.385, 0.200, -0.162) ( 0.00, 0.00, 0.00) 248: torsion ( 0.001, 0.005, 0.009) ( 0.001, 0.006, 0.009) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.575, -0.404, 0.175) ( 0.575, -0.404, 0.175) ( 0.00, 0.00, 0.00) 248: electro ( 0.821, -0.881, 0.436) ( 0.821, -0.881, 0.436) ( 0.00, 0.00, 0.00) 248: 15 ( -0.046, -0.018, 0.011) ( -0.038, -0.002, 0.010) ( 0.03, 0.03, 0.00) 248: bond ( -7.125, -4.896, -9.263) ( -7.121, -4.892, -9.259) ( 0.06, 0.09, 0.05) 248: angle ( 6.393, 2.270, 5.666) ( 6.394, 2.272, 5.667) ( 0.03, 0.07, 0.03) 248: strbnd ( 0.273, -0.725, -1.181) ( 0.272, -0.726, -1.182) ( 0.02, 0.04, 0.08) 248: torsion ( 1.289, -0.354, -0.774) ( 1.289, -0.353, -0.774) ( 0.00, 0.00, 0.00) 248: oop ( -0.010, -0.056, 0.038) ( -0.009, -0.047, 0.031) ( 0.00, 0.05, 0.02) 248: vdw ( -0.361, 3.610, 5.432) ( -0.361, 3.610, 5.432) ( 0.00, 0.00, 0.00) 248: electro ( -0.503, 0.134, 0.095) ( -0.503, 0.134, 0.095) ( 0.00, 0.00, 0.00) 248: 16 ( 0.036, -0.004, 0.009) ( 0.041, -0.003, 0.010) ( 0.02, 0.00, 0.00) 248: bond ( -1.105, 0.206, 0.001) ( -1.100, 0.206, 0.001) ( 0.41, 0.00, 0.00) 248: angle ( 0.001, 0.005, 0.007) ( 0.001, 0.005, 0.007) ( 0.00, 0.00, 0.00) 248: strbnd ( 3.048, -0.570, -0.001) ( 3.048, -0.570, -0.001) ( 0.00, 0.00, 0.00) 248: torsion ( -0.000, -0.001, 0.001) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.001, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.498, 0.093, 0.000) ( -0.498, 0.093, 0.001) ( 0.00, 0.00, 0.00) 248: electro ( -1.410, 0.264, 0.001) ( -1.410, 0.264, 0.001) ( 0.00, 0.00, 0.00) 248: 17 ( -0.037, 0.047, 0.071) ( -0.035, 0.047, 0.074) ( 0.01, 0.00, 0.02) 248: bond ( -0.132, 0.174, 0.223) ( -0.131, 0.175, 0.225) ( 0.01, 0.03, 0.05) 248: angle ( 1.479, 0.192, 0.711) ( 1.480, 0.192, 0.711) ( 0.05, 0.00, 0.01) 248: strbnd ( 1.315, -1.062, -1.217) ( 1.315, -1.062, -1.217) ( 0.00, 0.00, 0.00) 248: torsion ( -0.011, -0.057, 0.038) ( -0.011, -0.057, 0.038) ( 0.00, 0.00, 0.00) 248: oop ( 0.001, 0.006, -0.004) ( 0.001, 0.005, -0.003) ( 0.00, 0.00, 0.00) 250: electro ( -0.472, 0.102, 0.028) ( -0.472, 0.102, 0.028) ( 0.00, 0.00, 0.00) 250: 29 ( 6.269, 4.842, 17.665) ( 6.271, 4.844, 17.666) ( 0.04, 0.03, 0.00) 250: bond ( 13.347, 7.815, 1.928) ( 13.349, 7.816, 1.928) ( 0.02, 0.01, 0.01) 250: angle ( -3.942, 1.678, 20.486) ( -3.942, 1.679, 20.487) ( 0.01, 0.03, 0.00) 250: strbnd ( -1.485, -0.391, -0.372) ( -1.485, -0.391, -0.372) ( 0.00, 0.00, 0.00) 250: torsion ( -0.296, 0.484, 0.090) ( -0.296, 0.484, 0.090) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.355, -4.745, -4.467) ( -1.355, -4.744, -4.467) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( -8.350, 0.131, 25.967) ( -8.349, 0.134, 25.968) ( 0.01, 0.04, 0.00) 250: bond ( -1.481, 11.557, 2.165) ( -1.481, 11.560, 2.165) ( 0.01, 0.03, 0.01) 250: angle ( -9.788, -6.150, 26.139) ( -9.788, -6.150, 26.139) ( 0.00, 0.00, 0.00) 250: strbnd ( 0.626, -4.365, -1.021) ( 0.626, -4.365, -1.021) ( 0.00, 0.00, 0.00) 250: torsion ( 1.782, 0.049, 0.957) ( 1.782, 0.049, 0.957) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.511, -0.961, -2.273) ( 0.511, -0.961, -2.273) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 31 (-14.899, 11.820, 16.748) (-14.898, 11.820, 16.750) ( 0.01, 0.01, 0.01) 250: bond ( 5.176, -2.757, 10.225) ( 5.177, -2.757, 10.227) ( 0.01, 0.01, 0.02) 250: angle (-19.241, 13.946, 13.498) (-19.241, 13.947, 13.498) ( 0.00, 0.00, 0.00) 250: strbnd ( -2.072, 1.072, -4.471) ( -2.072, 1.072, -4.471) ( 0.00, 0.00, 0.00) 250: torsion ( 0.541, 0.941, -0.020) ( 0.541, 0.941, -0.020) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.698, -1.382, -2.484) ( 0.698, -1.382, -2.484) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 32 ( -4.993, 10.176, 24.023) ( -4.991, 10.177, 24.024) ( 0.05, 0.01, 0.00) 250: bond (-10.690, -3.803, 2.337) (-10.687, -3.803, 2.338) ( 0.02, 0.01, 0.01) 250: angle ( 0.606, 13.614, 24.917) ( 0.606, 13.614, 24.917) ( 0.00, 0.00, 0.00) 250: strbnd ( 3.553, 1.168, -0.972) ( 3.553, 1.168, -0.972) ( 0.00, 0.00, 0.00) 250: torsion ( -0.030, 0.061, -0.037) ( -0.030, 0.061, -0.037) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.567, -0.863, -2.222) ( 1.567, -0.863, -2.222) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 33 ( 19.334, -14.895, -24.368) ( 19.332, -14.890, -24.369) ( 0.01, 0.03, 0.00) 250: bond ( -4.753, -12.511, 5.560) ( -4.753, -12.507, 5.561) ( 0.01, 0.03, 0.01) 250: angle ( 21.861, -17.415, -20.481) ( 21.860, -17.414, -20.482) ( 0.00, 0.00, 0.00) 250: strbnd ( 2.809, 8.054, -3.331) ( 2.809, 8.054, -3.331) ( 0.00, 0.00, 0.00) 250: torsion ( -6.332, -0.435, -6.389) ( -6.334, -0.435, -6.390) ( 0.02, 0.00, 0.02) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.007, 0.074, -0.052) ( 0.007, 0.074, -0.052) ( 0.00, 0.00, 0.00) 250: electro ( 5.743, 7.338, 0.326) ( 5.743, 7.338, 0.326) ( 0.00, 0.00, 0.00) 250: ok 30 # gradients 250: ok 31 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 252: 40 ( 0.840, -0.019, -0.312) ( 0.841, -0.018, -0.309) ( 0.11, 0.00, 0.07) 252: bond ( -1.264, 0.699, -1.919) ( -1.263, 0.699, -1.917) ( 0.07, 0.02, 0.11) 252: angle ( 0.476, 0.291, -0.208) ( 0.477, 0.292, -0.208) ( 0.02, 0.02, 0.00) 252: strbnd ( 0.323, 0.150, 1.507) ( 0.323, 0.150, 1.507) ( 0.00, 0.00, 0.00) 252: torsion ( 0.949, 0.716, -0.364) ( 0.949, 0.716, -0.364) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.355, -1.875, 0.672) ( 0.355, -1.875, 0.672) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 41 ( 0.302, 0.253, -0.644) ( 0.303, 0.254, -0.641) ( 0.04, 0.02, 0.15) 252: bond ( -1.052, 0.652, 1.694) ( -1.051, 0.653, 1.696) ( 0.08, 0.02, 0.13) 252: angle ( 1.336, 3.153, -0.385) ( 1.337, 3.153, -0.384) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.202, 0.175, -1.360) ( 0.202, 0.175, -1.360) ( 0.00, 0.00, 0.00) 252: torsion ( -0.348, -0.299, -0.101) ( -0.348, -0.299, -0.101) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.164, -3.428, -0.491) ( 0.164, -3.428, -0.491) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 42 ( 0.242, -0.051, 0.087) ( 0.243, -0.051, 0.090) ( 0.02, 0.00, 0.03) 252: bond ( 0.344, 0.091, -1.789) ( 0.344, 0.091, -1.786) ( 0.00, 0.00, 0.18) 252: angle ( -2.274, 1.718, -0.351) ( -2.274, 1.718, -0.351) ( 0.02, 0.03, 0.00) 252: strbnd ( 0.055, 0.966, 0.467) ( 0.055, 0.966, 0.467) ( 0.00, 0.00, 0.00) 252: torsion ( 0.347, 0.529, 0.094) ( 0.347, 0.529, 0.094) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.770, -3.355, 1.666) ( 1.770, -3.355, 1.666) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 43 ( 0.647, 0.422, -0.099) ( 0.648, 0.424, -0.099) ( 0.07, 0.12, 0.01) 252: bond ( -0.598, 1.361, 0.419) ( -0.597, 1.363, 0.420) ( 0.03, 0.19, 0.01) 252: angle ( 0.254, 1.061, -3.086) ( 0.255, 1.061, -3.085) ( 0.01, 0.01, 0.02) 252: strbnd ( 0.585, 0.274, -0.771) ( 0.585, 0.274, -0.771) ( 0.00, 0.00, 0.00) 252: torsion ( -0.431, -0.894, 2.291) ( -0.431, -0.894, 2.291) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.837, -1.379, 1.046) ( 0.837, -1.379, 1.046) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 44 ( -0.948, 0.980, 0.797) ( -0.947, 0.982, 0.799) ( 0.08, 0.11, 0.21) 252: bond ( -0.079, -0.094, -0.209) ( -0.078, -0.094, -0.207) ( 0.00, 0.00, 0.05) 252: angle ( -1.561, 3.754, -1.115) ( -1.561, 3.755, -1.115) ( 0.03, 0.01, 0.01) 252: strbnd ( -1.025, 0.299, 0.384) ( -1.025, 0.299, 0.384) ( 0.00, 0.00, 0.00) 252: torsion ( 0.309, -1.025, 0.349) ( 0.309, -1.025, 0.349) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.408, -1.954, 1.389) ( 1.408, -1.954, 1.389) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 45 ( 0.684, 0.907, 1.369) ( 0.687, 0.908, 1.370) ( 0.16, 0.08, 0.09) 252: bond ( -1.901, 0.820, 1.194) ( -1.899, 0.820, 1.195) ( 0.11, 0.03, 0.07) 252: angle ( -0.217, -0.147, -0.244) ( -0.216, -0.146, -0.243) ( 0.00, 0.01, 0.01) 252: strbnd ( -0.303, -0.559, -1.117) ( -0.303, -0.559, -1.117) ( 0.00, 0.00, 0.00) 252: torsion ( 1.043, 1.144, 0.873) ( 1.043, 1.144, 0.873) ( 0.00, 0.00, 0.00) 248: vdw ( -4.211, 0.450, -0.614) ( -4.210, 0.450, -0.614) ( 0.00, 0.00, 0.00) 248: electro ( 1.521, 0.344, 0.934) ( 1.521, 0.344, 0.934) ( 0.00, 0.00, 0.00) 248: 18 ( -0.041, 0.022, 0.048) ( -0.037, 0.019, 0.060) ( 0.02, 0.01, 0.05) 248: bond ( -4.885, 7.159, 9.319) ( -4.880, 7.163, 9.323) ( 0.09, 0.06, 0.05) 248: angle ( 5.152, -4.463, -5.651) ( 5.154, -4.462, -5.649) ( 0.04, 0.03, 0.03) 248: strbnd ( 0.516, 0.583, 1.171) ( 0.515, 0.582, 1.170) ( 0.03, 0.04, 0.08) 248: torsion ( 1.334, -0.130, 0.768) ( 1.334, -0.130, 0.768) ( 0.00, 0.00, 0.00) 248: oop ( 0.010, 0.051, -0.034) ( 0.008, 0.042, -0.028) ( 0.00, 0.04, 0.02) 248: vdw ( -1.650, -3.234, -5.431) ( -1.650, -3.234, -5.431) ( 0.01, 0.00, 0.00) 248: electro ( -0.518, 0.057, -0.094) ( -0.518, 0.057, -0.094) ( 0.00, 0.00, 0.00) 248: 19 ( -0.026, -0.013, -0.044) ( -0.024, -0.011, -0.042) ( 0.01, 0.00, 0.01) 248: bond ( -0.161, -0.100, -0.195) ( -0.159, -0.099, -0.193) ( 0.03, 0.01, 0.05) 248: angle ( 1.304, -0.712, -0.711) ( 1.305, -0.712, -0.711) ( 0.04, 0.01, 0.01) 248: strbnd ( 1.615, 0.513, 1.214) ( 1.615, 0.513, 1.214) ( 0.00, 0.00, 0.00) 248: torsion ( 0.011, 0.057, -0.038) ( 0.011, 0.058, -0.038) ( 0.00, 0.00, 0.00) 248: oop ( -0.001, -0.006, 0.004) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 248: vdw ( -4.086, 1.106, 0.619) ( -4.086, 1.106, 0.619) ( 0.00, 0.00, 0.00) 248: electro ( 1.292, -0.870, -0.936) ( 1.292, -0.870, -0.936) ( 0.00, 0.00, 0.00) 248: 20 ( 0.018, -0.043, 0.008) ( 0.019, -0.041, 0.009) ( 0.00, 0.01, 0.00) 248: bond ( 0.288, -0.750, 0.412) ( 0.289, -0.747, 0.413) ( 0.01, 0.20, 0.03) 248: angle ( -1.609, -0.393, 0.414) ( -1.608, -0.393, 0.414) ( 0.04, 0.00, 0.00) 248: strbnd ( -0.388, -0.178, 0.149) ( -0.388, -0.178, 0.149) ( 0.00, 0.00, 0.00) 248: torsion ( 0.002, 0.011, 0.019) ( 0.002, 0.011, 0.019) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 1.503, 1.719, -1.212) ( 1.503, 1.719, -1.212) ( 0.00, 0.00, 0.00) 248: electro ( 0.221, -0.453, 0.225) ( 0.221, -0.453, 0.225) ( 0.00, 0.00, 0.00) 248: 21 ( 0.039, 0.039, -0.040) ( 0.041, 0.040, -0.039) ( 0.01, 0.01, 0.00) 248: bond ( -1.156, -1.042, 0.748) ( -1.154, -1.041, 0.749) ( 0.15, 0.13, 0.05) 248: angle ( -0.862, 0.717, -0.330) ( -0.861, 0.717, -0.330) ( 0.04, 0.02, 0.00) 248: strbnd ( 0.292, -0.327, 0.162) ( 0.292, -0.327, 0.162) ( 0.00, 0.00, 0.00) 248: torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.007) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 248: vdw ( 0.682, 0.169, -0.176) ( 0.682, 0.169, -0.176) ( 0.00, 0.00, 0.00) 248: electro ( 1.083, 0.525, -0.437) ( 1.083, 0.525, -0.437) ( 0.00, 0.00, 0.00) 248: 22 ( -0.002, -0.011, 0.010) ( -0.001, -0.009, 0.011) ( 0.00, 0.00, 0.00) 248: bond ( -0.526, 0.784, -0.542) ( -0.525, 0.786, -0.541) ( 0.04, 0.14, 0.05) 248: angle ( 1.195, -1.233, -2.949) ( 1.195, -1.233, -2.949) ( 0.03, 0.02, 0.01) 248: strbnd ( -0.255, -0.588, -0.393) ( -0.255, -0.588, -0.393) ( 0.00, 0.00, 0.00) 248: torsion ( -0.565, -0.064, 0.455) ( -0.565, -0.064, 0.455) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.149, 1.091, 3.440) ( 0.149, 1.091, 3.440) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 23 ( -0.002, -0.011, 0.000) ( -0.001, -0.010, 0.001) ( 0.00, 0.00, 0.00) 248: bond ( -0.710, -0.703, 0.394) ( -0.709, -0.701, 0.395) ( 0.11, 0.10, 0.02) 250: 1 ( -0.255, -0.617, 1.068) ( -0.201, -0.530, 0.886) ( 1.38, 5.33, 17.03) 250: bond ( 6.922, 0.175, 2.287) ( 6.926, 0.180, 2.292) ( 0.06, 0.08, 0.20) 250: angle ( -5.931, 2.410, 0.271) ( -5.930, 2.412, 0.272) ( 0.03, 0.08, 0.04) 250: strbnd ( 0.198, 0.872, 0.213) ( 0.197, 0.872, 0.213) ( 0.01, 0.04, 0.01) 250: torsion ( 0.468, -0.938, -1.518) ( 0.468, -0.938, -1.518) ( 0.00, 0.00, 0.00) 250: oop ( -0.334, -0.538, 1.283) ( -0.285, -0.457, 1.096) ( 1.63, 4.32, 14.61) 250: vdw ( -0.832, -1.739, -0.997) ( -0.832, -1.739, -0.997) ( 0.00, 0.00, 0.00) 250: electro ( -0.746, -0.859, -0.471) ( -0.746, -0.859, -0.471) ( 0.00, 0.00, 0.00) 250: 2 ( 0.399, 1.062, -2.385) ( 0.187, 0.693, -1.476) ( 8.42, 34.69, 38.11) 250: bond ( -2.739, 1.957, -0.129) ( -2.733, 1.965, -0.128) ( 0.24, 0.42, 0.02) 250: angle ( 14.443, -7.136, 1.147) ( 14.446, -7.134, 1.148) ( 0.02, 0.02, 0.06) 250: strbnd ( -7.334, 6.670, 1.385) ( -7.335, 6.668, 1.385) ( 0.01, 0.03, 0.02) 250: torsion ( -0.041, 0.220, 0.015) ( -0.041, 0.220, 0.016) ( 0.00, 0.00, 0.00) 250: oop ( 1.254, 2.136, -5.164) ( 1.034, 1.760, -4.257) (17.50, 17.63, 17.56) 250: vdw ( -4.625, -1.230, -1.537) ( -4.625, -1.230, -1.537) ( 0.00, 0.00, 0.00) 250: electro ( -0.559, -1.556, 1.897) ( -0.559, -1.556, 1.897) ( 0.00, 0.00, 0.00) 250: 3 ( 0.099, -0.104, -0.377) ( 0.100, -0.101, -0.376) ( 0.01, 0.03, 0.02) 250: bond ( 0.134, 0.394, -0.032) ( 0.135, 0.397, -0.032) ( 0.00, 0.12, 0.00) 250: angle ( 1.589, -0.626, -1.067) ( 1.590, -0.626, -1.067) ( 0.03, 0.00, 0.04) 250: strbnd ( 0.319, 0.162, 0.070) ( 0.319, 0.162, 0.070) ( 0.00, 0.00, 0.00) 250: torsion ( -0.213, 0.132, 0.739) ( -0.213, 0.132, 0.739) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.730, -0.167, -0.086) ( -1.730, -0.167, -0.086) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 4 ( 0.072, 0.361, -0.277) ( 0.073, 0.362, -0.276) ( 0.01, 0.05, 0.04) 250: bond ( 0.230, -0.232, -0.242) ( 0.231, -0.231, -0.241) ( 0.03, 0.03, 0.03) 250: angle ( 3.596, 2.214, 1.320) ( 3.596, 2.214, 1.320) ( 0.01, 0.01, 0.02) 250: strbnd ( 0.657, -0.379, -0.320) ( 0.657, -0.379, -0.320) ( 0.00, 0.00, 0.00) 250: torsion ( 0.067, 0.385, -0.305) ( 0.067, 0.385, -0.305) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.478, -1.627, -0.730) ( -4.478, -1.627, -0.730) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 ( -0.048, 0.159, 0.077) ( -0.047, 0.160, 0.080) ( 0.00, 0.01, 0.02) 250: bond ( 0.002, -0.007, 0.018) ( 0.002, -0.007, 0.021) ( 0.00, 0.00, 0.01) 250: angle ( 0.435, -0.097, -0.074) ( 0.436, -0.096, -0.074) ( 0.02, 0.00, 0.00) 250: strbnd ( 0.316, -0.158, 0.593) ( 0.316, -0.158, 0.593) ( 0.00, 0.00, 0.00) 250: torsion ( -0.071, 0.501, 0.170) ( -0.071, 0.501, 0.170) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.730, -0.080, -0.631) ( -0.730, -0.080, -0.631) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 6 ( -0.044, -0.320, 0.515) ( 0.046, -0.160, 0.153) ( 0.39, 5.13, 18.69) 250: bond ( -2.835, 3.345, 0.762) ( -2.831, 3.350, 0.763) ( 0.13, 0.16, 0.02) 250: angle ( -1.494, -1.139, -0.542) ( -1.493, -1.138, -0.541) ( 0.03, 0.02, 0.01) 250: strbnd ( 7.239, -8.454, -1.930) ( 7.239, -8.454, -1.930) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.062, -0.352, 0.663) ( 2.062, -0.352, 0.663) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 46 ( 0.367, -0.348, 0.007) ( 0.368, -0.346, 0.010) ( 0.03, 0.04, 0.00) 252: bond ( -0.743, 1.942, 5.648) ( -0.743, 1.943, 5.651) ( 0.01, 0.02, 0.05) 252: angle ( -0.834, 2.429, -0.945) ( -0.833, 2.430, -0.945) ( 0.05, 0.03, 0.01) 252: strbnd ( -0.401, -0.284, -2.968) ( -0.401, -0.284, -2.968) ( 0.00, 0.00, 0.00) 252: torsion ( -0.439, -1.217, 0.361) ( -0.439, -1.217, 0.361) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.784, -3.218, -2.089) ( 2.784, -3.218, -2.089) ( 0.00, 0.01, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 47 ( 0.015, -0.265, 0.203) ( 0.016, -0.264, 0.204) ( 0.00, 0.04, 0.03) 252: bond ( 0.405, -0.387, -0.424) ( 0.406, -0.386, -0.423) ( 0.05, 0.04, 0.05) 252: angle ( -2.172, -2.780, 0.450) ( -2.171, -2.779, 0.451) ( 0.02, 0.01, 0.02) 252: strbnd ( -0.734, 0.044, 1.793) ( -0.734, 0.044, 1.793) ( 0.00, 0.00, 0.00) 252: torsion ( -0.276, -0.075, -0.196) ( -0.276, -0.075, -0.196) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.791, 2.933, -1.421) ( 2.791, 2.933, -1.421) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 48 ( -0.723, -0.153, -2.370) ( -0.721, -0.151, -2.369) ( 0.12, 0.03, 0.05) 252: bond ( -0.977, 1.037, 0.786) ( -0.976, 1.038, 0.787) ( 0.12, 0.13, 0.06) 252: angle ( -0.242, 0.074, -0.397) ( -0.241, 0.074, -0.397) ( 0.01, 0.00, 0.01) 252: strbnd ( 0.015, -0.149, -2.101) ( 0.015, -0.149, -2.101) ( 0.00, 0.00, 0.00) 252: torsion ( -0.303, 0.391, -0.890) ( -0.303, 0.391, -0.890) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.783, -1.505, 0.233) ( 0.783, -1.505, 0.233) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 49 ( 0.608, -1.419, -1.523) ( 0.609, -1.418, -1.520) ( 0.04, 0.06, 0.21) 252: bond ( -0.234, 0.800, -3.501) ( -0.234, 0.800, -3.498) ( 0.00, 0.01, 0.09) 252: angle ( -0.364, -2.283, -0.498) ( -0.363, -2.283, -0.498) ( 0.02, 0.02, 0.00) 252: strbnd ( -1.308, 0.802, 1.925) ( -1.308, 0.802, 1.925) ( 0.00, 0.00, 0.00) 252: torsion ( 1.209, -1.267, -0.371) ( 1.209, -1.267, -0.371) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.305, 0.529, 0.922) ( 1.305, 0.529, 0.922) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 50 ( -1.926, -0.688, -1.325) ( -1.925, -0.687, -1.323) ( 0.05, 0.11, 0.15) 252: bond ( 1.132, -1.684, -2.127) ( 1.132, -1.683, -2.125) ( 0.04, 0.07, 0.08) 252: angle ( -0.386, 0.713, -0.771) ( -0.386, 0.714, -0.771) ( 0.02, 0.03, 0.02) 252: strbnd ( -0.234, -0.477, 1.916) ( -0.234, -0.478, 1.916) ( 0.00, 0.00, 0.00) 252: torsion ( -0.839, 0.814, -1.092) ( -0.839, 0.814, -1.092) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.600, -0.054, 0.749) ( -1.600, -0.054, 0.749) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 51 ( 0.141, -0.997, -1.237) ( 0.142, -0.996, -1.234) ( 0.01, 0.10, 0.23) 252: bond ( -0.459, 0.602, -1.366) ( -0.459, 0.603, -1.364) ( 0.01, 0.03, 0.19) 248: angle ( 0.978, -1.990, -1.779) ( 0.979, -1.990, -1.778) ( 0.03, 0.01, 0.03) 248: strbnd ( -0.228, -0.099, -0.703) ( -0.228, -0.099, -0.703) ( 0.00, 0.00, 0.00) 248: torsion ( -0.442, 0.487, 0.072) ( -0.442, 0.487, 0.072) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 0.399, 2.293, 2.016) ( 0.399, 2.293, 2.016) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 24 ( 0.016, 0.004, -0.000) ( 0.017, 0.005, 0.001) ( 0.00, 0.00, 0.00) 248: bond ( 0.712, -0.619, -0.845) ( 0.713, -0.618, -0.844) ( 0.08, 0.05, 0.13) 248: angle ( -4.410, -0.925, -3.048) ( -4.410, -0.925, -3.048) ( 0.01, 0.03, 0.01) 248: strbnd ( -0.899, 0.082, -0.052) ( -0.899, 0.082, -0.052) ( 0.00, 0.00, 0.00) 248: torsion ( -0.011, -0.086, 0.054) ( -0.011, -0.086, 0.054) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 4.624, 1.552, 3.891) ( 4.624, 1.552, 3.891) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 25 ( 0.015, 0.029, -0.030) ( 0.017, 0.030, -0.029) ( 0.00, 0.00, 0.00) 248: bond ( -0.752, -0.529, 0.528) ( -0.750, -0.529, 0.529) ( 0.13, 0.05, 0.04) 248: angle ( 1.555, 0.717, 2.924) ( 1.555, 0.718, 2.924) ( 0.02, 0.03, 0.01) 248: strbnd ( -0.027, 0.641, 0.396) ( -0.027, 0.641, 0.396) ( 0.00, 0.00, 0.00) 248: torsion ( -0.505, 0.263, -0.453) ( -0.505, 0.263, -0.453) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.257, -1.063, -3.425) ( -0.257, -1.063, -3.425) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 26 ( -0.016, -0.001, -0.020) ( -0.014, -0.000, -0.018) ( 0.00, 0.00, 0.00) 248: bond ( 0.867, 0.313, 0.819) ( 0.869, 0.313, 0.821) ( 0.15, 0.01, 0.12) 248: angle ( -3.775, 2.481, 3.047) ( -3.775, 2.482, 3.047) ( 0.01, 0.02, 0.01) 248: strbnd ( -0.869, 0.249, 0.057) ( -0.869, 0.249, 0.057) ( 0.00, 0.00, 0.00) 248: torsion ( 0.019, 0.079, -0.051) ( 0.019, 0.079, -0.051) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 3.742, -3.123, -3.893) ( 3.742, -3.123, -3.893) ( 0.00, 0.00, 0.00) 248: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: 27 ( 0.012, -0.017, 0.007) ( 0.013, -0.015, 0.008) ( 0.00, 0.00, 0.00) 248: bond ( -0.401, 0.886, -0.386) ( -0.401, 0.889, -0.385) ( 0.02, 0.22, 0.02) 248: angle ( 1.642, 1.513, 1.782) ( 1.642, 1.513, 1.783) ( 0.02, 0.01, 0.03) 248: strbnd ( -0.174, 0.171, 0.708) ( -0.174, 0.170, 0.708) ( 0.00, 0.00, 0.00) 248: torsion ( -0.590, -0.296, -0.070) ( -0.590, -0.296, -0.070) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -0.465, -2.291, -2.028) ( -0.465, -2.291, -2.028) ( 0.00, 0.00, 0.00) 248: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: ok 34 # gradients 248: ok 35 # energy 248: ---------------------------------------------------------------------------------------- 248: 248: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr 248: 248: 248: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 248: ---------------------------------------------------------------------------------------- 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 250: torsion ( 0.145, 0.220, -0.431) ( 0.145, 0.220, -0.431) ( 0.00, 0.00, 0.00) 250: oop ( -0.410, -0.742, 1.739) ( -0.325, -0.588, 1.376) ( 3.49, 11.48, 20.89) 250: vdw ( -4.309, -6.669, -2.520) ( -4.309, -6.669, -2.520) ( 0.00, 0.00, 0.00) 250: electro ( 1.620, 13.118, 3.437) ( 1.620, 13.118, 3.437) ( 0.00, 0.00, 0.00) 250: 7 ( -1.084, -2.080, 4.678) ( -0.929, -1.820, 4.094) (14.27, 12.52, 12.48) 250: bond ( 17.866, -2.904, 4.744) ( 17.871, -2.899, 4.745) ( 0.03, 0.18, 0.03) 250: angle ( -8.512, -0.397, -1.184) ( -8.510, -0.396, -1.183) ( 0.02, 0.07, 0.06) 250: strbnd ( 0.437, -1.121, -0.832) ( 0.437, -1.122, -0.833) ( 0.02, 0.06, 0.02) 250: torsion ( -1.314, -1.588, 4.757) ( -1.314, -1.588, 4.757) ( 0.00, 0.00, 0.01) 250: oop ( -0.890, -1.592, 3.617) ( -0.742, -1.338, 3.031) (13.16, 15.96, 16.21) 250: vdw ( 1.892, 2.121, 0.955) ( 1.893, 2.121, 0.955) ( 0.01, 0.00, 0.00) 250: electro (-10.563, 3.402, -7.378) (-10.563, 3.402, -7.378) ( 0.00, 0.00, 0.00) 250: 8 ( 0.362, 0.876, -1.744) ( 0.339, 0.818, -1.626) ( 0.81, 5.07, 6.74) 250: bond ( -1.088, 0.983, 0.272) ( -1.086, 0.985, 0.272) ( 0.24, 0.21, 0.00) 250: angle ( -1.860, -1.398, -2.356) ( -1.859, -1.398, -2.356) ( 0.02, 0.02, 0.01) 250: strbnd ( -0.431, 2.009, 1.109) ( -0.431, 2.009, 1.109) ( 0.00, 0.00, 0.00) 250: torsion ( 0.185, 0.569, -1.322) ( 0.185, 0.569, -1.322) ( 0.00, 0.00, 0.01) 250: oop ( 0.183, 0.439, -0.858) ( 0.158, 0.378, -0.741) ( 0.46, 2.64, 10.05) 250: vdw ( 1.404, 2.236, 1.130) ( 1.404, 2.236, 1.130) ( 0.00, 0.00, 0.00) 250: electro ( 1.969, -3.962, 0.282) ( 1.969, -3.962, 0.282) ( 0.00, 0.00, 0.00) 250: 9 ( -0.244, 0.022, -1.499) ( 0.767, 0.942, -1.037) (24.71, 1.98, 30.81) 250: bond ( -7.812, -8.638, -5.588) ( -7.808, -8.633, -5.586) ( 0.05, 0.05, 0.04) 250: angle ( 12.778, 11.374, 19.741) ( 12.780, 11.376, 19.743) ( 0.02, 0.02, 0.01) 250: strbnd ( 4.362, 3.842, -7.340) ( 4.361, 3.842, -7.341) ( 0.02, 0.02, 0.01) 250: torsion ( -1.339, -2.456, -4.051) ( -1.339, -2.456, -4.051) ( 0.00, 0.00, 0.00) 250: oop ( -4.053, -4.498, -2.741) ( -3.047, -3.584, -2.283) (24.82, 20.32, 16.71) 250: vdw ( 0.230, 3.142, 1.240) ( 0.230, 3.143, 1.240) ( 0.00, 0.00, 0.00) 250: electro ( -4.410, -2.746, -2.761) ( -4.410, -2.746, -2.761) ( 0.00, 0.00, 0.00) 250: 10 ( -2.185, -5.140, -3.398) ( -2.240, -4.992, -3.264) ( 2.50, 2.89, 3.97) 250: bond ( -0.630, 1.775, 12.572) ( -0.627, 1.778, 12.577) ( 0.18, 0.16, 0.04) 250: angle ( 6.045, 0.014, -16.923) ( 6.048, 0.016, -16.921) ( 0.04, 0.00, 0.01) 250: strbnd ( -7.393, -1.780, -1.355) ( -7.394, -1.782, -1.356) ( 0.01, 0.08, 0.05) 250: torsion ( -2.978, 1.047, -0.463) ( -2.978, 1.047, -0.463) ( 0.00, 0.00, 0.00) 250: oop ( -0.874, -2.291, -1.521) ( -0.933, -2.145, -1.392) ( 5.17, 6.34, 8.45) 250: vdw ( 2.417, 3.304, 0.233) ( 2.417, 3.304, 0.233) ( 0.00, 0.00, 0.00) 250: electro ( 1.227, -7.208, 4.059) ( 1.227, -7.208, 4.059) ( 0.00, 0.00, 0.00) 250: 11 ( 3.745, 17.929, 6.367) ( 4.378, 17.893, 6.474) (16.89, 0.20, 1.69) 250: bond ( 10.742, 6.592, -1.930) ( 10.747, 6.594, -1.926) ( 0.05, 0.02, 0.18) 250: angle ( -4.937, -17.076, 7.817) ( -4.936, -17.075, 7.819) ( 0.04, 0.01, 0.03) 250: strbnd ( -1.830, -0.656, 3.895) ( -1.830, -0.657, 3.894) ( 0.03, 0.03, 0.01) 250: torsion ( 5.606, 14.261, -6.736) ( 5.606, 14.261, -6.736) ( 0.00, 0.00, 0.00) 250: oop ( -1.916, 3.215, 0.391) ( -1.291, 3.177, 0.494) (32.66, 1.18, 4.02) 250: vdw ( -1.251, 1.961, 1.619) ( -1.251, 1.961, 1.619) ( 0.01, 0.00, 0.00) 250: electro ( -2.668, 9.632, 1.310) ( -2.668, 9.632, 1.309) ( 0.00, 0.00, 0.00) 250: 12 ( -0.015, -0.043, -0.016) ( -0.014, -0.042, -0.013) ( 0.00, 0.01, 0.00) 252: angle ( -4.840, -2.593, 0.483) ( -4.839, -2.592, 0.483) ( 0.01, 0.02, 0.01) 252: strbnd ( -0.066, -0.914, -1.669) ( -0.066, -0.914, -1.669) ( 0.00, 0.00, 0.00) 252: torsion ( 0.609, -0.569, -0.456) ( 0.609, -0.569, -0.456) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.897, 2.477, 1.772) ( 4.897, 2.477, 1.772) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 52 ( -2.339, 0.741, 1.932) ( -2.338, 0.742, 1.935) ( 0.04, 0.05, 0.15) 252: bond ( -0.579, 0.431, -1.609) ( -0.579, 0.431, -1.606) ( 0.02, 0.01, 0.17) 252: angle ( -0.609, 2.084, 0.779) ( -0.609, 2.085, 0.779) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.098, 0.859, 1.399) ( 0.098, 0.859, 1.399) ( 0.00, 0.00, 0.00) 252: torsion ( -0.384, -0.338, 0.048) ( -0.384, -0.338, 0.048) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.864, -2.295, 1.315) ( -0.864, -2.295, 1.315) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 53 ( 0.056, -1.491, 2.539) ( 0.057, -1.489, 2.541) ( 0.01, 0.13, 0.06) 252: bond ( -1.594, 2.825, 2.595) ( -1.593, 2.827, 2.597) ( 0.03, 0.05, 0.05) 252: angle ( -1.514, -2.295, 1.569) ( -1.514, -2.295, 1.569) ( 0.03, 0.01, 0.02) 252: strbnd ( 0.494, -0.602, -2.308) ( 0.494, -0.602, -2.308) ( 0.00, 0.00, 0.00) 252: torsion ( 1.240, -0.042, 0.806) ( 1.240, -0.042, 0.806) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.431, -1.377, -0.123) ( 1.431, -1.377, -0.123) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 54 ( -1.751, -1.353, 0.152) ( -1.750, -1.352, 0.155) ( 0.04, 0.06, 0.05) 252: bond ( -0.353, 0.090, 4.018) ( -0.353, 0.090, 4.021) ( 0.00, 0.00, 0.08) 252: angle ( -0.173, -0.584, -0.002) ( -0.173, -0.583, -0.002) ( 0.01, 0.04, 0.00) 252: strbnd ( 0.100, -0.938, -1.958) ( 0.100, -0.938, -1.958) ( 0.00, 0.00, 0.00) 252: torsion ( -1.477, -0.328, -0.122) ( -1.476, -0.328, -0.122) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.153, 0.407, -1.784) ( 0.153, 0.407, -1.784) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 55 ( -0.691, -0.566, -0.526) ( -0.688, -0.566, -0.525) ( 0.22, 0.04, 0.04) 252: bond ( -0.658, -0.057, -0.193) ( -0.655, -0.057, -0.193) ( 0.21, 0.00, 0.01) 252: angle ( 0.205, -4.548, 0.655) ( 0.205, -4.547, 0.655) ( 0.00, 0.01, 0.03) 252: strbnd ( -0.169, -0.573, -0.356) ( -0.169, -0.573, -0.356) ( 0.00, 0.00, 0.00) 252: torsion ( 0.064, 0.110, -0.250) ( 0.064, 0.110, -0.250) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.132, 4.501, -0.381) ( -0.132, 4.502, -0.381) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 56 ( -1.939, -2.205, 0.809) ( -1.938, -2.204, 0.812) ( 0.03, 0.03, 0.27) 252: bond ( -0.033, -0.223, -1.036) ( -0.033, -0.223, -1.033) ( 0.00, 0.00, 0.31) 252: angle ( 0.267, -3.200, 0.682) ( 0.267, -3.200, 0.682) ( 0.01, 0.02, 0.00) 252: strbnd ( 0.445, -0.392, 0.323) ( 0.445, -0.392, 0.323) ( 0.00, 0.00, 0.00) 252: torsion ( -0.267, -0.189, 0.049) ( -0.267, -0.189, 0.049) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.350, 1.799, 0.791) ( -2.350, 1.799, 0.791) ( 0.00, 0.00, 0.00) 248: 1 ( 40.017, -0.918, 27.693) ( 40.022, -0.916, 27.698) ( 0.01, 0.21, 0.02) 248: bond ( 17.093, 4.746, 20.403) ( 17.097, 4.747, 20.407) ( 0.02, 0.02, 0.02) 248: angle ( 10.823, -6.670, -7.661) ( 10.824, -6.668, -7.659) ( 0.02, 0.03, 0.02) 248: strbnd ( -1.302, -1.496, -3.384) ( -1.303, -1.496, -3.384) ( 0.04, 0.04, 0.02) 248: torsion ( -0.752, -0.481, -0.404) ( -0.752, -0.481, -0.404) ( 0.01, 0.01, 0.00) 248: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 2.697, 3.940, 6.118) ( 2.697, 3.940, 6.118) ( 0.00, 0.00, 0.00) 248: electro ( 11.458, -0.958, 12.621) ( 11.458, -0.958, 12.621) ( 0.00, 0.00, 0.00) 248: 2 (-31.059, 8.802, 24.651) (-31.053, 8.807, 24.657) ( 0.02, 0.06, 0.02) 248: bond (-27.113, -0.560, 3.022) (-27.109, -0.556, 3.026) ( 0.02, 0.22, 0.12) 248: angle (-10.986, 1.327, 1.389) (-10.984, 1.329, 1.391) ( 0.02, 0.14, 0.17) 248: strbnd ( 6.026, 1.292, 2.785) ( 6.025, 1.291, 2.784) ( 0.02, 0.04, 0.03) 248: torsion ( 0.387, 2.102, 1.063) ( 0.387, 2.103, 1.063) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.974, -1.076, 6.259) ( -5.974, -1.076, 6.260) ( 0.00, 0.00, 0.00) 248: electro ( 6.602, 5.716, 10.133) ( 6.602, 5.716, 10.133) ( 0.00, 0.00, 0.00) 248: 3 (-13.765, -13.920, 11.801) (-13.759, -13.915, 11.806) ( 0.04, 0.04, 0.04) 248: bond ( -2.739, -3.315, 12.969) ( -2.735, -3.311, 12.974) ( 0.14, 0.12, 0.03) 248: angle ( 0.437, -11.359, -0.705) ( 0.439, -11.357, -0.703) ( 0.09, 0.02, 0.14) 248: strbnd ( 1.387, 2.155, -8.533) ( 1.387, 2.154, -8.535) ( 0.02, 0.03, 0.02) 248: torsion ( -2.416, 1.078, 0.854) ( -2.416, 1.078, 0.855) ( 0.00, 0.01, 0.00) 248: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -6.807, -1.527, 6.510) ( -6.807, -1.527, 6.510) ( 0.00, 0.00, 0.00) 248: electro ( -3.627, -0.951, 0.706) ( -3.627, -0.951, 0.706) ( 0.00, 0.00, 0.00) 248: 4 (-10.095, 5.283, -11.576) (-10.089, 5.286, -11.570) ( 0.05, 0.05, 0.05) 248: bond ( 0.949, -2.282, 0.268) ( 0.953, -2.280, 0.273) ( 0.43, 0.06, 0.13) 248: angle ( 0.591, 21.684, 6.844) ( 0.593, 21.686, 6.845) ( 0.09, 0.01, 0.02) 248: strbnd ( 1.406, -5.851, -0.013) ( 1.406, -5.852, -0.014) ( 0.04, 0.01, 0.00) 248: torsion ( 0.184, -1.989, -0.339) ( 0.185, -1.989, -0.339) ( 0.00, 0.01, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -5.463, -3.294, -7.182) ( -5.463, -3.294, -7.182) ( 0.00, 0.00, 0.00) 248: electro ( -7.762, -2.986, -11.154) ( -7.762, -2.986, -11.154) ( 0.00, 0.00, 0.00) 248: 5 ( 15.784, -6.823, -14.411) ( 15.790, -6.817, -14.405) ( 0.03, 0.08, 0.04) 248: bond ( 13.334, 0.629, -1.309) ( 13.339, 0.633, -1.305) ( 0.04, 0.25, 0.29) 248: angle ( 2.816, -10.985, -2.204) ( 2.818, -10.983, -2.202) ( 0.07, 0.02, 0.10) 248: strbnd ( -8.882, -0.451, 0.327) ( -8.883, -0.452, 0.326) ( 0.02, 0.02, 0.01) 248: torsion ( 0.798, 1.843, -1.911) ( 0.798, 1.843, -1.911) ( 0.00, 0.01, 0.01) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.392, 1.990, -5.711) ( 7.392, 1.990, -5.711) ( 0.00, 0.00, 0.00) 248: electro ( 0.327, 0.152, -3.602) ( 0.327, 0.152, -3.602) ( 0.00, 0.00, 0.00) 248: 6 ( 23.240, 20.461, -25.217) ( 23.246, 20.467, -25.212) ( 0.03, 0.03, 0.02) 248: bond ( 5.775, 7.666, -25.091) ( 5.778, 7.670, -25.086) ( 0.07, 0.05, 0.02) 248: angle ( 1.263, 4.370, -10.670) ( 1.265, 4.372, -10.668) ( 0.18, 0.05, 0.02) 248: strbnd ( 1.829, 0.313, 6.376) ( 1.828, 0.312, 6.375) ( 0.03, 0.02, 0.02) 250: bond ( -0.064, -0.227, -0.383) ( -0.063, -0.226, -0.380) ( 0.00, 0.02, 0.10) 250: angle ( -5.122, -0.874, 1.372) ( -5.121, -0.873, 1.372) ( 0.01, 0.03, 0.01) 250: strbnd ( 0.712, 0.432, 0.989) ( 0.712, 0.432, 0.989) ( 0.00, 0.00, 0.00) 250: torsion ( 0.289, -0.711, 0.374) ( 0.289, -0.711, 0.374) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.169, 1.337, -2.368) ( 4.169, 1.337, -2.368) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 13 ( 0.009, -0.036, -0.036) ( 0.011, -0.034, -0.035) ( 0.00, 0.01, 0.00) 250: bond ( 7.080, -17.260, 8.482) ( 7.081, -17.259, 8.482) ( 0.02, 0.01, 0.00) 250: angle ( -5.148, 2.623, -1.308) ( -5.148, 2.624, -1.307) ( 0.00, 0.03, 0.05) 250: strbnd ( -0.387, 6.300, -1.373) ( -0.387, 6.299, -1.373) ( 0.00, 0.01, 0.00) 250: torsion ( 0.837, 0.450, 0.871) ( 0.837, 0.450, 0.871) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.152, 6.289, -6.678) ( -2.152, 6.289, -6.677) ( 0.01, 0.00, 0.00) 250: electro ( -0.220, 1.563, -0.030) ( -0.220, 1.563, -0.030) ( 0.00, 0.00, 0.00) 250: 14 ( 0.757, -0.748, 0.385) ( -3.436, -5.579, -1.228) (317.23, 361.26, 62.00) 250: bond ( 1.728, 7.650, -26.617) ( 1.731, 7.651, -26.606) ( 0.18, 0.02, 0.04) 250: angle (-12.444, -3.256, -6.802) (-12.443, -3.255, -6.800) ( 0.01, 0.03, 0.03) 250: strbnd ( -0.283, -8.072, 23.375) ( -0.284, -8.072, 23.374) ( 0.01, 0.00, 0.01) 250: torsion ( -1.040, -7.523, 2.789) ( -1.040, -7.523, 2.789) ( 0.01, 0.00, 0.00) 250: oop ( 13.584, 16.275, 6.445) ( 9.386, 11.441, 4.821) (30.90, 29.70, 25.21) 250: vdw ( -7.544, -1.421, 3.983) ( -7.544, -1.421, 3.983) ( 0.00, 0.00, 0.00) 250: electro ( 6.757, -4.401, -2.789) ( 6.757, -4.401, -2.789) ( 0.00, 0.00, 0.00) 250: 15 ( 0.005, 0.033, -0.033) ( 0.006, 0.036, -0.032) ( 0.00, 0.01, 0.00) 250: bond ( -0.124, -3.231, -0.971) ( -0.124, -3.228, -0.971) ( 0.00, 0.10, 0.03) 250: angle ( 4.975, 0.074, -0.882) ( 4.976, 0.074, -0.882) ( 0.01, 0.00, 0.04) 250: strbnd ( -1.156, 1.633, -0.157) ( -1.156, 1.633, -0.157) ( 0.00, 0.00, 0.00) 250: torsion ( -0.003, -0.118, 0.391) ( -0.003, -0.118, 0.391) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.688, 1.674, 1.586) ( -3.688, 1.674, 1.586) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 16 ( -2.859, -3.548, -1.151) ( -0.202, -0.378, -0.176) (92.93, 89.34, 84.72) 250: bond ( -4.283, -2.663, 20.496) ( -4.282, -2.663, 20.505) ( 0.01, 0.00, 0.05) 250: angle ( -0.168, 2.881, 0.339) ( -0.168, 2.882, 0.339) ( 0.01, 0.01, 0.00) 250: strbnd ( 4.201, 1.886, -19.314) ( 4.201, 1.886, -19.314) ( 0.00, 0.01, 0.00) 250: torsion ( 1.428, 2.859, 0.669) ( 1.428, 2.859, 0.669) ( 0.00, 0.00, 0.00) 250: oop ( -7.000, -8.683, -2.589) ( -4.344, -5.513, -1.623) (37.94, 36.51, 37.31) 250: vdw ( -3.415, -0.431, 2.105) ( -3.415, -0.431, 2.105) ( 0.00, 0.00, 0.00) 250: electro ( 6.378, 0.602, -2.858) ( 6.378, 0.602, -2.858) ( 0.00, 0.00, 0.00) 250: 17 ( 0.002, 0.044, -0.035) ( 0.007, 0.048, -0.031) ( 0.00, 0.02, 0.02) 250: bond ( -7.091, 2.130, -1.977) ( -7.088, 2.132, -1.974) ( 0.05, 0.14, 0.17) 250: angle ( 4.462, 8.345, -1.889) ( 4.464, 8.347, -1.887) ( 0.04, 0.02, 0.09) 250: strbnd ( 3.433, -7.634, 3.029) ( 3.432, -7.635, 3.028) ( 0.02, 0.01, 0.02) 250: torsion ( -1.315, -0.128, -0.321) ( -1.315, -0.128, -0.321) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 57 ( -0.222, -0.711, 1.702) ( -0.221, -0.708, 1.703) ( 0.02, 0.16, 0.07) 252: bond ( -1.423, -3.015, 1.849) ( -1.423, -3.013, 1.849) ( 0.03, 0.07, 0.04) 252: angle ( 1.191, -0.586, -0.038) ( 1.192, -0.586, -0.038) ( 0.04, 0.01, 0.00) 252: strbnd ( 0.927, 0.636, -0.840) ( 0.927, 0.636, -0.840) ( 0.00, 0.00, 0.00) 252: torsion ( 0.670, 0.208, 0.854) ( 0.670, 0.208, 0.854) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.587, 2.046, -0.123) ( -1.587, 2.046, -0.123) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 58 ( -1.065, -1.279, -1.213) ( -1.063, -1.277, -1.212) ( 0.14, 0.19, 0.05) 252: bond ( -0.341, 0.461, 0.108) ( -0.340, 0.463, 0.108) ( 0.04, 0.10, 0.00) 252: angle ( -2.386, -1.529, -0.965) ( -2.386, -1.529, -0.964) ( 0.01, 0.01, 0.04) 252: strbnd ( -0.455, -0.647, -0.480) ( -0.455, -0.647, -0.480) ( 0.00, 0.00, 0.00) 252: torsion ( 0.014, 0.020, -0.041) ( 0.014, 0.020, -0.041) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.104, 0.416, 0.164) ( 2.104, 0.416, 0.164) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 59 ( -1.070, -1.140, -0.343) ( -1.069, -1.138, -0.342) ( 0.10, 0.20, 0.03) 252: bond ( -1.369, -2.487, 1.248) ( -1.368, -2.484, 1.248) ( 0.05, 0.09, 0.04) 252: angle ( -1.624, 0.072, -1.636) ( -1.623, 0.072, -1.636) ( 0.03, 0.00, 0.03) 252: strbnd ( -0.372, 0.804, -0.765) ( -0.372, 0.804, -0.765) ( 0.00, 0.00, 0.00) 252: torsion ( -0.290, 0.448, 0.574) ( -0.290, 0.448, 0.574) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.584, 0.022, 0.237) ( 2.584, 0.022, 0.237) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 60 ( -0.358, -1.910, -0.423) ( -0.357, -1.909, -0.420) ( 0.02, 0.03, 0.14) 252: bond ( 0.061, -0.358, -2.470) ( 0.061, -0.358, -2.467) ( 0.00, 0.00, 0.13) 252: angle ( -2.334, -1.222, 0.119) ( -2.334, -1.222, 0.119) ( 0.02, 0.04, 0.00) 252: strbnd ( -0.879, 0.068, 0.565) ( -0.879, 0.068, 0.565) ( 0.00, 0.00, 0.00) 252: torsion ( 0.016, -0.218, 0.032) ( 0.016, -0.218, 0.032) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.778, -0.179, 1.331) ( 2.778, -0.179, 1.331) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 61 ( -1.170, -0.189, 0.037) ( -1.168, -0.188, 0.038) ( 0.25, 0.01, 0.00) 252: bond ( -0.428, -0.103, -0.175) ( -0.426, -0.103, -0.175) ( 0.12, 0.00, 0.01) 252: angle ( -0.331, -3.245, 2.709) ( -0.331, -3.244, 2.710) ( 0.00, 0.01, 0.02) 252: strbnd ( -0.890, -0.655, 0.505) ( -0.890, -0.655, 0.505) ( 0.00, 0.00, 0.00) 252: torsion ( -0.146, 0.349, 0.151) ( -0.146, 0.349, 0.152) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.626, 3.464, -3.153) ( 0.626, 3.464, -3.153) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 62 ( -1.757, 0.318, 0.260) ( -1.756, 0.322, 0.261) ( 0.03, 0.11, 0.02) 252: bond ( 0.021, 0.242, -0.008) ( 0.021, 0.246, -0.008) ( 0.00, 0.08, 0.00) 252: angle ( 2.576, -0.098, 3.676) ( 2.576, -0.098, 3.677) ( 0.02, 0.00, 0.01) 248: torsion ( 2.320, 0.305, 0.903) ( 2.321, 0.305, 0.903) ( 0.00, 0.00, 0.00) 248: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 7.013, 1.540, -5.601) ( 7.013, 1.540, -5.601) ( 0.00, 0.00, 0.00) 248: electro ( 5.041, 6.267, 8.866) ( 5.041, 6.267, 8.865) ( 0.00, 0.00, 0.00) 248: 7 ( -5.321, -8.169, -8.288) ( -5.316, -8.164, -8.283) ( 0.11, 0.07, 0.07) 248: bond ( -5.766, -6.148, -8.390) ( -5.762, -6.144, -8.385) ( 0.07, 0.07, 0.05) 248: angle ( -0.655, -5.211, -2.282) ( -0.653, -5.209, -2.280) ( 0.12, 0.03, 0.08) 248: strbnd ( 5.025, 4.822, 7.145) ( 5.024, 4.821, 7.144) ( 0.01, 0.02, 0.01) 248: torsion ( 0.524, -0.894, 0.352) ( 0.524, -0.894, 0.352) ( 0.00, 0.01, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -4.384, -0.621, -5.255) ( -4.383, -0.621, -5.255) ( 0.00, 0.00, 0.00) 248: electro ( -0.066, -0.117, 0.141) ( -0.066, -0.117, 0.141) ( 0.00, 0.00, 0.00) 248: 8 ( -6.827, 14.475, 22.925) ( -6.821, 14.475, 22.975) ( 0.08, 0.00, 0.22) 248: bond ( 11.385, -12.341, -10.198) ( 11.388, -12.332, -10.191) ( 0.03, 0.07, 0.07) 248: angle (-32.172, 28.633, 36.543) (-32.169, 28.635, 36.546) ( 0.01, 0.01, 0.01) 248: strbnd ( 23.556, -6.610, -5.451) ( 23.555, -6.611, -5.452) ( 0.00, 0.02, 0.02) 248: torsion ( 0.338, -1.851, 0.344) ( 0.338, -1.851, 0.344) ( 0.00, 0.00, 0.00) 248: oop ( -0.005, 0.056, -0.231) ( -0.004, 0.046, -0.190) ( 0.00, 0.06, 0.96) 248: vdw ( 1.478, 1.254, 4.534) ( 1.478, 1.254, 4.535) ( 0.01, 0.00, 0.00) 248: electro (-11.406, 5.334, -2.617) (-11.406, 5.334, -2.617) ( 0.00, 0.00, 0.00) 248: 9 ( 5.719, -19.054, -11.028) ( 5.721, -19.052, -11.021) ( 0.03, 0.01, 0.06) 248: bond ( 1.485, 1.600, -4.386) ( 1.486, 1.600, -4.380) ( 0.05, 0.05, 0.14) 248: angle ( 5.763, -17.078, -4.285) ( 5.764, -17.078, -4.285) ( 0.01, 0.00, 0.00) 248: strbnd ( -0.447, -2.536, 3.420) ( -0.447, -2.536, 3.420) ( 0.00, 0.00, 0.00) 248: torsion ( 0.480, 0.079, 0.191) ( 0.480, 0.079, 0.191) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( 1.856, 0.959, 2.952) ( 1.856, 0.959, 2.952) ( 0.00, 0.00, 0.00) 248: electro ( -3.417, -2.078, -8.920) ( -3.417, -2.078, -8.920) ( 0.00, 0.00, 0.00) 248: 10 ( 10.482, -6.063, -18.767) ( 10.483, -6.056, -18.766) ( 0.01, 0.12, 0.01) 248: bond ( 0.309, -3.128, 0.485) ( 0.309, -3.121, 0.485) ( 0.00, 0.24, 0.01) 248: angle ( 15.756, -0.811, -15.260) ( 15.757, -0.811, -15.259) ( 0.00, 0.00, 0.01) 248: strbnd ( 0.664, 2.939, -1.490) ( 0.664, 2.939, -1.490) ( 0.00, 0.00, 0.00) 248: torsion ( -1.106, -0.157, -0.307) ( -1.106, -0.157, -0.307) ( 0.00, 0.00, 0.00) 248: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 248: vdw ( -2.387, 3.365, 2.847) ( -2.387, 3.365, 2.847) ( 0.00, 0.00, 0.00) 248: electro ( -2.755, -8.271, -5.043) ( -2.755, -8.271, -5.043) ( 0.00, 0.00, 0.00) 248: 11 (-10.638, -8.900, -5.709) (-10.635, -8.866, -5.820) ( 0.03, 0.38, 1.94) 248: bond ( -6.709, 1.922, 1.059) ( -6.705, 1.927, 1.060) ( 0.06, 0.26, 0.04) 248: angle ( 24.355, -15.184, -15.338) ( 24.357, -15.182, -15.338) ( 0.01, 0.01, 0.00) 248: strbnd (-18.936, 1.986, 0.297) (-18.936, 1.986, 0.297) ( 0.00, 0.00, 0.00) 248: torsion ( 0.305, -0.296, 4.647) ( 0.305, -0.296, 4.648) ( 0.00, 0.00, 0.02) 248: oop ( 0.009, -0.160, 0.679) ( 0.007, -0.133, 0.566) ( 0.00, 0.43, 7.65) 248: vdw ( -9.578, 2.904, 3.010) ( -9.577, 2.904, 3.010) ( 0.00, 0.00, 0.00) 248: electro ( -0.085, -0.071, -0.064) ( -0.085, -0.071, -0.064) ( 0.00, 0.00, 0.00) 248: 12 (-21.260, -0.793, -2.235) (-21.252, -0.800, -2.173) ( 0.04, 0.56, 2.79) 250: vdw ( 0.436, 1.064, -0.784) ( 0.436, 1.064, -0.784) ( 0.00, 0.00, 0.00) 250: electro ( 0.078, -3.732, 1.907) ( 0.078, -3.732, 1.907) ( 0.00, 0.00, 0.00) 250: 18 ( 1.407, -7.885, -2.678) ( 1.645, -7.234, -2.828) (16.96, 8.25, 5.60) 250: bond ( 2.690, -5.259, -9.175) ( 2.694, -5.255, -9.171) ( 0.14, 0.07, 0.05) 250: angle ( 0.459, 8.749, 5.203) ( 0.461, 8.751, 5.206) ( 0.09, 0.02, 0.04) 250: strbnd ( 3.654, -2.284, -2.072) ( 3.653, -2.285, -2.073) ( 0.03, 0.02, 0.02) 250: torsion ( 2.895, -5.723, 2.052) ( 2.895, -5.723, 2.052) ( 0.00, 0.00, 0.00) 250: oop ( -1.124, -3.995, 0.695) ( -0.890, -3.350, 0.539) (20.81, 16.16, 10.85) 250: vdw ( 0.057, -1.642, 0.671) ( 0.057, -1.642, 0.671) ( 0.00, 0.00, 0.00) 250: electro ( -7.224, 2.269, -0.051) ( -7.224, 2.269, -0.051) ( 0.00, 0.00, 0.00) 250: 19 ( 0.014, -0.054, 0.035) ( 0.020, -0.048, 0.040) ( 0.01, 0.03, 0.02) 250: bond ( -4.572, 7.582, 9.251) ( -4.568, 7.586, 9.256) ( 0.10, 0.06, 0.05) 250: angle ( 4.311, -10.172, -3.123) ( 4.312, -10.170, -3.121) ( 0.04, 0.02, 0.06) 250: strbnd ( -2.161, 2.017, 1.879) ( -2.161, 2.016, 1.878) ( 0.02, 0.03, 0.04) 250: torsion ( -0.707, -0.056, -0.329) ( -0.707, -0.056, -0.328) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.144, 0.575, -7.644) ( 3.144, 0.575, -7.644) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( 0.055, 0.023, -0.083) ( 0.061, 0.028, -0.077) ( 0.03, 0.01, 0.05) 250: bond ( -7.858, -5.077, -5.109) ( -7.854, -5.072, -5.105) ( 0.05, 0.09, 0.09) 250: angle ( 6.358, 2.036, 6.266) ( 6.360, 2.038, 6.268) ( 0.03, 0.09, 0.03) 250: strbnd ( -2.171, -0.422, -1.231) ( -2.172, -0.423, -1.232) ( 0.04, 0.02, 0.05) 250: torsion ( 0.971, -0.883, -0.568) ( 0.971, -0.883, -0.568) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.756, 4.369, 0.559) ( 2.756, 4.369, 0.559) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 21 ( -0.137, -0.079, 0.370) ( -1.098, -0.257, 1.165) (13.13, 1.41, 29.42) 250: bond ( -7.303, 18.452, -4.755) ( -7.301, 18.461, -4.751) ( 0.03, 0.05, 0.10) 250: angle ( 11.493, -17.158, 1.980) ( 11.494, -17.156, 1.981) ( 0.01, 0.01, 0.07) 250: strbnd ( -4.739, 3.053, -5.420) ( -4.739, 3.052, -5.421) ( 0.01, 0.04, 0.02) 250: torsion ( -2.717, 0.003, 3.882) ( -2.716, 0.003, 3.882) ( 0.00, 0.00, 0.00) 250: oop ( 5.247, 1.013, -4.389) ( 4.282, 0.825, -3.599) (18.39, 18.57, 18.00) 250: vdw ( -2.898, -4.553, 6.605) ( -2.898, -4.553, 6.605) ( 0.00, 0.00, 0.00) 250: electro ( 0.780, -0.889, 2.467) ( 0.780, -0.889, 2.467) ( 0.00, 0.00, 0.00) 250: 22 ( -0.007, -0.027, 0.080) ( -0.006, -0.025, 0.082) ( 0.00, 0.00, 0.02) 250: bond ( 0.328, -2.247, -3.859) ( 0.328, -2.246, -3.857) ( 0.00, 0.04, 0.06) 250: angle ( -0.121, 1.446, -0.853) ( -0.120, 1.446, -0.853) ( 0.01, 0.03, 0.01) 250: strbnd ( 0.002, 0.481, 0.353) ( 0.002, 0.481, 0.353) ( 0.00, 0.00, 0.00) 250: torsion ( -2.347, -0.316, -0.016) ( -2.347, -0.316, -0.016) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.131, 0.609, 4.454) ( 2.131, 0.609, 4.454) ( 0.01, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( -0.191, -0.011, 0.189) ( 0.002, 0.035, 0.026) ( 3.69, 0.05, 3.08) 250: bond ( 2.346, -0.713, 2.597) ( 2.348, -0.708, 2.600) ( 0.09, 0.35, 0.10) 329/333 Test #248: origtest_ffmmff94_1 .................................................................................***Timeout 1500.03 sec # Testing MMFF94 Force Field... ok 1 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85) bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00) 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52) bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00) 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25) bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00) 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29) bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00) 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75) bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00) 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13) bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00) 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51) bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00) 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93) bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00) 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02) bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00) 10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31) bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00) 11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19) bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00) 12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51) bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00) 13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32) bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00) 14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04) bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00) 15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03) bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00) 16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13) bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00) 17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58) bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00) 18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48) bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00) 19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00) bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00) 20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94) bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00) 21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12) bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00) 22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01) bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00) 23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06) bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00) 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04) bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) electro ( 0.674, 0.126, 0.022) ( 0.674, 0.126, 0.022) ( 0.00, 0.00, 0.00) 36 ( -1.808, 0.308, -0.348) ( -1.805, 0.309, -0.348) ( 0.20, 0.02, 0.00) bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) electro ( 0.777, -0.150, 0.089) ( 0.777, -0.150, 0.089) ( 0.00, 0.00, 0.00) 37 ( -1.444, 1.619, -0.423) ( -1.443, 1.622, -0.422) ( 0.07, 0.20, 0.08) bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) electro ( -0.014, -0.594, 0.068) ( -0.014, -0.594, 0.068) ( 0.00, 0.00, 0.00) 38 ( 0.288, 1.218, -0.020) ( 0.290, 1.221, -0.017) ( 0.05, 0.25, 0.01) bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) electro ( -1.298, 1.817, -0.456) ( -1.298, 1.817, -0.456) ( 0.00, 0.00, 0.00) 39 ( 4.199, -12.580, 1.746) ( 4.207, -12.584, 1.687) ( 0.18, 0.03, 3.36) bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) electro ( -6.258, 3.484, -0.293) ( -6.258, 3.484, -0.293) ( 0.00, 0.00, 0.00) ok 2 # gradients ok 3 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 0.018, -0.341, -0.002) ( 0.027, -0.334, -0.000) ( 0.02, 0.23, 0.00) bond ( 5.237, 0.172, 1.390) ( 5.245, 0.178, 1.391) ( 0.15, 0.09, 0.04) angle ( -3.469, 1.277, -0.875) ( -3.468, 1.279, -0.875) ( 0.03, 0.14, 0.01) strbnd ( 1.478, 0.534, 0.407) ( 1.477, 0.533, 0.407) ( 0.04, 0.03, 0.00) torsion ( -0.001, -0.000, 0.002) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.604, -0.435, -0.173) ( -0.604, -0.435, -0.173) ( 0.00, 0.00, 0.00) electro ( -2.623, -1.889, -0.753) ( -2.623, -1.889, -0.753) ( 0.00, 0.00, 0.00) 2 ( -0.035, 0.614, -0.000) ( -0.026, 0.621, 0.002) ( 0.03, 0.42, 0.00) bond ( -4.097, 4.193, -0.946) ( -4.089, 4.199, -0.946) ( 0.20, 0.13, 0.06) angle ( 6.070, -3.235, 1.494) ( 6.071, -3.233, 1.494) ( 0.02, 0.06, 0.02) strbnd ( -2.009, -0.344, -0.542) ( -2.010, -0.344, -0.542) ( 0.03, 0.02, 0.00) torsion ( 0.001, 0.000, -0.005) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.001) ( 0.000, 0.000, -0.001) ( 0.00, 0.00, 0.00) vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( 0.063, 0.140, 0.024) ( 0.065, 0.142, 0.025) ( 0.01, 0.04, 0.00) bond ( 1.119, 1.704, 0.350) ( 1.120, 1.706, 0.350) ( 0.10, 0.15, 0.00) angle ( 1.146, -0.809, 0.277) ( 1.146, -0.809, 0.277) ( 0.03, 0.02, 0.00) strbnd ( -0.382, -0.759, -0.125) ( -0.382, -0.759, -0.125) ( 0.00, 0.00, 0.00) torsion ( -0.001, -0.000, 0.003) ( -0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) vdw ( -0.717, -0.020, -0.190) ( -0.717, -0.020, -0.190) ( 0.00, 0.00, 0.00) electro ( -1.101, 0.024, -0.290) ( -1.101, 0.024, -0.290) ( 0.00, 0.00, 0.00) 4 ( -0.062, 0.129, -0.016) ( -0.061, 0.132, -0.016) ( 0.01, 0.04, 0.00) bond ( 1.259, -2.407, 0.256) ( 1.260, -2.404, 0.256) ( 0.06, 0.12, 0.00) angle ( 2.423, 1.342, 0.683) ( 2.423, 1.343, 0.683) ( 0.02, 0.01, 0.00) strbnd ( -0.083, 0.405, -0.009) ( -0.083, 0.405, -0.009) ( 0.00, 0.00, 0.00) torsion ( 0.001, 0.000, -0.004) ( 0.001, 0.000, -0.004) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) vdw ( -2.868, -0.122, -0.761) ( -2.868, -0.122, -0.761) ( 0.00, 0.00, 0.00) electro ( -0.793, 0.911, -0.180) ( -0.793, 0.911, -0.180) ( 0.00, 0.00, 0.00) 5 ( 0.040, -0.110, 0.006) ( 0.041, -0.107, 0.006) ( 0.01, 0.03, 0.00) bond ( -0.396, 0.799, -0.079) ( -0.395, 0.802, -0.079) ( 0.03, 0.24, 0.00) angle ( -2.535, -1.318, -0.711) ( -2.535, -1.318, -0.711) ( 0.02, 0.01, 0.00) strbnd ( 0.514, -0.809, 0.110) ( 0.514, -0.809, 0.110) ( 0.00, 0.00, 0.00) torsion ( 0.000, 0.000, -0.002) ( 0.000, 0.000, -0.002) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.567, -0.187, 0.144) ( 0.567, -0.187, 0.144) ( 0.00, 0.00, 0.00) electro ( 1.889, 1.405, 0.544) ( 1.889, 1.405, 0.544) ( 0.00, 0.00, 0.00) 6 ( 0.390, -0.270, 0.111) ( 0.397, -0.259, 0.113) ( 0.24, 0.29, 0.02) bond ( -3.396, -4.839, -1.050) ( -3.390, -4.829, -1.049) ( 0.15, 0.21, 0.05) angle ( -3.250, 2.439, -0.769) ( -3.249, 2.440, -0.768) ( 0.03, 0.02, 0.06) strbnd ( 0.484, 0.974, 0.159) ( 0.484, 0.974, 0.159) ( 0.00, 0.00, 0.00) torsion ( -0.001, -0.000, 0.004) ( -0.001, -0.000, 0.004) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.977, 0.183, 0.792) ( 2.977, 0.183, 0.792) ( 0.00, 0.00, 0.00) electro ( 3.577, 0.972, 0.975) ( 3.577, 0.972, 0.975) ( 0.00, 0.00, 0.00) 7 ( -0.447, -0.202, -0.130) ( -0.443, -0.195, -0.129) ( 0.18, 0.16, 0.01) bond ( 0.245, 0.341, 0.076) ( 0.249, 0.348, 0.077) ( 0.10, 0.26, 0.00) angle ( -0.389, 0.299, -0.100) ( -0.389, 0.299, -0.099) ( 0.01, 0.00, 0.00) strbnd ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.646, 0.581, 0.189) ( 0.646, 0.581, 0.189) ( 0.00, 0.00, 0.00) electro ( -0.949, -1.423, -0.296) ( -0.949, -1.423, -0.296) ( 0.00, 0.00, 0.00) ok 4 # gradients ok 5 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -0.124, 0.344, -0.637) ( -0.119, 0.347, -0.633) ( 0.06, 0.09, 0.26) bond ( 4.786, 0.643, -1.120) ( 4.790, 0.648, -1.116) ( 0.08, 0.30, 0.40) angle ( -4.248, -1.205, 2.065) ( -4.246, -1.204, 2.067) ( 0.04, 0.13, 0.09) strbnd ( 1.309, 0.175, -0.296) ( 1.308, 0.175, -0.297) ( 0.05, 0.01, 0.02) torsion ( 0.038, -0.180, 0.270) ( 0.038, -0.180, 0.270) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.019, 0.011) ( -0.000, 0.016, 0.009) ( 0.00, 0.01, 0.00) vdw ( -0.992, 0.534, -0.937) ( -0.992, 0.534, -0.937) ( 0.00, 0.00, 0.00) electro ( -1.018, 0.358, -0.630) ( -1.018, 0.358, -0.630) ( 0.00, 0.00, 0.00) 2 ( 0.112, -0.042, 0.049) ( 0.120, -0.042, 0.054) ( 0.08, 0.00, 0.03) bond ( -6.313, 3.829, -6.633) ( -6.307, 3.832, -6.625) ( 0.09, 0.07, 0.12) angle ( 14.795, 1.490, -2.461) ( 14.798, 1.491, -2.460) ( 0.02, 0.05, 0.06) strbnd ( -8.362, -5.365, 9.214) ( -8.362, -5.366, 9.212) ( 0.01, 0.01, 0.02) torsion ( -0.008, -0.021, -0.086) ( -0.008, -0.021, -0.086) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.026, 0.015) ( 0.000, 0.022, 0.012) ( 0.00, 0.01, 0.00) vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( -0.084, -0.011, 0.022) ( -0.082, -0.014, 0.025) ( 0.02, 0.00, 0.01) bond ( -1.795, -1.762, 3.022) ( -1.793, -1.760, 3.028) ( 0.11, 0.11, 0.18) angle ( -8.883, 2.272, -3.938) ( -8.882, 2.272, -3.938) ( 0.01, 0.00, 0.00) strbnd ( 5.080, 5.487, -9.440) ( 5.080, 5.487, -9.440) ( 0.00, 0.00, 0.00) torsion ( 0.000, -0.052, -0.030) ( 0.000, -0.052, -0.030) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.025, 0.014) ( -0.000, 0.020, 0.012) ( 0.00, 0.01, 0.00) vdw ( 2.113, 0.148, -0.250) ( 2.113, 0.148, -0.250) ( 0.00, 0.00, 0.00) electro ( 3.400, -6.130, 10.644) ( 3.400, -6.130, 10.644) ( 0.00, 0.00, 0.00) 4 ( -0.053, -0.027, 0.018) ( -0.044, 0.028, 0.054) ( 0.05, 0.15, 0.06) bond ( 1.797, -0.285, 0.335) ( 1.804, -0.284, 0.341) ( 0.39, 0.05, 0.18) angle ( -6.314, 1.453, -2.828) ( -6.313, 1.453, -2.827) ( 0.03, 0.02, 0.04) strbnd ( 0.607, -1.012, 1.791) ( 0.607, -1.012, 1.791) ( 0.01, 0.01, 0.02) torsion ( 0.002, 0.484, 0.279) ( 0.002, 0.484, 0.279) ( 0.00, 0.02, 0.00) oop ( 0.001, -0.313, -0.179) ( 0.001, -0.260, -0.148) ( 0.00, 1.66, 0.54) vdw ( 3.855, -0.353, 0.619) ( 3.855, -0.353, 0.619) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 ( 0.018, 0.028, -0.035) ( 0.020, 0.006, -0.045) ( 0.00, 0.06, 0.03) bond ( -2.157, -2.229, 3.948) ( -2.156, -2.228, 3.951) ( 0.04, 0.04, 0.08) angle ( -0.484, 0.182, -0.161) ( -0.483, 0.182, -0.161) ( 0.03, 0.00, 0.00) strbnd ( 0.577, 0.505, -0.902) ( 0.577, 0.505, -0.902) ( 0.00, 0.00, 0.00) torsion ( -0.003, -0.213, -0.121) ( -0.003, -0.213, -0.121) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.125, 0.071) ( 0.000, 0.102, 0.058) ( 0.00, 0.29, 0.09) vdw ( 1.088, -0.556, 0.972) ( 1.088, -0.556, 0.972) ( 0.00, 0.00, 0.00) electro ( 0.996, 2.213, -3.840) ( 0.996, 2.213, -3.840) ( 0.00, 0.00, 0.00) 6 ( 0.021, 0.003, -0.007) ( 0.026, -0.014, -0.016) ( 0.01, 0.01, 0.01) bond ( 3.250, 0.122, -0.167) ( 3.255, 0.122, -0.167) ( 0.15, 0.00, 0.00) angle ( 0.458, -3.605, 6.307) ( 0.458, -3.605, 6.308) ( 0.00, 0.00, 0.01) strbnd ( -0.266, -0.042, 0.065) ( -0.266, -0.042, 0.065) ( 0.00, 0.00, 0.00) torsion ( 0.001, -0.156, -0.091) ( 0.001, -0.156, -0.091) ( 0.00, 0.00, 0.00) oop ( -0.001, 0.118, 0.067) ( -0.001, 0.101, 0.058) ( 0.00, 0.20, 0.07) vdw ( -0.044, 0.008, -0.015) ( -0.044, 0.008, -0.015) ( 0.00, 0.00, 0.00) electro ( -3.378, 3.559, -6.174) ( -3.378, 3.559, -6.174) ( 0.00, 0.00, 0.00) 7 ( -0.050, -0.182, 0.030) ( -0.049, -0.179, 0.030) ( 0.00, 0.06, 0.00) bond ( 0.021, 0.069, -0.002) ( 0.021, 0.073, -0.002) ( 0.00, 0.02, 0.00) angle ( 1.553, -0.437, 0.860) ( 1.553, -0.437, 0.860) ( 0.03, 0.00, 0.04) strbnd ( 0.368, 0.645, -0.047) ( 0.368, 0.645, -0.047) ( 0.00, 0.00, 0.00) torsion ( -0.015, 0.001, -0.149) ( -0.015, 0.001, -0.149) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.977, -0.460, -0.633) ( -1.977, -0.460, -0.633) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 8 ( -0.053, 0.067, 0.183) ( -0.052, 0.068, 0.186) ( 0.00, 0.01, 0.05) bond ( 0.017, -0.029, -0.055) ( 0.018, -0.028, -0.053) ( 0.00, 0.00, 0.01) angle ( 1.567, -0.533, 0.815) ( 1.568, -0.532, 0.815) ( 0.03, 0.02, 0.01) strbnd ( 0.370, -0.276, -0.582) ( 0.370, -0.276, -0.582) ( 0.00, 0.00, 0.00) torsion ( -0.016, 0.130, -0.075) ( -0.016, 0.130, -0.075) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.992, 0.775, 0.081) ( -1.992, 0.775, 0.081) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 9 ( 0.179, -0.202, 0.342) ( 0.180, -0.201, 0.344) ( 0.02, 0.02, 0.08) bond ( 0.367, -0.375, 0.641) ( 0.368, -0.374, 0.643) ( 0.02, 0.03, 0.13) angle ( 1.546, 0.380, -0.664) ( 1.547, 0.380, -0.664) ( 0.03, 0.01, 0.01) strbnd ( 0.317, -0.116, 0.199) ( 0.317, -0.116, 0.199) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.006, 0.003) ( -0.000, 0.006, 0.003) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.052, -0.097, 0.162) ( -2.052, -0.097, 0.162) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 6 # gradients ok 7 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 0.431, 0.382, 0.004) ( 0.436, 0.388, 0.009) ( 0.22, 0.23, 0.00) bond ( -4.893, 2.856, -3.005) ( -4.889, 2.861, -3.000) ( 0.09, 0.16, 0.15) angle ( 1.859, -4.639, 2.751) ( 1.861, -4.637, 2.752) ( 0.10, 0.04, 0.06) strbnd ( 0.352, -0.450, 0.642) ( 0.351, -0.450, 0.641) ( 0.05, 0.03, 0.04) torsion ( -0.296, -0.439, 0.009) ( -0.296, -0.439, 0.009) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 5.689, 2.322, 0.608) ( 5.689, 2.322, 0.608) ( 0.00, 0.00, 0.00) electro ( -2.279, 0.731, -1.001) ( -2.279, 0.731, -1.001) ( 0.00, 0.00, 0.00) 2 ( -0.776, -0.622, -0.218) ( -0.780, -0.606, -0.189) ( 0.23, 0.97, 0.62) bond ( 7.306, -2.470, 3.157) ( 7.312, -2.468, 3.158) ( 0.07, 0.08, 0.02) angle ( 2.892, 8.647, -4.003) ( 2.893, 8.648, -4.002) ( 0.01, 0.02, 0.01) strbnd (-10.808, -7.207, -0.152) (-10.809, -7.207, -0.152) ( 0.00, 0.00, 0.00) torsion ( -0.221, 0.486, 0.955) ( -0.221, 0.486, 0.955) ( 0.00, 0.00, 0.01) oop ( 0.054, -0.078, -0.175) ( 0.045, -0.066, -0.147) ( 0.04, 0.09, 0.48) vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( 0.077, -0.215, -0.263) ( 0.077, -0.212, -0.263) ( 0.01, 0.07, 0.02) bond ( 0.045, 0.977, 0.187) ( 0.045, 0.980, 0.187) ( 0.00, 0.32, 0.00) angle ( -5.704, 0.511, -1.299) ( -5.703, 0.511, -1.299) ( 0.01, 0.00, 0.04) strbnd ( -0.435, 0.449, -0.226) ( -0.435, 0.449, -0.226) ( 0.00, 0.00, 0.00) torsion ( -0.156, -0.037, 0.231) ( -0.156, -0.037, 0.231) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 6.326, -2.115, 0.844) ( 6.326, -2.115, 0.844) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 4 ( -0.154, -0.035, 0.283) ( -0.151, -0.034, 0.284) ( 0.04, 0.00, 0.03) bond ( -0.518, -0.212, 0.225) ( -0.515, -0.211, 0.226) ( 0.13, 0.01, 0.01) angle ( 0.309, -0.045, 0.666) ( 0.310, -0.044, 0.666) ( 0.01, 0.00, 0.03) strbnd ( -0.108, 0.417, -0.398) ( -0.108, 0.418, -0.398) ( 0.00, 0.00, 0.00) torsion ( -0.012, -0.211, -0.225) ( -0.012, -0.211, -0.225) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.175, 0.014, 0.016) ( 0.175, 0.014, 0.016) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 ( -0.220, -0.180, -0.107) ( -0.219, -0.179, -0.104) ( 0.01, 0.01, 0.04) bond ( 0.005, -0.076, -0.456) ( 0.005, -0.076, -0.453) ( 0.00, 0.00, 0.15) angle ( -1.188, -0.996, 0.154) ( -1.187, -0.996, 0.154) ( 0.05, 0.05, 0.00) strbnd ( -0.441, 0.249, -0.473) ( -0.441, 0.249, -0.473) ( 0.00, 0.00, 0.00) torsion ( 0.429, 0.568, -0.091) ( 0.429, 0.568, -0.091) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.975, 0.076, 0.758) ( 0.975, 0.076, 0.758) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 6 ( 0.815, 1.141, -0.215) ( 0.856, 1.101, -0.316) ( 3.35, 3.49, 2.17) bond ( -0.770, -0.798, 0.110) ( -0.761, -0.793, 0.112) ( 0.74, 0.41, 0.02) angle ( -6.533, -4.058, -0.587) ( -6.531, -4.056, -0.587) ( 0.02, 0.05, 0.02) strbnd ( 13.048, 4.199, 2.149) ( 13.046, 4.199, 2.149) ( 0.02, 0.01, 0.01) torsion ( 0.259, -0.370, -0.890) ( 0.259, -0.370, -0.889) ( 0.00, 0.00, 0.01) oop ( -0.183, 0.268, 0.599) ( -0.151, 0.221, 0.495) ( 0.59, 1.25, 6.20) vdw ( -5.005, 1.900, -1.595) ( -5.005, 1.900, -1.595) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 7 ( -0.169, -0.110, -0.044) ( -0.176, -0.088, 0.004) ( 0.13, 0.25, 0.21) bond ( -1.232, 0.565, -0.626) ( -1.226, 0.566, -0.625) ( 0.52, 0.08, 0.10) angle ( -0.414, -0.699, 0.179) ( -0.414, -0.698, 0.179) ( 0.01, 0.04, 0.00) strbnd ( -1.351, 0.487, -0.628) ( -1.351, 0.487, -0.628) ( 0.01, 0.00, 0.00) torsion ( -0.063, 0.092, 0.208) ( -0.063, 0.092, 0.208) ( 0.00, 0.00, 0.00) oop ( 0.065, -0.095, -0.213) ( 0.051, -0.074, -0.167) ( 0.09, 0.19, 0.98) vdw ( -0.079, 0.007, -0.027) ( -0.079, 0.007, -0.027) ( 0.00, 0.00, 0.00) electro ( 2.906, -0.466, 1.064) ( 2.906, -0.466, 1.064) ( 0.00, 0.00, 0.00) 8 ( -0.035, -0.388, 0.541) ( -0.043, -0.371, 0.574) ( 0.03, 0.66, 1.76) bond ( 0.028, -0.862, 0.394) ( 0.028, -0.860, 0.395) ( 0.00, 0.24, 0.02) angle ( 8.772, 1.272, 2.136) ( 8.772, 1.272, 2.136) ( 0.01, 0.00, 0.00) strbnd ( -0.253, 1.856, -0.912) ( -0.253, 1.856, -0.912) ( 0.00, 0.00, 0.00) torsion ( 0.061, -0.089, -0.197) ( 0.061, -0.089, -0.197) ( 0.00, 0.00, 0.00) oop ( 0.065, -0.096, -0.213) ( 0.055, -0.081, -0.181) ( 0.06, 0.14, 0.68) vdw ( -8.081, -2.204, -0.604) ( -8.081, -2.204, -0.604) ( 0.00, 0.00, 0.00) electro ( -0.627, -0.265, -0.063) ( -0.627, -0.265, -0.063) ( 0.00, 0.00, 0.00) ok 8 # gradients ok 9 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 6.021, -8.841, 15.336) ( 6.025, -8.837, 15.339) ( 0.07, 0.04, 0.02) bond ( 13.697, -19.381, 33.622) ( 13.700, -19.379, 33.624) ( 0.02, 0.02, 0.01) angle ( -4.188, 5.759, -9.944) ( -4.187, 5.761, -9.942) ( 0.03, 0.02, 0.02) strbnd ( -3.294, 4.646, -8.104) ( -3.295, 4.645, -8.105) ( 0.02, 0.01, 0.01) torsion ( -0.194, 0.135, -0.238) ( -0.194, 0.135, -0.238) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 2 ( -9.933, -2.704, 4.639) ( -9.929, -2.699, 4.644) ( 0.04, 0.19, 0.11) bond (-13.151, 0.001, 0.002) (-13.148, 0.005, 0.006) ( 0.03, 0.00, 0.00) angle ( -5.431, -2.186, 3.739) ( -5.429, -2.184, 3.741) ( 0.03, 0.08, 0.04) strbnd ( 4.098, -2.031, 3.530) ( 4.097, -2.031, 3.529) ( 0.04, 0.02, 0.01) torsion ( 0.000, 0.166, -0.285) ( 0.000, 0.166, -0.285) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( 3.813, 8.396, 5.795) ( 3.819, 8.400, 5.800) ( 0.14, 0.05, 0.09) bond ( 4.362, 12.392, -0.017) ( 4.366, 12.395, -0.013) ( 0.09, 0.03, 0.01) angle ( 3.888, 4.351, 3.744) ( 3.890, 4.353, 3.746) ( 0.05, 0.04, 0.04) strbnd ( 0.568, -4.531, 3.529) ( 0.568, -4.532, 3.529) ( 0.03, 0.03, 0.01) torsion ( 0.479, -0.170, 0.882) ( 0.479, -0.170, 0.882) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 4 ( 3.726, -9.185, -4.409) ( 3.731, -9.180, -4.405) ( 0.14, 0.05, 0.09) bond ( 4.377, -6.197, -10.754) ( 4.381, -6.194, -10.751) ( 0.09, 0.06, 0.03) angle ( 3.836, -5.397, -1.958) ( 3.837, -5.396, -1.956) ( 0.05, 0.03, 0.09) strbnd ( 0.555, -0.774, 5.727) ( 0.555, -0.774, 5.725) ( 0.03, 0.04, 0.02) torsion ( 0.478, -0.675, 0.585) ( 0.478, -0.675, 0.585) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 ( -2.313, 28.066, 0.105) ( -2.312, 28.068, 0.106) ( 0.04, 0.01, 0.01) bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) angle ( 1.760, 0.623, -0.007) ( 1.760, 0.623, -0.006) ( 0.03, 0.00, 0.00) strbnd ( -1.908, -0.349, 0.000) ( -1.908, -0.349, 0.000) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, 0.152) ( 0.000, 0.000, 0.152) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 6 ( -9.233, -13.275, 23.034) ( -9.232, -13.274, 23.036) ( 0.01, 0.01, 0.01) bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) angle ( 1.828, -0.303, 0.571) ( 1.829, -0.302, 0.572) ( 0.02, 0.01, 0.01) strbnd ( -1.910, 0.171, -0.295) ( -1.910, 0.171, -0.295) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 7 ( -2.162, -14.129, -24.316) ( -2.161, -14.129, -24.314) ( 0.04, 0.01, 0.01) bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) angle ( 1.840, -0.299, -0.578) ( 1.840, -0.299, -0.578) ( 0.02, 0.01, 0.01) strbnd ( -1.909, 0.172, 0.297) ( -1.909, 0.172, 0.297) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.133, 0.077) ( 0.000, -0.133, 0.077) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 8 ( 27.568, -1.841, -1.569) ( 27.570, -1.840, -1.569) ( 0.01, 0.04, 0.04) bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) angle ( 0.000, -1.856, -0.010) ( 0.000, -1.856, -0.009) ( 0.00, 0.03, 0.00) strbnd ( 0.304, 1.915, -0.000) ( 0.304, 1.915, -0.000) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.469) ( 0.000, 0.000, -0.469) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 9 (-11.584, 11.851, 21.981) (-11.583, 11.852, 21.983) ( 0.01, 0.01, 0.01) bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) angle ( -0.885, -1.619, 0.574) ( -0.885, -1.619, 0.574) ( 0.03, 0.02, 0.01) strbnd ( 0.798, 1.743, -0.296) ( 0.798, 1.743, -0.296) ( 0.00, 0.00, 0.00) torsion ( -0.382, 0.135, -0.234) ( -0.382, 0.135, -0.234) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 10 (-10.930, 9.420, -22.678) (-10.929, 9.421, -22.676) ( 0.01, 0.01, 0.01) bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) angle ( -0.882, -1.631, -0.581) ( -0.882, -1.630, -0.581) ( 0.03, 0.02, 0.01) strbnd ( 0.799, 1.742, 0.299) ( 0.799, 1.742, 0.299) ( 0.00, 0.00, 0.00) torsion ( 0.001, -0.000, -0.001) ( 0.001, -0.000, -0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 11 ( 27.570, 2.262, 0.809) ( 27.573, 2.263, 0.809) ( 0.01, 0.03, 0.05) bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) angle ( 0.001, 0.926, 1.618) ( 0.001, 0.926, 1.618) ( 0.00, 0.04, 0.03) strbnd ( 0.305, -0.958, -1.660) ( 0.305, -0.958, -1.660) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.407, -0.235) ( -0.000, 0.407, -0.235) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 12 (-10.972, 14.917, -19.519) (-10.971, 14.918, -19.517) ( 0.01, 0.01, 0.01) bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) angle ( -0.889, 1.308, 1.118) ( -0.889, 1.309, 1.119) ( 0.03, 0.03, 0.02) strbnd ( 0.798, -1.129, -1.364) ( 0.798, -1.129, -1.364) ( 0.00, 0.00, 0.00) torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 (-11.601, -24.965, 0.763) (-11.600, -24.963, 0.763) ( 0.01, 0.01, 0.05) bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) angle ( -0.888, 0.315, 1.704) ( -0.887, 0.315, 1.705) ( 0.03, 0.00, 0.03) strbnd ( 0.799, -0.614, -1.659) ( 0.799, -0.614, -1.659) ( 0.00, 0.00, 0.00) torsion ( -0.381, 0.135, -0.233) ( -0.381, 0.135, -0.233) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 10 # gradients ok 11 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 (-94.849, 134.077, -232.261) (-94.840, 134.085, -232.257) ( 0.01, 0.01, 0.00) bond (-98.615, 139.541, -241.698) (-98.607, 139.548, -241.694) ( 0.01, 0.01, 0.00) angle (-17.077, 24.042, -41.606) (-17.076, 24.043, -41.605) ( 0.01, 0.00, 0.00) strbnd ( 20.845, -29.505, 51.044) ( 20.845, -29.506, 51.044) ( 0.00, 0.00, 0.00) torsion ( -0.002, -0.001, -0.002) ( -0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 2 (267.229, 1.097, -1.985) (267.239, 1.101, -1.981) ( 0.00, 0.37, 0.20) bond (324.092, 0.002, 0.003) (324.102, 0.005, 0.006) ( 0.00, 0.00, 0.00) angle ( -7.067, -9.049, 15.613) ( -7.066, -9.047, 15.614) ( 0.02, 0.02, 0.01) strbnd (-54.347, 8.796, -15.254) (-54.349, 8.796, -15.255) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.001, -0.000) ( 0.000, 0.001, -0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 (-92.994, -251.370, -1.993) (-92.989, -251.361, -1.989) ( 0.01, 0.00, 0.20) bond (-108.221, -305.529, -0.016) (-108.218, -305.520, -0.013) ( 0.00, 0.00, 0.00) angle ( 10.871, 3.619, 15.618) ( 10.872, 3.621, 15.619) ( 0.01, 0.04, 0.01) strbnd ( 9.840, 54.186, -15.254) ( 9.840, 54.184, -15.254) ( 0.00, 0.00, 0.00) torsion ( 0.001, -0.000, 0.003) ( 0.001, -0.000, 0.003) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.484, -3.646, -2.343) ( -5.484, -3.646, -2.343) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 4 (-92.879, 127.455, 216.653) (-92.874, 127.461, 216.661) ( 0.01, 0.00, 0.00) bond (-107.982, 152.791, 264.561) (-107.978, 152.795, 264.568) ( 0.00, 0.00, 0.00) angle ( 10.825, -15.317, 4.617) ( 10.827, -15.315, 4.619) ( 0.01, 0.01, 0.03) strbnd ( 9.798, -13.878, -54.515) ( 9.798, -13.878, -54.516) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.520, 3.858, 1.991) ( -5.520, 3.858, 1.991) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 ( 14.020, 33.684, -0.046) ( 14.021, 33.686, -0.046) ( 0.01, 0.01, 0.00) bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00) angle ( 2.316, 0.820, -0.007) ( 2.316, 0.820, -0.006) ( 0.02, 0.00, 0.00) strbnd ( 13.869, 5.072, 0.000) ( 13.869, 5.072, 0.000) ( 0.00, 0.00, 0.00) torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 6 ( 7.090, -16.075, 27.884) ( 7.091, -16.074, 27.886) ( 0.01, 0.01, 0.01) bond ( -9.334, -13.210, 22.872) ( -9.334, -13.209, 22.874) ( 0.00, 0.01, 0.01) angle ( 2.371, -0.399, 0.737) ( 2.371, -0.398, 0.737) ( 0.02, 0.01, 0.01) strbnd ( 13.871, -2.534, 4.389) ( 13.871, -2.534, 4.389) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.183, 0.066, -0.115) ( 0.183, 0.066, -0.115) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 7 ( 14.159, -16.794, -29.238) ( 14.160, -16.793, -29.236) ( 0.01, 0.01, 0.01) bond ( -9.329, -13.205, -22.882) ( -9.329, -13.205, -22.880) ( 0.00, 0.01, 0.01) angle ( 2.378, -0.394, -0.743) ( 2.378, -0.394, -0.742) ( 0.02, 0.01, 0.01) strbnd ( 13.873, -2.530, -4.384) ( 13.873, -2.530, -4.384) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.001, 0.000) ( 0.000, -0.001, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.238, -0.665, -1.230) ( 7.238, -0.665, -1.230) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 8 ( 27.412, -19.113, -1.101) ( 27.414, -19.112, -1.100) ( 0.01, 0.00, 0.05) bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00) angle ( -0.000, -2.447, -0.010) ( 0.000, -2.447, -0.009) ( 0.00, 0.02, 0.00) strbnd ( 0.148, -14.767, -0.000) ( 0.148, -14.767, -0.000) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 9 (-19.291, -2.738, 27.067) (-19.291, -2.737, 27.069) ( 0.00, 0.04, 0.01) bond ( -9.334, 13.208, 22.872) ( -9.334, 13.209, 22.874) ( 0.00, 0.01, 0.01) angle ( -1.157, -2.100, 0.740) ( -1.157, -2.099, 0.740) ( 0.03, 0.02, 0.01) strbnd ( -7.020, -12.229, 4.389) ( -7.020, -12.229, 4.389) ( 0.00, 0.00, 0.00) torsion ( 0.000, -0.000, 0.000) ( 0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.780, -1.617, -0.934) ( -1.780, -1.617, -0.934) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 10 (-19.016, -5.032, -27.526) (-19.015, -5.031, -27.524) ( 0.00, 0.02, 0.01) bond ( -9.322, 13.191, -22.863) ( -9.321, 13.191, -22.861) ( 0.00, 0.01, 0.01) angle ( -1.152, -2.108, -0.747) ( -1.152, -2.107, -0.746) ( 0.03, 0.02, 0.01) strbnd ( -7.016, -12.234, -4.385) ( -7.016, -12.234, -4.385) ( 0.00, 0.00, 0.00) torsion ( 0.001, -0.000, -0.000) ( 0.001, -0.000, -0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.527, -3.881, 0.468) ( -1.527, -3.881, 0.468) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 11 ( 27.424, 10.493, 15.999) ( 27.427, 10.494, 16.000) ( 0.01, 0.01, 0.00) bond ( 28.025, -0.007, -0.015) ( 28.028, -0.007, -0.015) ( 0.01, 0.00, 0.00) angle ( 0.001, 1.221, 2.128) ( 0.001, 1.221, 2.129) ( 0.00, 0.03, 0.02) strbnd ( 0.159, 7.384, 12.785) ( 0.159, 7.384, 12.785) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.001, -0.001) ( -0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.761, 1.895, 1.101) ( -0.761, 1.895, 1.101) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 12 (-19.052, 26.348, -9.424) (-19.051, 26.349, -9.422) ( 0.00, 0.00, 0.02) bond ( -9.344, 13.207, -22.875) ( -9.344, 13.208, -22.874) ( 0.00, 0.01, 0.01) angle ( -1.160, 1.692, 1.451) ( -1.160, 1.692, 1.451) ( 0.03, 0.02, 0.01) strbnd ( -7.010, 9.918, 8.398) ( -7.010, 9.918, 8.398) ( 0.00, 0.00, 0.00) torsion ( -0.001, -0.001, 0.000) ( -0.001, -0.001, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.536, 1.532, 3.602) ( -1.536, 1.532, 3.602) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 (-19.294, -22.069, 15.940) (-19.293, -22.066, 15.940) ( 0.00, 0.01, 0.00) bond ( -9.343, -26.426, 0.015) ( -9.342, -26.424, 0.015) ( 0.00, 0.01, 0.00) angle ( -1.157, 0.410, 2.200) ( -1.157, 0.410, 2.200) ( 0.03, 0.00, 0.02) strbnd ( -7.007, 2.322, 12.788) ( -7.007, 2.322, 12.788) ( 0.00, 0.00, 0.00) torsion ( 0.002, -0.001, 0.001) ( 0.002, -0.001, 0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.789, 1.626, 0.936) ( -1.789, 1.626, 0.936) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 12 # gradients ok 13 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 0.188, -0.341, -0.447) ( 0.196, -0.337, -0.439) ( 0.15, 0.15, 0.35) bond ( 12.215, -2.444, -2.026) ( 12.221, -2.440, -2.025) ( 0.05, 0.20, 0.04) angle ( 1.031, 1.567, 0.419) ( 1.033, 1.568, 0.419) ( 0.17, 0.09, 0.01) strbnd ( -0.276, 0.595, 0.200) ( -0.276, 0.595, 0.200) ( 0.00, 0.01, 0.00) torsion ( 0.026, -0.060, 0.134) ( 0.026, -0.060, 0.135) ( 0.00, 0.00, 0.02) oop ( -0.003, 0.011, -0.034) ( -0.003, 0.009, -0.028) ( 0.00, 0.00, 0.02) vdw (-13.301, 0.238, 1.219) (-13.301, 0.238, 1.219) ( 0.00, 0.00, 0.00) electro ( 0.497, -0.246, -0.360) ( 0.497, -0.246, -0.360) ( 0.00, 0.00, 0.00) 2 ( 0.154, -0.533, 0.257) ( 0.159, -0.515, 0.227) ( 0.07, 0.95, 0.78) bond ( 8.668, -9.202, -3.657) ( 8.674, -9.197, -3.657) ( 0.06, 0.06, 0.02) angle ( 1.060, -2.236, -0.846) ( 1.061, -2.234, -0.846) ( 0.15, 0.07, 0.02) strbnd ( -2.306, -0.145, 0.209) ( -2.306, -0.145, 0.209) ( 0.01, 0.00, 0.00) torsion ( -0.009, -0.028, 0.128) ( -0.009, -0.028, 0.129) ( 0.00, 0.00, 0.02) oop ( 0.014, -0.067, 0.198) ( 0.012, -0.056, 0.166) ( 0.00, 0.08, 0.65) vdw ( -6.352, 11.522, 4.701) ( -6.352, 11.522, 4.701) ( 0.00, 0.00, 0.00) electro ( -0.922, -0.376, -0.475) ( -0.922, -0.376, -0.475) ( 0.00, 0.00, 0.00) 3 ( -0.038, -0.435, 0.232) ( -0.028, -0.444, 0.280) ( 0.04, 0.40, 1.12) bond ( -6.462, -14.039, -4.598) ( -6.457, -14.034, -4.597) ( 0.08, 0.04, 0.02) angle ( 4.729, 7.796, 2.474) ( 4.731, 7.798, 2.474) ( 0.04, 0.02, 0.01) strbnd ( 3.737, -3.706, -1.522) ( 3.737, -3.707, -1.522) ( 0.00, 0.00, 0.00) torsion ( 0.300, -2.114, 5.663) ( 0.300, -2.114, 5.664) ( 0.00, 0.01, 0.02) oop ( -0.022, 0.095, -0.277) ( -0.019, 0.079, -0.231) ( 0.01, 0.15, 1.28) vdw ( -2.173, 13.069, 0.311) ( -2.172, 13.069, 0.311) ( 0.01, 0.00, 0.00) electro ( -0.148, -1.535, -1.819) ( -0.148, -1.535, -1.819) ( 0.00, 0.00, 0.00) 4 ( 0.395, 0.197, 0.303) ( 0.400, 0.409, 0.172) ( 0.21, 4.17, 3.96) bond ( -4.734, 2.347, 1.095) ( -4.729, 2.352, 1.096) ( 0.11, 0.20, 0.07) angle (-10.062, -2.611, 4.140) (-10.060, -2.609, 4.140) ( 0.02, 0.07, 0.01) strbnd ( 3.811, 0.602, 0.274) ( 3.811, 0.601, 0.274) ( 0.00, 0.01, 0.00) torsion ( -0.109, 2.386, -1.969) ( -0.109, 2.387, -1.968) ( 0.00, 0.01, 0.06) oop ( 0.013, -1.116, 0.755) ( 0.011, -0.910, 0.622) ( 0.00, 18.44, 10.07) vdw ( 9.138, -2.304, -5.262) ( 9.139, -2.304, -5.262) ( 0.00, 0.00, 0.00) electro ( 2.337, 0.892, 1.269) ( 2.337, 0.892, 1.269) ( 0.00, 0.00, 0.00) 5 ( 0.329, -0.092, -0.786) ( 0.325, -0.035, -0.926) ( 0.14, 0.53, 10.94) bond ( -9.877, 12.321, 6.024) ( -9.872, 12.326, 6.025) ( 0.05, 0.04, 0.01) angle ( 0.777, -3.545, -1.191) ( 0.779, -3.544, -1.191) ( 0.13, 0.04, 0.02) strbnd ( 3.218, 2.140, 0.609) ( 3.218, 2.140, 0.609) ( 0.01, 0.01, 0.00) torsion ( 0.010, 0.739, -2.169) ( 0.010, 0.739, -2.168) ( 0.00, 0.01, 0.06) oop ( 0.069, -0.304, 0.854) ( 0.058, -0.253, 0.713) ( 0.08, 1.53, 12.07) vdw ( 4.433, -11.904, -4.594) ( 4.433, -11.904, -4.594) ( 0.00, 0.00, 0.00) electro ( 1.700, 0.460, -0.319) ( 1.700, 0.460, -0.319) ( 0.00, 0.00, 0.00) 6 ( 0.290, 0.013, -0.920) ( 0.298, 0.013, -0.902) ( 0.24, 0.00, 1.63) bond ( 10.935, 11.123, 2.675) ( 10.940, 11.128, 2.676) ( 0.05, 0.04, 0.03) angle ( -1.841, 0.246, 0.285) ( -1.839, 0.247, 0.285) ( 0.09, 0.04, 0.01) strbnd ( -0.658, 0.437, 0.063) ( -0.658, 0.437, 0.063) ( 0.01, 0.01, 0.00) torsion ( -0.004, 0.151, -0.129) ( -0.004, 0.151, -0.128) ( 0.00, 0.00, 0.02) oop ( -0.010, 0.040, -0.102) ( -0.008, 0.034, -0.087) ( 0.00, 0.03, 0.16) vdw ( -7.809, -11.860, -3.494) ( -7.809, -11.860, -3.494) ( 0.00, 0.00, 0.00) electro ( -0.323, -0.125, -0.217) ( -0.323, -0.125, -0.217) ( 0.00, 0.00, 0.00) 7 ( -0.284, -0.843, -2.698) ( -0.304, -1.685, -2.039) ( 0.58, 70.96, 24.42) bond ( -8.014, 7.203, 10.301) ( -8.008, 7.206, 10.304) ( 0.07, 0.04, 0.04) angle ( 23.571, -6.002, -12.520) ( 23.573, -6.000, -12.519) ( 0.01, 0.02, 0.01) strbnd ( -5.963, 1.001, 0.741) ( -5.964, 1.001, 0.741) ( 0.01, 0.02, 0.02) torsion ( -2.504, -12.743, 5.344) ( -2.504, -12.742, 5.344) ( 0.00, 0.00, 0.01) oop ( 0.288, 5.178, -4.155) ( 0.261, 4.331, -3.501) ( 0.80, 16.35, 15.74) vdw ( -1.708, 5.497, -2.750) ( -1.708, 5.497, -2.750) ( 0.01, 0.00, 0.00) electro ( -5.954, -0.978, 0.342) ( -5.954, -0.978, 0.342) ( 0.00, 0.00, 0.00) 8 ( -2.332, 4.648, 9.846) ( -2.311, 5.541, 9.465) ( 0.92, 19.20, 3.87) bond ( 7.906, 3.155, 6.283) ( 7.911, 3.158, 6.291) ( 0.07, 0.08, 0.13) angle (-11.927, 11.968, 23.696) (-11.925, 11.969, 23.697) ( 0.02, 0.01, 0.01) strbnd ( -0.172, -3.227, -7.634) ( -0.173, -3.227, -7.635) ( 0.02, 0.01, 0.01) torsion ( -1.724, 6.797, -17.832) ( -1.724, 6.797, -17.832) ( 0.00, 0.01, 0.00) oop ( -0.107, -5.155, 2.589) ( -0.093, -4.267, 2.199) ( 0.16, 17.23, 15.06) vdw ( 4.239, -5.387, 2.000) ( 4.239, -5.387, 2.000) ( 0.00, 0.00, 0.00) electro ( -0.546, -3.502, 0.745) ( -0.546, -3.502, 0.745) ( 0.00, 0.00, 0.00) 9 ( 2.586, -3.839, -7.626) ( 2.603, -4.121, -7.463) ( 0.65, 7.34, 2.13) bond ( 6.677, -9.432, -17.814) ( 6.678, -9.430, -17.808) ( 0.01, 0.02, 0.03) angle ( -3.223, -0.345, -1.026) ( -3.222, -0.345, -1.026) ( 0.03, 0.00, 0.01) strbnd ( -3.032, 4.056, 7.810) ( -3.032, 4.056, 7.810) ( 0.01, 0.00, 0.00) torsion ( -0.306, 6.009, -3.297) ( -0.306, 6.009, -3.297) ( 0.00, 0.00, 0.00) oop ( -0.071, 1.455, -0.797) ( -0.056, 1.171, -0.641) ( 0.11, 19.52, 12.44) vdw ( 7.280, -5.048, 11.866) ( 7.280, -5.048, 11.866) ( 0.00, 0.00, 0.00) electro ( -4.739, -0.534, -4.368) ( -4.739, -0.534, -4.368) ( 0.00, 0.00, 0.00) 10 ( 1.000, -0.547, -0.386) ( 0.966, -0.774, -0.726) ( 3.43, 12.41, 13.13) bond ( 9.695, 23.920, -3.884) ( 9.701, 23.924, -3.884) ( 0.06, 0.02, 0.01) angle (-15.143, -13.685, -10.389) (-15.141, -13.683, -10.388) ( 0.01, 0.01, 0.01) strbnd ( 1.542, -11.914, 0.169) ( 1.542, -11.915, 0.169) ( 0.03, 0.01, 0.00) torsion ( 1.960, -0.605, 10.880) ( 1.960, -0.605, 10.881) ( 0.00, 0.01, 0.01) oop ( 0.202, 1.528, 1.715) ( 0.161, 1.295, 1.373) ( 0.83, 15.24, 19.96) vdw ( 3.415, 0.682, 1.760) ( 3.415, 0.682, 1.760) ( 0.00, 0.01, 0.00) electro ( -0.671, -0.472, -0.637) ( -0.671, -0.472, -0.637) ( 0.00, 0.00, 0.00) 11 ( -0.171, -0.241, -0.542) ( -0.163, -0.080, 0.005) ( 0.12, 3.88, 29.65) bond (-13.094, -5.115, -0.788) (-13.089, -5.111, -0.787) ( 0.04, 0.09, 0.05) angle ( -2.503, 4.242, 11.159) ( -2.501, 4.244, 11.160) ( 0.09, 0.05, 0.00) strbnd ( 10.155, 7.918, -0.812) ( 10.154, 7.917, -0.812) ( 0.01, 0.01, 0.01) torsion ( 1.046, -1.903, -2.449) ( 1.046, -1.903, -2.448) ( 0.00, 0.00, 0.02) oop ( -0.039, -0.779, -2.945) ( -0.038, -0.624, -2.400) ( 0.00, 12.08, 18.52) vdw ( -0.018, -4.278, -1.767) ( -0.018, -4.278, -1.767) ( 0.00, 0.00, 0.00) electro ( 4.282, -0.325, -2.941) ( 4.282, -0.325, -2.941) ( 0.00, 0.00, 0.00) 12 ( 0.049, -0.113, -0.121) ( 0.055, -0.145, -0.246) ( 0.03, 0.36, 1.51) bond ( -6.964, 10.847, -2.041) ( -6.957, 10.853, -2.041) ( 0.09, 0.05, 0.02) angle ( 3.466, -18.735, 1.444) ( 3.468, -18.732, 1.444) ( 0.06, 0.01, 0.03) strbnd ( 5.241, 10.045, -1.635) ( 5.240, 10.043, -1.635) ( 0.02, 0.01, 0.00) torsion ( -0.277, -0.199, 0.243) ( -0.277, -0.199, 0.244) ( 0.00, 0.00, 0.02) oop ( -0.002, 0.243, 0.879) ( -0.003, 0.205, 0.753) ( 0.00, 0.94, 11.08) vdw ( -1.680, -2.461, 0.754) ( -1.680, -2.461, 0.754) ( 0.00, 0.00, 0.00) electro ( 0.266, 0.147, 0.236) ( 0.266, 0.147, 0.236) ( 0.00, 0.00, 0.00) 13 ( -1.916, 4.711, -0.986) ( -1.911, 4.727, -0.929) ( 0.21, 0.35, 5.65) bond ( -0.615, 7.046, -1.142) ( -0.607, 7.052, -1.141) ( 0.46, 0.08, 0.02) angle ( 9.671, -9.830, 1.897) ( 9.673, -9.828, 1.897) ( 0.02, 0.02, 0.00) strbnd ( 1.450, -2.787, 0.428) ( 1.450, -2.788, 0.428) ( 0.05, 0.05, 0.00) torsion ( -0.027, 0.521, -1.869) ( -0.027, 0.521, -1.868) ( 0.00, 0.00, 0.05) oop ( 0.024, -0.050, -0.214) ( 0.019, -0.041, -0.158) ( 0.01, 0.05, 1.20) vdw (-11.109, 9.890, 1.556) (-11.109, 9.890, 1.556) ( 0.00, 0.00, 0.00) electro ( -1.309, -0.078, -1.642) ( -1.309, -0.078, -1.642) ( 0.00, 0.00, 0.00) 14 ( 6.713, -5.411, 0.328) ( 6.722, -5.394, 0.357) ( 0.13, 0.31, 0.96) bond (-12.462, -21.961, 0.624) (-12.457, -21.955, 0.624) ( 0.04, 0.02, 0.01) angle ( 21.478, 16.756, -1.059) ( 21.481, 16.758, -1.059) ( 0.01, 0.01, 0.00) strbnd ( -5.263, -1.582, -0.270) ( -5.263, -1.582, -0.270) ( 0.01, 0.03, 0.00) torsion ( -0.035, -0.626, 1.222) ( -0.035, -0.626, 1.223) ( 0.00, 0.00, 0.11) oop ( 0.004, -0.049, -0.081) ( 0.005, -0.039, -0.053) ( 0.00, 0.05, 0.23) vdw ( 2.604, 2.443, 0.387) ( 2.604, 2.443, 0.387) ( 0.00, 0.00, 0.00) electro ( 0.386, -0.392, -0.495) ( 0.386, -0.392, -0.495) ( 0.00, 0.00, 0.00) 15 ( -5.129, 0.613, -0.625) ( -5.079, 0.616, -0.328) ( 0.97, 0.16, 18.57) bond ( 11.061, 5.919, -3.067) ( 11.066, 5.923, -3.067) ( 0.04, 0.08, 0.01) angle (-12.299, -15.141, -0.481) (-12.297, -15.140, -0.481) ( 0.02, 0.01, 0.00) strbnd ( -3.290, 0.620, 0.718) ( -3.290, 0.620, 0.718) ( 0.00, 0.01, 0.00) torsion ( -0.712, -0.073, 3.004) ( -0.712, -0.073, 3.005) ( 0.00, 0.00, 0.05) oop ( -0.261, 0.034, -1.913) ( -0.218, 0.030, -1.617) ( 1.11, 0.01, 15.44) vdw ( 0.370, 9.262, 0.830) ( 0.370, 9.262, 0.830) ( 0.00, 0.00, 0.00) electro ( 0.002, -0.007, 0.283) ( 0.002, -0.007, 0.283) ( 0.00, 0.00, 0.00) 16 ( -0.296, 0.185, 0.933) ( -0.303, 0.195, 0.800) ( 0.21, 0.19, 12.45) bond ( 14.452, -16.403, -3.890) ( 14.458, -16.398, -3.890) ( 0.04, 0.03, 0.01) angle (-10.953, 5.321, 1.176) (-10.951, 5.322, 1.176) ( 0.02, 0.03, 0.00) strbnd ( 6.693, 8.480, -0.639) ( 6.693, 8.479, -0.639) ( 0.00, 0.00, 0.00) torsion ( 0.233, -0.130, 1.677) ( 0.233, -0.130, 1.679) ( 0.00, 0.00, 0.08) oop ( 0.089, -0.027, 0.816) ( 0.074, -0.024, 0.681) ( 0.13, 0.01, 11.01) vdw (-10.495, 2.954, 2.887) (-10.495, 2.954, 2.887) ( 0.00, 0.01, 0.00) electro ( -0.314, -0.010, -1.094) ( -0.314, -0.010, -1.094) ( 0.00, 0.00, 0.00) 17 ( -0.587, 0.280, 1.052) ( -0.579, 0.286, 1.057) ( 0.46, 0.17, 0.47) bond ( 11.943, 13.623, 0.244) ( 11.949, 13.628, 0.244) ( 0.05, 0.04, 0.01) angle ( 1.276, -3.469, -0.726) ( 1.277, -3.467, -0.726) ( 0.13, 0.05, 0.00) strbnd ( 0.726, -3.329, -0.300) ( 0.726, -3.330, -0.300) ( 0.01, 0.01, 0.00) torsion ( 0.227, -0.156, 1.421) ( 0.227, -0.156, 1.422) ( 0.00, 0.00, 0.09) oop ( -0.004, 0.002, -0.021) ( -0.003, 0.002, -0.018) ( 0.00, 0.00, 0.01) vdw (-14.498, -6.002, 0.935) (-14.498, -6.002, 0.935) ( 0.00, 0.00, 0.00) electro ( -0.257, -0.389, -0.500) ( -0.257, -0.389, -0.500) ( 0.00, 0.00, 0.00) 18 ( -0.846, -0.010, 0.550) ( -0.842, 0.000, 0.524) ( 0.36, 0.01, 1.42) bond ( -3.720, 10.016, 1.464) ( -3.714, 10.021, 1.464) ( 0.15, 0.06, 0.01) angle ( 3.372, 1.996, -0.096) ( 3.374, 1.998, -0.096) ( 0.05, 0.09, 0.00) strbnd ( 1.201, -0.848, -0.145) ( 1.201, -0.848, -0.145) ( 0.02, 0.01, 0.00) torsion ( 0.005, -0.001, 0.213) ( 0.005, -0.001, 0.214) ( 0.00, 0.00, 0.03) oop ( 0.015, -0.016, 0.164) ( 0.013, -0.013, 0.137) ( 0.00, 0.00, 0.45) vdw ( -1.486, -11.784, -0.891) ( -1.486, -11.784, -0.891) ( 0.00, 0.00, 0.00) electro ( -0.234, 0.627, -0.159) ( -0.234, 0.627, -0.159) ( 0.00, 0.00, 0.00) 19 ( -0.802, -0.231, -0.241) ( -0.792, -0.227, -0.209) ( 0.79, 0.10, 0.77) bond ( -3.439, 12.608, 1.190) ( -3.434, 12.614, 1.190) ( 0.17, 0.04, 0.02) angle ( -7.033, 2.531, 1.010) ( -7.031, 2.533, 1.010) ( 0.02, 0.06, 0.01) strbnd ( -0.939, -6.205, -0.494) ( -0.939, -6.206, -0.494) ( 0.02, 0.00, 0.00) torsion ( 0.083, -0.036, 0.405) ( 0.083, -0.036, 0.406) ( 0.00, 0.00, 0.05) oop ( -0.015, 0.016, -0.180) ( -0.012, 0.013, -0.149) ( 0.00, 0.00, 0.55) vdw ( 11.128, -8.501, -1.965) ( 11.128, -8.501, -1.965) ( 0.00, 0.00, 0.00) electro ( -0.587, -0.644, -0.207) ( -0.587, -0.644, -0.207) ( 0.00, 0.00, 0.00) 20 ( -0.443, -0.226, -0.393) ( -0.448, -0.219, -0.464) ( 0.20, 0.16, 2.79) bond (-23.028, 1.536, 2.475) (-23.023, 1.541, 2.475) ( 0.02, 0.33, 0.01) angle ( 15.846, -1.882, -2.254) ( 15.848, -1.881, -2.254) ( 0.01, 0.09, 0.00) strbnd ( -4.096, 7.781, 0.817) ( -4.097, 7.781, 0.817) ( 0.00, 0.00, 0.00) torsion ( 0.129, 0.136, 0.405) ( 0.129, 0.136, 0.407) ( 0.00, 0.00, 0.05) oop ( 0.078, -0.007, 0.518) ( 0.066, -0.007, 0.445) ( 0.09, 0.00, 3.76) vdw ( 11.264, -7.207, -2.094) ( 11.264, -7.207, -2.094) ( 0.00, 0.00, 0.00) electro ( -0.635, -0.582, -0.260) ( -0.635, -0.582, -0.260) ( 0.00, 0.00, 0.00) 21 ( 0.070, 0.058, 0.371) ( 0.080, -0.012, 0.135) ( 0.07, 0.40, 8.76) bond ( 7.503, -21.569, 13.282) ( 7.507, -21.565, 13.286) ( 0.05, 0.02, 0.03) angle ( -8.074, 14.944, -23.421) ( -8.072, 14.947, -23.419) ( 0.03, 0.01, 0.01) strbnd ( 2.250, 2.780, 1.796) ( 2.249, 2.779, 1.795) ( 0.04, 0.04, 0.03) torsion ( -0.293, 1.133, 8.011) ( -0.293, 1.133, 8.011) ( 0.00, 0.01, 0.00) oop ( -0.019, 0.274, 0.893) ( -0.014, 0.200, 0.651) ( 0.01, 2.04, 21.55) vdw ( -0.617, 2.348, -0.996) ( -0.617, 2.348, -0.996) ( 0.00, 0.00, 0.00) electro ( -0.681, 0.147, 0.808) ( -0.681, 0.147, 0.808) ( 0.00, 0.00, 0.00) 22 ( 0.335, -0.174, 0.517) ( 0.341, -0.168, 0.522) ( 0.18, 0.10, 0.29) bond ( 10.845, -2.778, -8.094) ( 10.850, -2.774, -8.090) ( 0.04, 0.15, 0.05) angle ( -9.008, -1.801, 6.507) ( -9.006, -1.799, 6.508) ( 0.02, 0.10, 0.03) strbnd ( 0.507, -2.141, 2.316) ( 0.507, -2.141, 2.315) ( 0.04, 0.02, 0.03) torsion ( 0.379, 2.149, -1.075) ( 0.379, 2.149, -1.075) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.389, 4.398, 0.864) ( -2.389, 4.398, 0.864) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( -0.056, -0.173, -0.298) ( -0.051, -0.167, -0.292) ( 0.03, 0.09, 0.18) bond ( -9.863, -5.250, 2.250) ( -9.858, -5.246, 2.255) ( 0.04, 0.08, 0.21) angle ( 12.507, 0.572, 0.600) ( 12.509, 0.573, 0.602) ( 0.02, 0.10, 0.10) strbnd ( 0.608, -3.802, 1.723) ( 0.607, -3.803, 1.722) ( 0.05, 0.02, 0.03) torsion ( -1.338, 1.223, -0.733) ( -1.338, 1.223, -0.733) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.970, 7.085, -4.139) ( -1.970, 7.085, -4.139) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( 0.006, -0.005, 0.058) ( 0.012, 0.000, 0.060) ( 0.00, 0.00, 0.02) bond ( -0.866, -18.509, 3.882) ( -0.862, -18.505, 3.887) ( 0.40, 0.02, 0.12) angle ( 5.959, 26.024, -8.109) ( 5.962, 26.026, -8.108) ( 0.04, 0.01, 0.02) strbnd (-10.525, -2.634, 0.562) (-10.527, -2.635, 0.562) ( 0.02, 0.03, 0.02) torsion ( -0.876, -1.089, 1.253) ( -0.876, -1.089, 1.253) ( 0.00, 0.00, 0.01) oop ( -0.001, 0.002, 0.014) ( -0.000, 0.002, 0.010) ( 0.00, 0.00, 0.00) vdw ( 2.349, -4.597, 0.926) ( 2.349, -4.597, 0.926) ( 0.01, 0.00, 0.00) electro ( 3.966, 0.797, 1.529) ( 3.966, 0.797, 1.529) ( 0.00, 0.00, 0.00) 25 ( -0.014, -0.101, -0.165) ( -0.009, -0.095, -0.159) ( 0.01, 0.06, 0.10) bond ( -3.870, 12.275, -0.924) ( -3.866, 12.279, -0.920) ( 0.10, 0.03, 0.41) angle ( -5.572, -18.333, 5.423) ( -5.570, -18.330, 5.425) ( 0.04, 0.01, 0.03) strbnd ( -1.114, -2.631, -0.165) ( -1.115, -2.631, -0.166) ( 0.10, 0.02, 0.00) torsion ( 3.318, -0.490, -3.647) ( 3.318, -0.490, -3.647) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.225, 9.078, -0.852) ( 7.225, 9.078, -0.852) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 ( -0.228, 0.018, 0.143) ( -0.223, 0.024, 0.149) ( 0.11, 0.01, 0.08) bond ( 4.426, -15.861, -0.954) ( 4.429, -15.857, -0.949) ( 0.08, 0.03, 0.45) angle ( -8.266, 12.873, -7.689) ( -8.264, 12.875, -7.687) ( 0.02, 0.02, 0.03) strbnd ( 1.193, 5.294, 4.137) ( 1.192, 5.293, 4.136) ( 0.07, 0.01, 0.03) torsion ( -0.164, -0.701, 3.652) ( -0.164, -0.701, 3.652) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.542, -1.377, 0.272) ( -0.542, -1.377, 0.272) ( 0.01, 0.00, 0.00) electro ( 3.125, -0.209, 0.725) ( 3.125, -0.209, 0.725) ( 0.00, 0.00, 0.00) 27 ( -0.131, 0.200, 0.315) ( -0.126, 0.205, 0.322) ( 0.06, 0.11, 0.19) bond ( -1.243, 14.723, 1.076) ( -1.239, 14.727, 1.080) ( 0.30, 0.03, 0.41) angle ( -2.830, -11.271, 1.923) ( -2.828, -11.269, 1.924) ( 0.07, 0.02, 0.10) strbnd ( 1.105, -0.095, 0.631) ( 1.104, -0.095, 0.630) ( 0.10, 0.01, 0.02) torsion ( 1.263, -4.544, -4.977) ( 1.263, -4.544, -4.977) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.574, 1.387, 1.663) ( 1.574, 1.387, 1.663) ( 0.01, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 28 ( -0.164, 0.308, 0.056) ( -0.159, 0.314, 0.060) ( 0.08, 0.19, 0.03) bond ( -2.953, -11.140, 2.764) ( -2.949, -11.136, 2.768) ( 0.12, 0.04, 0.15) angle ( -6.707, 11.635, 3.591) ( -6.705, 11.637, 3.594) ( 0.03, 0.02, 0.06) strbnd ( 1.933, -1.383, -4.721) ( 1.932, -1.383, -4.722) ( 0.05, 0.02, 0.03) torsion ( -0.767, 1.045, 0.680) ( -0.767, 1.045, 0.680) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.685, -1.579, 0.134) ( -1.684, -1.579, 0.134) ( 0.01, 0.00, 0.00) electro ( 10.015, 1.730, -2.393) ( 10.015, 1.730, -2.393) ( 0.00, 0.00, 0.00) 29 ( -0.089, 0.132, -0.028) ( -0.179, 0.268, 0.043) ( 0.80, 1.80, 0.20) bond ( -3.268, 7.249, 5.605) ( -3.264, 7.254, 5.609) ( 0.11, 0.06, 0.08) angle ( 1.228, -5.262, -5.708) ( 1.229, -5.261, -5.706) ( 0.14, 0.03, 0.04) strbnd ( -1.075, 1.910, 2.578) ( -1.075, 1.910, 2.578) ( 0.06, 0.02, 0.02) torsion ( -1.983, -2.819, -0.108) ( -1.983, -2.819, -0.108) ( 0.00, 0.00, 0.00) oop ( 0.919, -1.262, -0.629) ( 0.825, -1.132, -0.564) ( 8.72, 10.33, 4.10) vdw ( 3.898, -0.356, -3.193) ( 3.898, -0.356, -3.193) ( 0.00, 0.00, 0.00) electro ( 0.191, 0.672, 1.426) ( 0.191, 0.672, 1.426) ( 0.00, 0.00, 0.00) 30 ( -1.041, 1.402, 0.516) ( -0.321, 0.483, 0.053) (69.21, 65.53, 23.86) bond ( -1.273, -3.810, 6.037) ( -1.269, -3.807, 6.047) ( 0.30, 0.07, 0.16) angle ( 1.224, 1.913, 5.350) ( 1.225, 1.914, 5.352) ( 0.15, 0.07, 0.03) strbnd ( -1.468, 0.550, -3.069) ( -1.469, 0.549, -3.071) ( 0.07, 0.04, 0.07) torsion ( -0.091, 0.173, 0.599) ( -0.091, 0.173, 0.599) ( 0.00, 0.00, 0.00) oop ( -3.638, 4.815, 2.435) ( -2.922, 3.893, 1.963) (19.69, 19.15, 19.39) vdw ( 6.948, -1.148, -6.767) ( 6.948, -1.148, -6.767) ( 0.00, 0.00, 0.00) electro ( -2.744, -1.090, -4.069) ( -2.744, -1.090, -4.069) ( 0.00, 0.00, 0.00) 31 ( 0.881, -1.368, -1.069) ( 0.567, -0.962, -0.854) (27.76, 29.71, 20.14) bond ( 0.058, 0.328, -0.551) ( 0.058, 0.330, -0.546) ( 0.00, 0.06, 0.28) angle ( -2.127, -1.116, -0.901) ( -2.127, -1.116, -0.901) ( 0.03, 0.02, 0.01) strbnd ( -0.372, -0.811, 1.064) ( -0.372, -0.811, 1.064) ( 0.00, 0.01, 0.01) torsion ( 0.357, -0.491, -0.258) ( 0.357, -0.491, -0.258) ( 0.00, 0.00, 0.00) oop ( 1.362, -1.784, -0.930) ( 1.047, -1.380, -0.720) (23.18, 22.66, 19.55) vdw ( 3.653, 3.015, -1.101) ( 3.653, 3.015, -1.101) ( 0.00, 0.00, 0.00) electro ( -2.050, -0.510, 1.609) ( -2.050, -0.510, 1.609) ( 0.00, 0.00, 0.00) 32 ( -0.790, 1.265, 0.167) ( -1.091, 1.654, 0.369) (23.83, 30.79, 3.37) bond ( -3.495, -0.110, -5.185) ( -3.493, -0.110, -5.181) ( 0.06, 0.00, 0.09) angle ( 0.338, 0.315, -0.235) ( 0.339, 0.316, -0.235) ( 0.01, 0.02, 0.00) strbnd ( 0.426, -0.497, 1.754) ( 0.426, -0.497, 1.754) ( 0.01, 0.00, 0.01) torsion ( -0.160, 0.219, 0.103) ( -0.160, 0.219, 0.103) ( 0.00, 0.00, 0.00) oop ( 1.355, -1.770, -0.876) ( 1.050, -1.382, -0.679) (22.48, 21.97, 17.28) vdw ( 8.930, 2.395, -1.527) ( 8.930, 2.395, -1.527) ( 0.00, 0.00, 0.00) electro ( -8.183, 0.713, 6.132) ( -8.183, 0.713, 6.132) ( 0.00, 0.00, 0.00) 33 ( -0.924, 0.360, -0.139) ( -0.923, 0.367, -0.135) ( 0.06, 0.24, 0.05) bond ( -0.019, -1.678, -1.610) ( -0.019, -1.671, -1.608) ( 0.00, 0.37, 0.18) angle ( 8.749, -2.680, 5.549) ( 8.750, -2.680, 5.550) ( 0.01, 0.01, 0.02) strbnd ( 0.282, -2.395, -3.567) ( 0.282, -2.395, -3.567) ( 0.00, 0.00, 0.01) torsion ( -0.756, 0.926, -0.619) ( -0.756, 0.926, -0.619) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.059, 4.362, 2.702) ( 2.059, 4.362, 2.702) ( 0.01, 0.00, 0.00) electro (-11.239, 1.825, -2.594) (-11.239, 1.825, -2.594) ( 0.00, 0.00, 0.00) 34 ( 0.039, 0.551, 0.057) ( 0.045, 0.552, 0.061) ( 0.02, 0.04, 0.02) bond ( 13.740, 3.045, -11.264) ( 13.745, 3.046, -11.261) ( 0.04, 0.01, 0.03) angle ( 3.434, -0.862, -3.531) ( 3.435, -0.861, -3.530) ( 0.02, 0.04, 0.03) strbnd ( -0.868, -0.657, 2.046) ( -0.868, -0.658, 2.046) ( 0.01, 0.00, 0.02) torsion ( -0.397, 0.278, 0.129) ( -0.397, 0.278, 0.129) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.894, 2.781, 6.709) ( -1.894, 2.781, 6.709) ( 0.01, 0.00, 0.00) electro (-13.976, -4.035, 5.969) (-13.976, -4.035, 5.969) ( 0.00, 0.00, 0.00) 35 ( 0.215, -0.454, -0.523) ( 0.219, -0.455, -0.518) ( 0.09, 0.03, 0.24) bond ( 2.204, -0.030, -0.236) ( 2.207, -0.030, -0.236) ( 0.17, 0.00, 0.00) angle ( -0.031, -0.619, -0.215) ( -0.031, -0.619, -0.215) ( 0.00, 0.04, 0.00) strbnd ( -0.630, -0.117, 0.028) ( -0.630, -0.117, 0.028) ( 0.00, 0.00, 0.00) torsion ( -0.041, 0.142, -0.401) ( -0.041, 0.142, -0.401) ( 0.00, 0.00, 0.01) oop ( -0.003, 0.009, -0.025) ( -0.002, 0.007, -0.021) ( 0.00, 0.00, 0.01) vdw ( -0.755, 0.010, 0.078) ( -0.755, 0.010, 0.078) ( 0.00, 0.00, 0.00) electro ( -0.529, 0.151, 0.248) ( -0.529, 0.151, 0.248) ( 0.00, 0.00, 0.00) 36 ( 0.007, -0.633, 0.684) ( 0.009, -0.633, 0.694) ( 0.00, 0.02, 0.66) bond ( 1.008, -1.858, -0.711) ( 1.009, -1.855, -0.710) ( 0.08, 0.14, 0.03) angle ( -0.810, -0.409, -0.083) ( -0.810, -0.408, -0.083) ( 0.04, 0.01, 0.00) strbnd ( -0.164, 0.654, 0.244) ( -0.164, 0.654, 0.244) ( 0.00, 0.00, 0.00) torsion ( 0.047, -0.195, 0.576) ( 0.047, -0.195, 0.577) ( 0.00, 0.00, 0.02) oop ( -0.004, 0.018, -0.054) ( -0.003, 0.015, -0.045) ( 0.00, 0.01, 0.05) vdw ( -0.412, 0.629, 0.244) ( -0.412, 0.629, 0.244) ( 0.00, 0.00, 0.00) electro ( 0.342, 0.528, 0.467) ( 0.342, 0.528, 0.467) ( 0.00, 0.00, 0.00) 37 ( 0.096, -0.359, 0.906) ( 0.097, -0.351, 0.890) ( 0.00, 0.30, 1.47) bond ( -1.065, -1.705, -0.491) ( -1.064, -1.702, -0.491) ( 0.09, 0.15, 0.01) angle ( 2.772, -1.525, -0.719) ( 2.772, -1.525, -0.719) ( 0.02, 0.01, 0.00) strbnd ( 0.823, 1.075, 0.277) ( 0.823, 1.075, 0.277) ( 0.00, 0.00, 0.00) torsion ( 0.096, -0.361, 1.046) ( 0.096, -0.361, 1.046) ( 0.00, 0.00, 0.03) oop ( 0.009, -0.035, 0.104) ( 0.007, -0.030, 0.087) ( 0.00, 0.02, 0.17) vdw ( -4.611, 3.272, -0.769) ( -4.611, 3.272, -0.769) ( 0.00, 0.00, 0.00) electro ( 2.074, -1.079, 1.460) ( 2.074, -1.079, 1.460) ( 0.00, 0.00, 0.00) 38 ( 0.416, 0.331, -1.341) ( 0.421, 0.315, -1.283) ( 0.22, 0.54, 4.33) bond ( -0.610, 1.154, 0.431) ( -0.609, 1.156, 0.432) ( 0.05, 0.23, 0.02) angle ( 2.171, 1.091, 0.140) ( 2.172, 1.091, 0.140) ( 0.03, 0.01, 0.00) strbnd ( 0.292, -0.874, -0.249) ( 0.292, -0.874, -0.249) ( 0.00, 0.00, 0.00) torsion ( -0.070, 0.364, -1.074) ( -0.070, 0.364, -1.074) ( 0.00, 0.00, 0.03) oop ( -0.025, 0.116, -0.346) ( -0.021, 0.097, -0.289) ( 0.01, 0.22, 1.99) vdw ( -0.968, -2.087, -0.646) ( -0.967, -2.087, -0.646) ( 0.00, 0.00, 0.00) electro ( -0.374, 0.569, 0.403) ( -0.374, 0.569, 0.403) ( 0.00, 0.00, 0.00) 39 ( 0.380, 0.037, -1.541) ( 0.383, 0.036, -1.529) ( 0.11, 0.00, 0.79) bond ( 1.161, 1.766, 0.453) ( 1.162, 1.769, 0.453) ( 0.09, 0.14, 0.01) angle ( 0.496, -0.284, -0.165) ( 0.497, -0.284, -0.165) ( 0.02, 0.00, 0.00) strbnd ( -0.428, -0.962, -0.256) ( -0.428, -0.962, -0.256) ( 0.00, 0.00, 0.00) torsion ( -0.154, 0.452, -1.372) ( -0.154, 0.452, -1.372) ( 0.00, 0.00, 0.02) oop ( -0.008, 0.023, -0.071) ( -0.007, 0.019, -0.059) ( 0.00, 0.01, 0.08) vdw ( -0.423, -0.628, -0.165) ( -0.423, -0.628, -0.165) ( 0.00, 0.00, 0.00) electro ( -0.264, -0.330, 0.035) ( -0.264, -0.330, 0.035) ( 0.00, 0.00, 0.00) 40 ( -0.101, 0.325, 0.544) ( -0.076, 0.526, 0.340) ( 0.26, 6.53, 11.09) bond ( 1.250, -2.067, -1.848) ( 1.251, -2.065, -1.846) ( 0.07, 0.11, 0.10) angle ( -6.227, -1.125, -2.962) ( -6.226, -1.124, -2.961) ( 0.01, 0.01, 0.00) strbnd ( -0.245, -0.553, -0.380) ( -0.245, -0.553, -0.380) ( 0.00, 0.00, 0.00) torsion ( 1.954, -0.617, 2.015) ( 1.954, -0.617, 2.015) ( 0.00, 0.01, 0.00) oop ( -0.207, -1.458, 1.491) ( -0.183, -1.260, 1.285) ( 0.50, 13.62, 13.81) vdw ( -0.907, 0.415, -2.870) ( -0.907, 0.416, -2.870) ( 0.01, 0.00, 0.00) electro ( 4.281, 5.730, 5.098) ( 4.281, 5.730, 5.098) ( 0.00, 0.00, 0.00) 41 ( 0.150, -0.326, -1.122) ( 0.156, -0.330, -1.156) ( 0.09, 0.11, 3.09) bond ( 1.745, -1.007, 0.287) ( 1.748, -1.006, 0.287) ( 0.17, 0.10, 0.00) angle ( 0.464, 0.801, -0.015) ( 0.464, 0.801, -0.015) ( 0.01, 0.05, 0.00) strbnd ( 0.646, 0.353, -0.007) ( 0.646, 0.352, -0.007) ( 0.00, 0.00, 0.00) torsion ( 0.413, -0.701, -4.980) ( 0.413, -0.701, -4.980) ( 0.00, 0.00, 0.01) oop ( -0.012, 0.022, 0.147) ( -0.009, 0.017, 0.112) ( 0.00, 0.01, 0.51) vdw ( -2.888, -0.070, 2.547) ( -2.888, -0.069, 2.547) ( 0.00, 0.00, 0.00) electro ( -0.219, 0.276, 0.899) ( -0.219, 0.276, 0.899) ( 0.00, 0.00, 0.00) 42 ( -0.022, 0.418, 1.179) ( -0.018, 0.419, 1.187) ( 0.01, 0.04, 0.61) bond ( -1.375, 0.917, 0.310) ( -1.372, 0.918, 0.310) ( 0.19, 0.11, 0.00) angle ( 3.321, 4.944, 0.058) ( 3.321, 4.944, 0.059) ( 0.01, 0.01, 0.00) strbnd ( -1.480, 0.664, 0.304) ( -1.480, 0.664, 0.304) ( 0.00, 0.00, 0.00) torsion ( -0.662, 0.518, -4.465) ( -0.662, 0.518, -4.465) ( 0.00, 0.00, 0.01) oop ( -0.006, 0.005, -0.042) ( -0.005, 0.004, -0.035) ( 0.00, 0.00, 0.03) vdw ( -0.590, -7.239, 3.112) ( -0.590, -7.239, 3.112) ( 0.00, 0.00, 0.00) electro ( 0.772, 0.610, 1.902) ( 0.772, 0.610, 1.902) ( 0.00, 0.00, 0.00) 43 ( -0.711, 0.449, 1.668) ( -0.708, 0.450, 1.671) ( 0.25, 0.04, 0.19) bond ( 1.870, 0.804, -0.109) ( 1.873, 0.804, -0.109) ( 0.17, 0.05, 0.00) angle ( -0.221, 0.524, 0.072) ( -0.221, 0.524, 0.072) ( 0.00, 0.03, 0.00) strbnd ( -1.440, -0.145, 0.136) ( -1.440, -0.145, 0.136) ( 0.00, 0.00, 0.00) torsion ( 0.118, -0.120, 1.139) ( 0.118, -0.120, 1.139) ( 0.00, 0.00, 0.03) oop ( -0.002, 0.002, -0.018) ( -0.002, 0.002, -0.015) ( 0.00, 0.00, 0.00) vdw ( -0.750, -0.350, 0.003) ( -0.750, -0.350, 0.003) ( 0.00, 0.00, 0.00) electro ( -0.286, -0.265, 0.445) ( -0.286, -0.265, 0.445) ( 0.00, 0.00, 0.00) 44 ( -1.146, 0.069, 0.778) ( -1.144, 0.072, 0.786) ( 0.13, 0.02, 0.61) bond ( 0.202, 1.622, 0.146) ( 0.202, 1.625, 0.146) ( 0.00, 0.23, 0.00) angle ( -1.147, 0.132, 0.122) ( -1.147, 0.132, 0.122) ( 0.06, 0.00, 0.00) strbnd ( -0.299, -0.281, 0.005) ( -0.299, -0.281, 0.005) ( 0.00, 0.00, 0.00) torsion ( 0.051, -0.056, 0.548) ( 0.051, -0.056, 0.549) ( 0.00, 0.00, 0.02) oop ( -0.004, 0.004, -0.044) ( -0.004, 0.004, -0.036) ( 0.00, 0.00, 0.03) vdw ( -0.104, -0.746, -0.073) ( -0.104, -0.746, -0.073) ( 0.00, 0.00, 0.00) electro ( 0.156, -0.607, 0.072) ( 0.156, -0.607, 0.072) ( 0.00, 0.00, 0.00) 45 ( -0.998, -0.419, -0.572) ( -0.996, -0.416, -0.587) ( 0.13, 0.13, 0.80) bond ( -2.026, 1.473, 0.312) ( -2.024, 1.474, 0.312) ( 0.12, 0.09, 0.00) angle ( -0.884, -1.211, -0.011) ( -0.883, -1.211, -0.011) ( 0.02, 0.04, 0.00) strbnd ( 0.669, 0.039, -0.071) ( 0.669, 0.039, -0.071) ( 0.00, 0.00, 0.00) torsion ( -0.083, 0.075, -0.891) ( -0.083, 0.075, -0.891) ( 0.00, 0.00, 0.03) oop ( 0.008, -0.007, 0.085) ( 0.007, -0.006, 0.071) ( 0.00, 0.00, 0.12) vdw ( 0.563, -0.681, -0.091) ( 0.563, -0.681, -0.091) ( 0.00, 0.00, 0.00) electro ( 0.755, -0.106, 0.094) ( 0.755, -0.106, 0.094) ( 0.00, 0.00, 0.00) 46 ( -0.462, -0.436, -1.022) ( -0.460, -0.433, -1.035) ( 0.08, 0.10, 1.34) bond ( -1.548, -0.548, 0.144) ( -1.545, -0.547, 0.145) ( 0.21, 0.02, 0.00) angle ( -2.690, 7.839, 0.924) ( -2.690, 7.840, 0.924) ( 0.00, 0.01, 0.00) strbnd ( 2.263, 1.431, -0.188) ( 2.263, 1.431, -0.188) ( 0.00, 0.00, 0.00) torsion ( -0.041, 0.010, -0.399) ( -0.041, 0.010, -0.398) ( 0.00, 0.00, 0.01) oop ( 0.011, -0.007, 0.092) ( 0.009, -0.006, 0.078) ( 0.00, 0.00, 0.13) vdw ( 2.373, -10.506, -1.864) ( 2.373, -10.506, -1.864) ( 0.00, 0.00, 0.00) electro ( -0.829, 1.345, 0.268) ( -0.829, 1.345, 0.268) ( 0.00, 0.00, 0.00) 47 ( -0.364, 0.001, 0.224) ( -0.363, 0.002, 0.227) ( 0.04, 0.00, 0.06) bond ( 2.065, 0.651, 4.277) ( 2.066, 0.651, 4.280) ( 0.03, 0.01, 0.06) angle ( -1.189, 0.877, 0.440) ( -1.189, 0.878, 0.440) ( 0.04, 0.06, 0.01) strbnd ( -1.004, -2.559, -2.464) ( -1.004, -2.559, -2.464) ( 0.00, 0.00, 0.00) torsion ( 0.081, 1.012, -0.193) ( 0.081, 1.012, -0.193) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.317, 0.020, -1.836) ( -0.317, 0.020, -1.835) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 48 ( 0.158, 0.208, 0.381) ( 0.161, 0.209, 0.382) ( 0.05, 0.03, 0.02) bond ( -1.345, -0.662, -0.174) ( -1.342, -0.661, -0.174) ( 0.21, 0.04, 0.00) angle ( 2.482, -5.347, 1.171) ( 2.482, -5.347, 1.171) ( 0.00, 0.01, 0.04) strbnd ( -0.569, -0.838, -0.623) ( -0.569, -0.838, -0.623) ( 0.00, 0.00, 0.00) torsion ( 0.479, -1.375, 1.531) ( 0.479, -1.375, 1.531) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.889, 8.429, -1.524) ( -0.889, 8.429, -1.524) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 49 ( 0.370, -0.684, 0.437) ( 0.371, -0.684, 0.441) ( 0.03, 0.03, 0.14) bond ( -0.186, 0.025, -0.685) ( -0.186, 0.025, -0.682) ( 0.00, 0.00, 0.22) angle ( 1.336, -2.129, -0.442) ( 1.336, -2.128, -0.442) ( 0.04, 0.02, 0.00) strbnd ( 0.611, -0.262, -0.310) ( 0.611, -0.262, -0.310) ( 0.00, 0.00, 0.00) torsion ( -0.104, -0.201, 0.021) ( -0.104, -0.201, 0.021) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.287, 1.882, 1.854) ( -1.287, 1.882, 1.854) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 50 ( 0.588, 0.088, 1.012) ( 0.589, 0.092, 1.013) ( 0.04, 0.03, 0.07) bond ( 0.403, -2.471, 0.627) ( 0.403, -2.468, 0.627) ( 0.00, 0.12, 0.01) angle ( 5.516, 0.699, -0.794) ( 5.517, 0.699, -0.793) ( 0.01, 0.00, 0.04) strbnd ( 0.314, 1.208, -0.817) ( 0.314, 1.208, -0.817) ( 0.00, 0.00, 0.00) torsion ( -0.531, -0.207, -0.474) ( -0.531, -0.207, -0.474) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.114, 0.860, 2.470) ( -5.114, 0.860, 2.470) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 51 ( -0.316, -0.193, -0.505) ( -0.315, -0.192, -0.503) ( 0.06, 0.02, 0.10) bond ( 0.716, -0.298, -0.826) ( 0.717, -0.297, -0.824) ( 0.10, 0.01, 0.15) angle ( 1.189, -5.329, 2.958) ( 1.189, -5.328, 2.959) ( 0.03, 0.01, 0.01) strbnd ( -0.047, -0.589, -0.422) ( -0.047, -0.589, -0.422) ( 0.00, 0.00, 0.00) torsion ( 0.936, -0.735, 1.080) ( 0.936, -0.735, 1.080) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.110, 6.758, -3.296) ( -3.110, 6.758, -3.296) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 52 ( -0.101, -0.092, -0.176) ( -0.100, -0.090, -0.175) ( 0.01, 0.02, 0.01) bond ( 1.134, -2.431, 0.852) ( 1.134, -2.428, 0.852) ( 0.05, 0.10, 0.03) angle ( -3.696, -1.139, 1.674) ( -3.696, -1.138, 1.675) ( 0.01, 0.01, 0.03) strbnd ( -1.209, 1.211, -0.450) ( -1.209, 1.211, -0.450) ( 0.00, 0.00, 0.00) torsion ( -0.018, 0.060, 0.194) ( -0.018, 0.060, 0.194) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 3.689, 2.206, -2.447) ( 3.689, 2.206, -2.447) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 53 ( 0.304, -0.091, -0.474) ( 0.305, -0.090, -0.471) ( 0.04, 0.01, 0.12) bond ( -0.341, -0.134, -0.569) ( -0.341, -0.134, -0.567) ( 0.03, 0.00, 0.14) angle ( 0.912, -4.148, 0.434) ( 0.913, -4.147, 0.434) ( 0.03, 0.01, 0.01) strbnd ( -0.362, -0.327, 0.331) ( -0.362, -0.327, 0.331) ( 0.00, 0.00, 0.00) torsion ( 0.427, -0.471, -0.145) ( 0.427, -0.471, -0.145) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.333, 4.990, -0.524) ( -0.333, 4.990, -0.524) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 54 ( 0.047, 0.327, 0.213) ( 0.048, 0.328, 0.216) ( 0.00, 0.04, 0.06) bond ( 0.044, 0.448, -1.022) ( 0.044, 0.449, -1.019) ( 0.00, 0.02, 0.28) angle ( -5.073, 4.709, 1.855) ( -5.072, 4.710, 1.855) ( 0.01, 0.01, 0.00) strbnd ( -0.688, -1.108, -0.508) ( -0.688, -1.108, -0.508) ( 0.00, 0.00, 0.00) torsion ( 0.301, 0.513, 0.239) ( 0.301, 0.513, 0.239) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 5.463, -4.236, -0.352) ( 5.463, -4.236, -0.352) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 55 ( -0.139, -0.301, 0.325) ( -0.139, -0.299, 0.327) ( 0.01, 0.06, 0.06) bond ( 0.004, -0.058, -0.057) ( 0.004, -0.056, -0.056) ( 0.00, 0.01, 0.01) angle ( -0.993, 1.847, -1.929) ( -0.992, 1.847, -1.929) ( 0.07, 0.01, 0.01) strbnd ( -0.720, -1.271, 0.377) ( -0.720, -1.271, 0.377) ( 0.00, 0.00, 0.00) torsion ( 0.101, 0.125, -0.120) ( 0.101, 0.125, -0.120) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.469, -0.945, 2.055) ( 1.469, -0.944, 2.055) ( 0.01, 0.01, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 56 ( -0.037, -0.300, -0.241) ( -0.036, -0.299, -0.238) ( 0.00, 0.04, 0.06) bond ( 0.176, 1.777, -3.219) ( 0.177, 1.777, -3.216) ( 0.00, 0.04, 0.08) angle ( -1.373, -1.962, -1.160) ( -1.373, -1.962, -1.159) ( 0.05, 0.02, 0.01) strbnd ( -0.304, 0.067, 1.171) ( -0.304, 0.067, 1.171) ( 0.00, 0.00, 0.00) torsion ( -1.378, 0.531, 0.218) ( -1.378, 0.532, 0.218) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.841, -0.714, 2.749) ( 2.842, -0.714, 2.749) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 57 ( 0.041, 0.148, -0.296) ( 0.041, 0.150, -0.294) ( 0.00, 0.03, 0.06) bond ( -0.135, 2.007, 2.146) ( -0.135, 2.009, 2.147) ( 0.00, 0.08, 0.08) angle ( 0.451, -0.692, 0.675) ( 0.452, -0.692, 0.675) ( 0.03, 0.02, 0.02) strbnd ( -0.177, -0.030, -0.939) ( -0.177, -0.030, -0.939) ( 0.00, 0.00, 0.00) torsion ( -1.075, -0.300, 0.213) ( -1.075, -0.300, 0.213) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.976, -0.838, -2.392) ( 0.976, -0.838, -2.392) ( 0.02, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 58 ( -0.254, 0.017, -0.064) ( -0.254, 0.019, -0.062) ( 0.02, 0.00, 0.02) bond ( -0.040, -1.500, 1.928) ( -0.040, -1.499, 1.930) ( 0.00, 0.08, 0.11) angle ( -1.136, 1.312, 0.995) ( -1.135, 1.312, 0.995) ( 0.05, 0.03, 0.02) strbnd ( 0.280, -0.457, -0.574) ( 0.280, -0.457, -0.574) ( 0.00, 0.00, 0.00) torsion ( 0.158, 0.214, 0.170) ( 0.158, 0.214, 0.170) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.484, 0.449, -2.583) ( 0.484, 0.449, -2.583) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 59 ( -0.039, 0.371, 0.524) ( -0.039, 0.373, 0.526) ( 0.00, 0.07, 0.11) bond ( 0.250, 2.246, -2.453) ( 0.250, 2.247, -2.451) ( 0.00, 0.07, 0.07) angle ( -0.227, 0.092, 0.062) ( -0.226, 0.092, 0.062) ( 0.01, 0.00, 0.00) strbnd ( -0.193, -0.135, 1.231) ( -0.193, -0.135, 1.231) ( 0.00, 0.00, 0.00) torsion ( 0.564, 2.085, 1.969) ( 0.564, 2.085, 1.969) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.433, -3.917, -0.285) ( -0.433, -3.917, -0.285) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 60 ( -0.063, -0.072, 0.504) ( -0.062, -0.071, 0.506) ( 0.01, 0.01, 0.13) bond ( 0.260, 1.745, 3.031) ( 0.260, 1.746, 3.033) ( 0.00, 0.05, 0.08) angle ( 3.751, -1.603, 0.601) ( 3.752, -1.603, 0.601) ( 0.02, 0.02, 0.01) strbnd ( -0.199, -0.015, -1.540) ( -0.199, -0.015, -1.540) ( 0.00, 0.00, 0.00) torsion ( -1.382, 1.853, -0.948) ( -1.382, 1.853, -0.948) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.493, -2.052, -0.640) ( -2.493, -2.052, -0.640) ( 0.01, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 61 ( -0.281, 0.189, -0.034) ( -0.280, 0.192, -0.033) ( 0.02, 0.06, 0.00) bond ( 0.133, -2.004, 0.580) ( 0.133, -2.001, 0.581) ( 0.00, 0.15, 0.02) angle ( 0.076, -0.444, -1.547) ( 0.077, -0.444, -1.546) ( 0.00, 0.00, 0.04) strbnd ( -0.121, -0.013, 0.295) ( -0.121, -0.013, 0.295) ( 0.00, 0.00, 0.00) torsion ( 0.940, 0.033, -0.103) ( 0.940, 0.033, -0.103) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.309, 2.616, 0.740) ( -1.309, 2.616, 0.740) ( 0.01, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 62 ( -0.037, 0.359, 0.037) ( -0.037, 0.362, 0.038) ( 0.00, 0.10, 0.00) bond ( -0.580, 1.889, -0.905) ( -0.580, 1.891, -0.905) ( 0.01, 0.13, 0.05) angle ( -0.273, 0.763, 1.769) ( -0.273, 0.763, 1.769) ( 0.01, 0.01, 0.02) strbnd ( -0.325, 0.488, 0.279) ( -0.325, 0.488, 0.279) ( 0.00, 0.00, 0.00) torsion ( 1.294, 0.792, 0.827) ( 1.294, 0.792, 0.827) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.153, -3.573, -1.933) ( -0.153, -3.573, -1.933) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 63 ( -0.297, 0.195, 0.097) ( -0.296, 0.196, 0.100) ( 0.03, 0.01, 0.03) bond ( 0.610, 0.315, 1.633) ( 0.610, 0.315, 1.636) ( 0.02, 0.00, 0.18) angle ( -1.418, 1.386, 0.261) ( -1.418, 1.387, 0.261) ( 0.03, 0.03, 0.00) strbnd ( -0.282, 0.382, 0.365) ( -0.282, 0.382, 0.365) ( 0.00, 0.00, 0.00) torsion ( 0.426, 0.990, -0.350) ( 0.426, 0.990, -0.350) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.367, -2.878, -1.812) ( 0.367, -2.878, -1.812) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 64 ( 5.704, -0.249, 0.138) ( 5.704, -0.244, 0.139) ( 0.00, 0.13, 0.01) bond ( 0.052, 0.524, -0.141) ( 0.052, 0.529, -0.141) ( 0.00, 0.27, 0.01) angle ( 0.150, -0.836, -3.088) ( 0.150, -0.836, -3.088) ( 0.00, 0.00, 0.02) strbnd ( -0.049, -0.575, 0.050) ( -0.049, -0.575, 0.050) ( 0.00, 0.00, 0.00) torsion ( 0.430, -0.034, 0.030) ( 0.430, -0.034, 0.030) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.052, 1.173, 1.899) ( 0.052, 1.173, 1.900) ( 0.00, 0.00, 0.00) electro ( 5.069, -0.500, 1.387) ( 5.069, -0.500, 1.387) ( 0.00, 0.00, 0.00) 65 ( -0.114, 0.570, -0.149) ( -0.109, 0.571, -0.148) ( 0.06, 0.02, 0.01) bond (-17.085, -2.760, 0.383) (-17.080, -2.760, 0.384) ( 0.03, 0.01, 0.00) angle ( 0.082, -0.169, 2.424) ( 0.082, -0.169, 2.425) ( 0.00, 0.00, 0.02) strbnd ( 0.390, 0.135, -0.958) ( 0.390, 0.135, -0.958) ( 0.00, 0.00, 0.00) torsion ( -0.084, 0.524, 0.039) ( -0.084, 0.524, 0.039) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.216, 1.133, 7.265) ( -1.216, 1.133, 7.265) ( 0.00, 0.00, 0.00) electro ( 17.799, 1.709, -9.304) ( 17.799, 1.709, -9.304) ( 0.00, 0.00, 0.00) ok 14 # gradients ok 15 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -1.689, 29.086, 12.210) ( -1.711, 29.002, 12.363) ( 1.27, 0.29, 1.25) bond (-17.707, 8.335, 2.191) (-17.700, 8.340, 2.193) ( 0.04, 0.06, 0.09) angle ( 17.323, 25.618, 18.944) ( 17.325, 25.620, 18.945) ( 0.01, 0.01, 0.00) strbnd ( -1.493, -7.945, -5.133) ( -1.494, -7.946, -5.134) ( 0.06, 0.01, 0.00) torsion ( 0.601, 2.014, -3.362) ( 0.601, 2.014, -3.362) ( 0.00, 0.01, 0.02) oop ( 0.117, 0.376, -0.635) ( 0.088, 0.286, -0.485) ( 0.35, 3.38, 9.52) vdw ( -0.601, -0.190, -0.199) ( -0.601, -0.190, -0.199) ( 0.00, 0.00, 0.00) electro ( 0.071, 0.878, 0.403) ( 0.071, 0.878, 0.403) ( 0.00, 0.00, 0.00) 2 (-43.130, -3.367, -5.439) (-43.097, -3.287, -5.559) ( 0.08, 2.36, 2.20) bond (-26.717, -2.707, -7.585) (-26.711, -2.702, -7.583) ( 0.02, 0.19, 0.02) angle (-14.462, -4.144, -5.035) (-14.460, -4.143, -5.035) ( 0.01, 0.04, 0.01) strbnd ( 0.308, 7.811, 4.693) ( 0.308, 7.811, 4.693) ( 0.01, 0.01, 0.01) torsion ( -0.735, -2.026, 3.413) ( -0.735, -2.026, 3.414) ( 0.00, 0.02, 0.03) oop ( -0.154, -0.448, 0.744) ( -0.128, -0.375, 0.621) ( 0.40, 3.28, 9.11) vdw ( -1.663, -1.307, -1.215) ( -1.663, -1.307, -1.215) ( 0.00, 0.00, 0.00) electro ( 0.292, -0.546, -0.454) ( 0.292, -0.546, -0.454) ( 0.00, 0.00, 0.00) 3 ( 26.796, 24.803, 13.755) ( 26.767, 24.702, 13.933) ( 0.11, 0.40, 1.30) bond ( 32.244, 7.181, 11.384) ( 32.249, 7.186, 11.386) ( 0.02, 0.06, 0.02) angle ( -9.397, 6.895, 4.311) ( -9.395, 6.897, 4.311) ( 0.02, 0.02, 0.02) strbnd ( 5.047, 6.760, 5.135) ( 5.046, 6.759, 5.135) ( 0.01, 0.01, 0.00) torsion ( 1.173, 3.527, -5.707) ( 1.173, 3.527, -5.706) ( 0.00, 0.01, 0.01) oop ( 0.194, 0.561, -0.910) ( 0.158, 0.454, -0.735) ( 0.69, 5.96, 15.93) vdw ( -2.822, 0.795, 0.719) ( -2.822, 0.795, 0.719) ( 0.00, 0.00, 0.00) electro ( 0.358, -0.916, -1.176) ( 0.358, -0.916, -1.176) ( 0.00, 0.00, 0.00) 4 ( 30.208, 3.073, 6.213) ( 30.219, 3.104, 6.463) ( 0.04, 1.02, 4.03) bond ( 44.923, 3.054, 10.850) ( 44.929, 3.058, 10.852) ( 0.01, 0.15, 0.02) angle (-11.137, 3.853, 1.631) (-11.135, 3.855, 1.632) ( 0.02, 0.05, 0.04) strbnd ( -0.803, -4.122, -2.305) ( -0.804, -4.123, -2.306) ( 0.08, 0.01, 0.01) torsion ( -0.049, -0.229, -1.535) ( -0.049, -0.229, -1.535) ( 0.00, 0.01, 0.05) oop ( -0.023, -0.118, -0.821) ( -0.020, -0.093, -0.574) ( 0.01, 0.29, 20.32) vdw ( -2.511, 0.309, -1.489) ( -2.511, 0.309, -1.489) ( 0.00, 0.00, 0.00) electro ( -0.191, 0.327, -0.117) ( -0.191, 0.327, -0.117) ( 0.00, 0.00, 0.00) 5 ( -7.948, -76.115, -41.479) ( -7.959, -76.157, -41.393) ( 0.13, 0.05, 0.21) bond ( 8.045, -42.089, -24.804) ( 8.052, -42.083, -24.802) ( 0.09, 0.01, 0.01) angle (-16.828, -30.092, -21.409) (-16.826, -30.090, -21.409) ( 0.01, 0.01, 0.00) strbnd ( 5.512, -1.560, 0.571) ( 5.511, -1.560, 0.570) ( 0.02, 0.01, 0.01) torsion ( -1.167, -3.866, 6.122) ( -1.167, -3.866, 6.123) ( 0.00, 0.01, 0.01) oop ( 0.067, 0.201, -0.328) ( 0.049, 0.152, -0.246) ( 0.12, 0.98, 2.70) vdw ( -3.591, 1.489, -1.515) ( -3.591, 1.489, -1.515) ( 0.00, 0.00, 0.00) electro ( 0.014, -0.198, -0.115) ( 0.014, -0.198, -0.115) ( 0.00, 0.00, 0.00) 6 (-30.115, -5.188, 10.096) (-30.111, -5.194, 9.573) ( 0.01, 0.12, 5.18) bond (-46.066, -5.896, 0.687) (-46.059, -5.889, 0.688) ( 0.01, 0.11, 0.01) angle ( 11.582, -5.904, 1.352) ( 11.584, -5.902, 1.352) ( 0.02, 0.04, 0.01) strbnd ( 1.321, 5.298, 0.111) ( 1.319, 5.297, 0.111) ( 0.08, 0.01, 0.00) torsion ( 0.044, 1.140, 6.540) ( 0.044, 1.140, 6.541) ( 0.00, 0.01, 0.02) oop ( -0.012, 0.131, 2.561) ( -0.015, 0.116, 2.037) ( 0.00, 0.19, 20.47) vdw ( 2.802, 0.309, -0.945) ( 2.802, 0.309, -0.945) ( 0.00, 0.00, 0.00) electro ( 0.213, -0.266, -0.210) ( 0.213, -0.266, -0.210) ( 0.00, 0.00, 0.00) 7 ( 12.679, 86.994, -19.032) ( 12.700, 86.952, -19.301) ( 0.17, 0.05, 1.42) bond ( -5.030, 48.598, -6.009) ( -5.023, 48.605, -6.009) ( 0.14, 0.01, 0.00) angle ( 20.610, 38.351, -5.278) ( 20.612, 38.353, -5.277) ( 0.01, 0.01, 0.00) strbnd ( -7.020, 1.621, -1.168) ( -7.021, 1.621, -1.168) ( 0.02, 0.02, 0.01) torsion ( 0.098, -1.110, -6.501) ( 0.098, -1.110, -6.500) ( 0.00, 0.00, 0.01) oop ( 0.002, 0.211, 1.179) ( 0.015, 0.160, 0.909) ( 0.00, 1.08, 22.95) vdw ( 4.021, -0.905, -1.238) ( 4.021, -0.905, -1.238) ( 0.00, 0.00, 0.00) electro ( -0.002, 0.227, -0.017) ( -0.002, 0.227, -0.017) ( 0.00, 0.00, 0.00) 8 ( -0.374, -32.479, 6.496) ( -0.364, -32.472, 6.450) ( 0.39, 0.02, 0.71) bond ( 17.320, -9.193, 0.193) ( 17.327, -9.187, 0.193) ( 0.04, 0.07, 0.00) angle (-21.343, -31.556, 3.930) (-21.342, -31.553, 3.930) ( 0.01, 0.01, 0.00) strbnd ( 3.117, 8.773, -0.540) ( 3.116, 8.771, -0.540) ( 0.03, 0.01, 0.00) torsion ( 0.062, 0.254, 3.026) ( 0.062, 0.254, 3.027) ( 0.00, 0.00, 0.04) oop ( -0.019, -0.027, -0.085) ( -0.016, -0.028, -0.132) ( 0.00, 0.00, 0.40) vdw ( 0.599, 0.238, -0.003) ( 0.599, 0.238, -0.003) ( 0.00, 0.00, 0.00) electro ( -0.111, -0.968, -0.025) ( -0.111, -0.968, -0.025) ( 0.00, 0.00, 0.00) 9 ( 44.803, 3.914, 2.819) ( 44.806, 3.913, 2.731) ( 0.01, 0.03, 3.12) bond ( 27.504, 4.642, -1.536) ( 27.511, 4.648, -1.536) ( 0.02, 0.14, 0.00) angle ( 15.991, 5.308, -0.805) ( 15.993, 5.309, -0.804) ( 0.01, 0.04, 0.01) strbnd ( -0.547, -8.870, 0.817) ( -0.547, -8.870, 0.817) ( 0.03, 0.01, 0.00) torsion ( 0.167, 0.437, 4.249) ( 0.167, 0.437, 4.250) ( 0.00, 0.00, 0.03) oop ( 0.027, 0.073, 0.647) ( 0.022, 0.064, 0.558) ( 0.01, 0.07, 5.77) vdw ( 1.899, 1.622, -0.325) ( 1.899, 1.622, -0.325) ( 0.00, 0.00, 0.00) electro ( -0.238, 0.703, -0.227) ( -0.238, 0.703, -0.227) ( 0.00, 0.00, 0.00) 10 (-30.928, -25.769, -2.929) (-30.914, -25.703, -2.397) ( 0.04, 0.25, 18.16) bond (-33.338, -10.219, 2.044) (-33.333, -10.213, 2.044) ( 0.02, 0.06, 0.00) angle ( 5.728, -6.663, 4.844) ( 5.730, -6.662, 4.844) ( 0.04, 0.03, 0.01) strbnd ( -5.454, -7.832, 0.921) ( -5.455, -7.833, 0.921) ( 0.01, 0.01, 0.00) torsion ( -0.215, -0.970, -8.075) ( -0.215, -0.970, -8.074) ( 0.00, 0.00, 0.01) oop ( -0.036, -0.302, -2.716) ( -0.029, -0.244, -2.185) ( 0.02, 1.75, 19.54) vdw ( 2.593, -1.118, 0.786) ( 2.593, -1.118, 0.786) ( 0.00, 0.00, 0.00) electro ( -0.206, 1.335, -0.734) ( -0.206, 1.335, -0.734) ( 0.00, 0.00, 0.00) 11 (-26.673, -22.301, 4.179) (-26.670, -22.313, 4.011) ( 0.01, 0.05, 4.01) bond ( -1.917, -0.727, -0.074) ( -1.913, -0.722, -0.070) ( 0.20, 0.32, 0.03) angle (-29.136, -26.052, 2.735) (-29.134, -26.050, 2.736) ( 0.01, 0.01, 0.05) strbnd ( 4.010, 7.688, -1.200) ( 4.009, 7.687, -1.200) ( 0.01, 0.02, 0.04) torsion ( 0.015, 0.059, 0.642) ( 0.015, 0.059, 0.642) ( 0.00, 0.00, 0.01) oop ( 0.009, 0.064, 0.656) ( 0.007, 0.046, 0.483) ( 0.00, 0.11, 11.35) vdw ( 0.354, -2.969, 0.608) ( 0.354, -2.969, 0.608) ( 0.00, 0.00, 0.00) electro ( -0.008, -0.365, 0.812) ( -0.008, -0.365, 0.812) ( 0.00, 0.00, 0.00) 12 ( -2.353, 3.616, -2.204) ( -2.349, 3.623, -2.134) ( 0.16, 0.19, 3.21) bond ( -1.203, -0.681, 0.064) ( -1.200, -0.680, 0.064) ( 0.25, 0.07, 0.00) angle ( -3.337, 5.858, -0.289) ( -3.337, 5.858, -0.289) ( 0.00, 0.01, 0.00) strbnd ( 0.884, -1.534, 0.070) ( 0.884, -1.534, 0.070) ( 0.00, 0.00, 0.00) torsion ( -0.026, -0.127, -1.856) ( -0.026, -0.127, -1.856) ( 0.00, 0.00, 0.02) oop ( -0.003, -0.017, -0.242) ( -0.002, -0.012, -0.171) ( 0.00, 0.01, 1.70) vdw ( 0.644, 0.265, -0.021) ( 0.644, 0.265, -0.021) ( 0.00, 0.00, 0.00) electro ( 0.688, -0.147, 0.070) ( 0.688, -0.147, 0.070) ( 0.00, 0.00, 0.00) 13 ( -2.636, -4.315, -0.527) ( -2.633, -4.310, -0.502) ( 0.12, 0.11, 1.28) bond ( -1.376, 1.267, -0.103) ( -1.374, 1.269, -0.103) ( 0.15, 0.14, 0.00) angle ( -4.815, -5.170, 0.545) ( -4.815, -5.170, 0.545) ( 0.01, 0.01, 0.00) strbnd ( 1.880, 0.883, -0.174) ( 1.880, 0.883, -0.174) ( 0.00, 0.00, 0.00) torsion ( -0.019, -0.089, -0.837) ( -0.019, -0.089, -0.837) ( 0.00, 0.00, 0.03) oop ( -0.002, -0.010, -0.098) ( -0.002, -0.008, -0.074) ( 0.00, 0.00, 0.23) vdw ( 1.159, -0.292, -0.017) ( 1.159, -0.292, -0.017) ( 0.00, 0.00, 0.00) electro ( 0.537, -0.904, 0.158) ( 0.537, -0.904, 0.158) ( 0.00, 0.00, 0.00) 14 ( 26.387, 19.947, 15.099) ( 26.412, 20.010, 15.009) ( 0.09, 0.32, 0.60) bond ( 2.000, 0.807, 0.393) ( 2.004, 0.812, 0.397) ( 0.19, 0.36, 0.17) angle ( 29.017, 24.625, 15.667) ( 29.019, 24.627, 15.669) ( 0.01, 0.01, 0.01) strbnd ( -3.684, -7.464, -4.429) ( -3.685, -7.465, -4.430) ( 0.02, 0.01, 0.02) torsion ( -0.089, -0.284, 0.463) ( -0.089, -0.284, 0.463) ( 0.00, 0.00, 0.01) oop ( -0.074, -0.220, 0.362) ( -0.055, -0.162, 0.267) ( 0.14, 1.28, 3.46) vdw ( -0.663, 2.502, 1.775) ( -0.663, 2.502, 1.775) ( 0.00, 0.00, 0.00) electro ( -0.120, -0.020, 0.867) ( -0.120, -0.020, 0.867) ( 0.00, 0.00, 0.00) 15 ( 2.734, -4.218, -1.241) ( 2.755, -4.158, -1.336) ( 0.79, 1.41, 7.69) bond ( 1.169, 0.545, 0.557) ( 1.172, 0.545, 0.558) ( 0.23, 0.03, 0.03) angle ( 3.953, -5.603, -2.827) ( 3.953, -5.602, -2.827) ( 0.00, 0.01, 0.00) strbnd ( -0.998, 1.310, 0.666) ( -0.998, 1.310, 0.666) ( 0.00, 0.00, 0.00) torsion ( -0.049, -0.169, 0.268) ( -0.049, -0.169, 0.269) ( 0.00, 0.00, 0.01) oop ( -0.064, -0.204, 0.334) ( -0.045, -0.145, 0.237) ( 0.12, 1.19, 3.22) vdw ( -0.604, -0.224, -0.242) ( -0.604, -0.224, -0.242) ( 0.00, 0.00, 0.00) electro ( -0.672, 0.127, 0.003) ( -0.672, 0.127, 0.003) ( 0.00, 0.00, 0.00) 16 ( 2.391, 3.742, 2.202) ( 2.389, 3.731, 2.224) ( 0.08, 0.30, 0.99) bond ( 1.377, -1.119, -0.400) ( 1.379, -1.118, -0.400) ( 0.16, 0.13, 0.01) angle ( 4.447, 4.280, 3.375) ( 4.447, 4.280, 3.375) ( 0.01, 0.01, 0.01) strbnd ( -1.774, -0.686, -0.825) ( -1.774, -0.686, -0.825) ( 0.00, 0.00, 0.00) torsion ( 0.054, 0.148, -0.229) ( 0.054, 0.148, -0.229) ( 0.00, 0.00, 0.01) oop ( 0.018, 0.053, -0.087) ( 0.013, 0.040, -0.065) ( 0.01, 0.07, 0.18) vdw ( -1.150, 0.297, -0.072) ( -1.149, 0.297, -0.072) ( 0.00, 0.00, 0.00) electro ( -0.582, 0.770, 0.440) ( -0.582, 0.770, 0.440) ( 0.00, 0.00, 0.00) 17 ( 12.700, 29.735, 18.160) ( 12.714, 29.776, 18.099) ( 0.11, 0.14, 0.34) bond ( -3.169, 26.110, 15.008) ( -3.169, 26.113, 15.009) ( 0.01, 0.01, 0.01) angle ( 14.067, 0.347, 2.366) ( 14.068, 0.347, 2.366) ( 0.01, 0.00, 0.00) strbnd ( -0.226, 2.694, 1.435) ( -0.226, 2.694, 1.435) ( 0.00, 0.00, 0.00) torsion ( 0.187, 0.538, -0.897) ( 0.187, 0.538, -0.897) ( 0.00, 0.00, 0.01) oop ( -0.055, -0.172, 0.287) ( -0.042, -0.134, 0.224) ( 0.07, 0.65, 1.81) vdw ( -0.563, -0.467, -0.562) ( -0.563, -0.467, -0.562) ( 0.00, 0.00, 0.00) electro ( 2.460, 0.686, 0.523) ( 2.460, 0.686, 0.523) ( 0.00, 0.00, 0.00) 18 (-16.599, -32.980, 10.375) (-16.606, -32.943, 10.559) ( 0.04, 0.11, 1.78) bond ( 1.321, -29.709, 5.246) ( 1.321, -29.705, 5.247) ( 0.01, 0.01, 0.01) angle (-16.050, -0.489, 1.274) (-16.050, -0.489, 1.274) ( 0.01, 0.00, 0.00) strbnd ( 0.072, -3.233, 0.861) ( 0.072, -3.233, 0.861) ( 0.00, 0.00, 0.00) torsion ( -0.052, 0.751, 4.265) ( -0.052, 0.751, 4.266) ( 0.00, 0.00, 0.00) oop ( 0.009, -0.150, -0.851) ( 0.001, -0.118, -0.667) ( 0.01, 0.48, 15.66) vdw ( 0.603, 0.572, -0.221) ( 0.603, 0.572, -0.221) ( 0.00, 0.00, 0.00) electro ( -2.501, -0.722, -0.200) ( -2.501, -0.722, -0.200) ( 0.00, 0.00, 0.00) 19 ( -9.549, -16.055, -9.499) ( -9.547, -16.054, -9.498) ( 0.02, 0.01, 0.01) bond ( 6.549, -6.489, -5.236) ( 6.550, -6.488, -5.235) ( 0.02, 0.02, 0.02) angle (-15.891, -11.333, -5.837) (-15.890, -11.333, -5.837) ( 0.00, 0.00, 0.01) strbnd ( -1.046, 0.503, 0.436) ( -1.046, 0.503, 0.436) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.839, 1.264, 1.139) ( 0.839, 1.264, 1.139) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 20 ( -6.872, -6.628, -8.449) ( -6.870, -6.627, -8.448) ( 0.02, 0.01, 0.02) bond ( -7.287, 3.445, -8.054) ( -7.286, 3.445, -8.052) ( 0.02, 0.01, 0.02) angle ( -1.156, -10.327, -3.372) ( -1.156, -10.326, -3.372) ( 0.02, 0.01, 0.01) strbnd ( 1.415, -1.060, 1.430) ( 1.415, -1.060, 1.430) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.156, 1.313, 1.547) ( 0.156, 1.313, 1.547) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 21 ( -5.154, -11.419, -3.897) ( -5.153, -11.418, -3.895) ( 0.02, 0.01, 0.04) bond ( -5.951, -7.142, 6.246) ( -5.950, -7.141, 6.247) ( 0.02, 0.02, 0.02) angle ( -0.744, -6.990, -8.698) ( -0.743, -6.990, -8.698) ( 0.02, 0.00, 0.01) strbnd ( 1.377, 1.441, -1.809) ( 1.377, 1.441, -1.809) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.163, 1.273, 0.365) ( 0.163, 1.273, 0.365) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 ( 6.707, 14.950, -4.095) ( 6.709, 14.951, -4.094) ( 0.04, 0.00, 0.03) bond ( 10.180, 0.038, -5.182) ( 10.183, 0.038, -5.181) ( 0.02, 0.00, 0.01) angle ( -0.643, 16.864, -1.139) ( -0.642, 16.864, -1.139) ( 0.01, 0.00, 0.03) strbnd ( -2.565, 0.430, 1.327) ( -2.565, 0.430, 1.327) ( 0.00, 0.00, 0.00) torsion ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.266, -2.382, 0.899) ( -0.266, -2.382, 0.899) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( 7.712, 7.044, 4.929) ( 7.712, 7.045, 4.931) ( 0.01, 0.01, 0.05) bond ( 2.115, 4.636, 9.930) ( 2.115, 4.637, 9.932) ( 0.01, 0.01, 0.02) angle ( 6.274, 3.725, -3.075) ( 6.274, 3.725, -3.075) ( 0.01, 0.01, 0.00) strbnd ( -0.199, -0.342, -1.642) ( -0.199, -0.342, -1.642) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.477, -0.975, -0.284) ( -0.477, -0.975, -0.284) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( 10.798, 13.827, -7.791) ( 10.799, 13.829, -7.790) ( 0.01, 0.01, 0.02) bond ( -5.076, 7.231, -5.839) ( -5.075, 7.232, -5.838) ( 0.01, 0.02, 0.02) angle ( 15.920, 8.574, -3.218) ( 15.920, 8.575, -3.218) ( 0.00, 0.00, 0.01) strbnd ( 0.876, -0.556, 0.755) ( 0.876, -0.556, 0.755) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.922, -1.422, 0.511) ( -0.922, -1.422, 0.511) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 16 # gradients ok 17 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 75.919, 23.900, -8.357) ( 75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) bond ( 43.256, 7.487, -14.578) ( 43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) angle ( -0.077, 0.026, -0.013) ( -0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) strbnd ( 27.650, 7.696, -4.671) ( 27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) torsion ( -0.018, 0.018, 0.030) ( -0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) oop ( -0.004, 0.006, 0.012) ( -0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) vdw ( 5.113, 8.667, 10.865) ( 5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 2 ( -0.007, 70.694, -37.613) ( 0.000, 70.701, -37.611) ( 0.00, 0.01, 0.01) bond ( -0.003, 34.123, -31.161) ( 0.000, 34.128, -31.160) ( 0.00, 0.01, 0.00) angle ( -0.002, 0.021, -0.051) ( 0.000, 0.022, -0.051) ( 0.00, 0.00, 0.00) strbnd ( -0.001, 24.741, -15.277) ( -0.000, 24.742, -15.276) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.007, -0.022) ( 0.000, -0.006, -0.021) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.005, -0.010) ( 0.000, -0.005, -0.011) ( 0.00, 0.00, 0.00) vdw ( -0.000, 11.821, 8.908) ( 0.000, 11.821, 8.908) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( -0.007, -70.710, -37.613) ( -0.000, -70.701, -37.611) ( 0.00, 0.01, 0.01) bond ( -0.003, -34.133, -31.161) ( 0.000, -34.128, -31.160) ( 0.00, 0.01, 0.00) angle ( -0.002, -0.024, -0.051) ( 0.000, -0.022, -0.051) ( 0.00, 0.00, 0.00) strbnd ( -0.001, -24.743, -15.277) ( 0.000, -24.742, -15.276) ( 0.00, 0.00, 0.00) torsion ( -0.000, 0.006, -0.022) ( 0.000, 0.006, -0.021) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.005, -0.010) ( 0.000, 0.005, -0.011) ( 0.00, 0.00, 0.00) vdw ( -0.000, -11.821, 8.908) ( -0.000, -11.821, 8.908) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 4 ( 75.919, -23.913, -8.357) ( 75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) bond ( 43.256, -7.494, -14.578) ( 43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) angle ( -0.077, -0.029, -0.013) ( -0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) strbnd ( 27.650, -7.698, -4.671) ( 27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) torsion ( -0.018, -0.018, 0.030) ( -0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) oop ( -0.004, -0.006, 0.012) ( -0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) vdw ( 5.113, -8.667, 10.865) ( 5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 (-38.554, 47.292, -52.215) (-38.549, 47.297, -52.209) ( 0.01, 0.01, 0.01) bond (-12.136, 26.876, -35.755) (-12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) angle ( -0.007, 0.078, 0.012) ( -0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) strbnd (-12.414, 17.157, -20.001) (-12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) torsion ( 0.017, 0.014, -0.020) ( 0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) oop ( 0.005, 0.002, -0.006) ( 0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) vdw (-14.019, 3.164, 3.556) (-14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 6 (-38.554, -47.306, -52.215) (-38.549, -47.297, -52.209) ( 0.01, 0.02, 0.01) bond (-12.136, -26.884, -35.755) (-12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) angle ( -0.007, -0.081, 0.012) ( -0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) strbnd (-12.414, -17.160, -20.001) (-12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) torsion ( 0.017, -0.014, -0.020) ( 0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) oop ( 0.005, -0.002, -0.006) ( 0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) vdw (-14.019, -3.165, 3.556) (-14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 7 (-75.934, 23.900, -8.357) (-75.928, 23.905, -8.353) ( 0.01, 0.02, 0.04) bond (-43.264, 7.487, -14.578) (-43.260, 7.491, -14.577) ( 0.01, 0.04, 0.01) angle ( 0.075, 0.026, -0.013) ( 0.076, 0.028, -0.012) ( 0.01, 0.00, 0.00) strbnd (-27.652, 7.696, -4.671) (-27.651, 7.697, -4.670) ( 0.00, 0.01, 0.01) torsion ( 0.017, 0.018, 0.030) ( 0.018, 0.018, 0.030) ( 0.00, 0.00, 0.00) oop ( 0.004, 0.006, 0.012) ( 0.002, 0.005, 0.011) ( 0.00, 0.00, 0.00) vdw ( -5.113, 8.667, 10.865) ( -5.113, 8.667, 10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 8 (-75.934, -23.913, -8.357) (-75.928, -23.905, -8.353) ( 0.01, 0.03, 0.04) bond (-43.264, -7.494, -14.578) (-43.260, -7.491, -14.577) ( 0.01, 0.04, 0.01) angle ( 0.075, -0.029, -0.013) ( 0.076, -0.028, -0.012) ( 0.01, 0.00, 0.00) strbnd (-27.652, -7.698, -4.671) (-27.651, -7.697, -4.670) ( 0.00, 0.01, 0.01) torsion ( 0.017, -0.018, 0.030) ( 0.018, -0.018, 0.030) ( 0.00, 0.00, 0.00) oop ( 0.004, -0.006, 0.012) ( 0.002, -0.005, 0.011) ( 0.00, 0.00, 0.00) vdw ( -5.113, -8.667, 10.865) ( -5.113, -8.667, 10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 9 ( 47.292, 52.205, 38.542) ( 47.297, 52.209, 38.549) ( 0.01, 0.01, 0.02) bond ( 26.876, 35.751, 12.130) ( 26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) angle ( 0.078, -0.014, 0.005) ( 0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) strbnd ( 17.157, 20.000, 12.412) ( 17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) torsion ( 0.014, 0.019, -0.017) ( 0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) oop ( 0.002, 0.006, -0.006) ( 0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) vdw ( 3.164, -3.556, 14.019) ( 3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 10 ( 8.348, 75.919, 23.900) ( 8.353, 75.928, 23.905) ( 0.06, 0.01, 0.02) bond ( 14.575, 43.256, 7.487) ( 14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) angle ( 0.011, -0.077, 0.026) ( 0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) strbnd ( 4.670, 27.650, 7.696) ( 4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) torsion ( -0.031, -0.018, 0.018) ( -0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) oop ( -0.012, -0.004, 0.006) ( -0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) vdw (-10.865, 5.113, 8.667) (-10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 11 ( 8.348, -75.934, 23.900) ( 8.353, -75.928, 23.905) ( 0.06, 0.01, 0.02) bond ( 14.575, -43.264, 7.487) ( 14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) angle ( 0.011, 0.075, 0.026) ( 0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) strbnd ( 4.670, -27.652, 7.696) ( 4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) torsion ( -0.031, 0.017, 0.018) ( -0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) oop ( -0.012, 0.004, 0.006) ( -0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) vdw (-10.865, -5.113, 8.667) (-10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 12 ( 47.292, -52.215, 38.542) ( 47.297, -52.209, 38.549) ( 0.01, 0.01, 0.02) bond ( 26.876, -35.755, 12.130) ( 26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) angle ( 0.078, 0.012, 0.005) ( 0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) strbnd ( 17.157, -20.001, 12.412) ( 17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) torsion ( 0.014, -0.020, -0.017) ( 0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) oop ( 0.002, -0.006, -0.006) ( 0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) vdw ( 3.164, 3.556, 14.019) ( 3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 ( 52.205, -38.554, -47.306) ( 52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) bond ( 35.751, -12.136, -26.884) ( 35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) angle ( -0.014, -0.007, -0.081) ( -0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) strbnd ( 20.000, -12.414, -17.160) ( 20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) torsion ( 0.019, 0.017, -0.014) ( 0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) oop ( 0.006, 0.005, -0.002) ( 0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) vdw ( -3.556, -14.019, -3.165) ( -3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 14 (-23.913, 8.348, -75.934) (-23.905, 8.353, -75.928) ( 0.03, 0.06, 0.01) bond ( -7.494, 14.575, -43.264) ( -7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) angle ( -0.029, 0.011, 0.075) ( -0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) strbnd ( -7.698, 4.670, -27.652) ( -7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) torsion ( -0.018, -0.031, 0.017) ( -0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) oop ( -0.006, -0.012, 0.004) ( -0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) vdw ( -8.667, -10.865, -5.113) ( -8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 15 ( 52.205, -38.554, 47.292) ( 52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) bond ( 35.751, -12.136, 26.876) ( 35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) angle ( -0.014, -0.007, 0.078) ( -0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) strbnd ( 20.000, -12.414, 17.157) ( 20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) torsion ( 0.019, 0.017, 0.014) ( 0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) oop ( 0.006, 0.005, 0.002) ( 0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) vdw ( -3.556, -14.019, 3.164) ( -3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 16 (-70.710, 37.607, -0.007) (-70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) bond (-34.133, 31.159, -0.003) (-34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) angle ( -0.024, 0.050, -0.002) ( -0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) strbnd (-24.743, 15.275, -0.001) (-24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) torsion ( 0.006, 0.020, -0.000) ( 0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) oop ( 0.005, 0.010, -0.000) ( 0.005, 0.011, -0.000) ( 0.00, 0.00, 0.00) vdw (-11.821, -8.908, -0.000) (-11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 17 ( 38.542, -47.306, -52.215) ( 38.549, -47.297, -52.209) ( 0.02, 0.02, 0.01) bond ( 12.130, -26.884, -35.755) ( 12.133, -26.880, -35.753) ( 0.03, 0.01, 0.01) angle ( 0.005, -0.081, 0.012) ( 0.006, -0.079, 0.013) ( 0.00, 0.01, 0.00) strbnd ( 12.412, -17.160, -20.001) ( 12.413, -17.159, -20.000) ( 0.01, 0.01, 0.00) torsion ( -0.017, -0.014, -0.020) ( -0.017, -0.014, -0.019) ( 0.00, 0.00, 0.00) oop ( -0.006, -0.002, -0.006) ( -0.004, -0.001, -0.005) ( 0.00, 0.00, 0.00) vdw ( 14.019, -3.165, 3.556) ( 14.019, -3.165, 3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 18 (-47.306, 52.205, 38.542) (-47.297, 52.209, 38.549) ( 0.02, 0.01, 0.02) bond (-26.884, 35.751, 12.130) (-26.880, 35.753, 12.133) ( 0.01, 0.01, 0.03) angle ( -0.081, -0.014, 0.005) ( -0.079, -0.013, 0.006) ( 0.01, 0.00, 0.00) strbnd (-17.160, 20.000, 12.412) (-17.159, 20.000, 12.413) ( 0.01, 0.00, 0.01) torsion ( -0.014, 0.019, -0.017) ( -0.014, 0.019, -0.017) ( 0.00, 0.00, 0.00) oop ( -0.002, 0.006, -0.006) ( -0.001, 0.005, -0.004) ( 0.00, 0.00, 0.00) vdw ( -3.165, -3.556, 14.019) ( -3.165, -3.556, 14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 19 (-23.913, 8.348, 75.919) (-23.905, 8.353, 75.928) ( 0.03, 0.06, 0.01) bond ( -7.494, 14.575, 43.256) ( -7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) angle ( -0.029, 0.011, -0.077) ( -0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) strbnd ( -7.698, 4.670, 27.650) ( -7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) torsion ( -0.018, -0.031, -0.018) ( -0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) oop ( -0.006, -0.012, -0.004) ( -0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) vdw ( -8.667, -10.865, 5.113) ( -8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 20 ( 23.900, 8.348, -75.934) ( 23.905, 8.353, -75.928) ( 0.02, 0.06, 0.01) bond ( 7.487, 14.575, -43.264) ( 7.491, 14.577, -43.260) ( 0.04, 0.01, 0.01) angle ( 0.026, 0.011, 0.075) ( 0.028, 0.012, 0.076) ( 0.00, 0.00, 0.01) strbnd ( 7.696, 4.670, -27.652) ( 7.697, 4.670, -27.651) ( 0.01, 0.01, 0.00) torsion ( 0.018, -0.031, 0.017) ( 0.018, -0.030, 0.018) ( 0.00, 0.00, 0.00) oop ( 0.006, -0.012, 0.004) ( 0.005, -0.011, 0.002) ( 0.00, 0.00, 0.00) vdw ( 8.667, -10.865, -5.113) ( 8.667, -10.865, -5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 21 ( 38.542, 47.292, -52.215) ( 38.549, 47.297, -52.209) ( 0.02, 0.01, 0.01) bond ( 12.130, 26.876, -35.755) ( 12.133, 26.880, -35.753) ( 0.03, 0.01, 0.01) angle ( 0.005, 0.078, 0.012) ( 0.006, 0.079, 0.013) ( 0.00, 0.01, 0.00) strbnd ( 12.412, 17.157, -20.001) ( 12.413, 17.159, -20.000) ( 0.01, 0.01, 0.00) torsion ( -0.017, 0.014, -0.020) ( -0.017, 0.014, -0.019) ( 0.00, 0.00, 0.00) oop ( -0.006, 0.002, -0.006) ( -0.004, 0.001, -0.005) ( 0.00, 0.00, 0.00) vdw ( 14.019, 3.164, 3.556) ( 14.019, 3.165, 3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 ( 37.607, -0.007, 70.694) ( 37.611, 0.000, 70.701) ( 0.01, 0.00, 0.01) bond ( 31.159, -0.003, 34.123) ( 31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) angle ( 0.050, -0.002, 0.021) ( 0.051, 0.000, 0.022) ( 0.00, 0.00, 0.00) strbnd ( 15.275, -0.001, 24.741) ( 15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) torsion ( 0.020, -0.000, -0.007) ( 0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) oop ( 0.010, -0.000, -0.005) ( 0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) vdw ( -8.908, -0.000, 11.821) ( -8.908, 0.000, 11.821) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( 52.205, 38.542, -47.306) ( 52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) bond ( 35.751, 12.130, -26.884) ( 35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) angle ( -0.014, 0.005, -0.081) ( -0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) strbnd ( 20.000, 12.412, -17.160) ( 20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) torsion ( 0.019, -0.017, -0.014) ( 0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) oop ( 0.006, -0.006, -0.002) ( 0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) vdw ( -3.556, 14.019, -3.165) ( -3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( -8.357, -75.934, 23.900) ( -8.353, -75.928, 23.905) ( 0.04, 0.01, 0.02) bond (-14.578, -43.264, 7.487) (-14.577, -43.260, 7.491) ( 0.01, 0.01, 0.04) angle ( -0.013, 0.075, 0.026) ( -0.012, 0.076, 0.028) ( 0.00, 0.01, 0.00) strbnd ( -4.671, -27.652, 7.696) ( -4.670, -27.651, 7.697) ( 0.01, 0.00, 0.01) torsion ( 0.030, 0.017, 0.018) ( 0.030, 0.018, 0.018) ( 0.00, 0.00, 0.00) oop ( 0.012, 0.004, 0.006) ( 0.011, 0.002, 0.005) ( 0.00, 0.00, 0.00) vdw ( 10.865, -5.113, 8.667) ( 10.865, -5.113, 8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 (-23.913, -8.357, -75.934) (-23.905, -8.353, -75.928) ( 0.03, 0.04, 0.01) bond ( -7.494, -14.578, -43.264) ( -7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) angle ( -0.029, -0.013, 0.075) ( -0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) strbnd ( -7.698, -4.671, -27.652) ( -7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) torsion ( -0.018, 0.030, 0.017) ( -0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) oop ( -0.006, 0.012, 0.004) ( -0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) vdw ( -8.667, 10.865, -5.113) ( -8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 (-47.306, -52.215, 38.542) (-47.297, -52.209, 38.549) ( 0.02, 0.01, 0.02) bond (-26.884, -35.755, 12.130) (-26.880, -35.753, 12.133) ( 0.01, 0.01, 0.03) angle ( -0.081, 0.012, 0.005) ( -0.079, 0.013, 0.006) ( 0.01, 0.00, 0.00) strbnd (-17.160, -20.001, 12.412) (-17.159, -20.000, 12.413) ( 0.01, 0.00, 0.01) torsion ( -0.014, -0.020, -0.017) ( -0.014, -0.019, -0.017) ( 0.00, 0.00, 0.00) oop ( -0.002, -0.006, -0.006) ( -0.001, -0.005, -0.004) ( 0.00, 0.00, 0.00) vdw ( -3.165, 3.556, 14.019) ( -3.165, 3.556, 14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 27 ( 52.205, 38.542, 47.292) ( 52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) bond ( 35.751, 12.130, 26.876) ( 35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) angle ( -0.014, 0.005, 0.078) ( -0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) strbnd ( 20.000, 12.412, 17.157) ( 20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) torsion ( 0.019, -0.017, 0.014) ( 0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) oop ( 0.006, -0.006, 0.002) ( 0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) vdw ( -3.556, 14.019, 3.164) ( -3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 28 (-70.710, -37.613, -0.007) (-70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) bond (-34.133, -31.161, -0.003) (-34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) angle ( -0.024, -0.051, -0.002) ( -0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) strbnd (-24.743, -15.277, -0.001) (-24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) torsion ( 0.006, -0.022, -0.000) ( 0.006, -0.021, -0.000) ( 0.00, 0.00, 0.00) oop ( 0.005, -0.010, -0.000) ( 0.005, -0.011, -0.000) ( 0.00, 0.00, 0.00) vdw (-11.821, 8.908, -0.000) (-11.821, 8.908, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 29 ( 23.900, -8.357, -75.934) ( 23.905, -8.353, -75.928) ( 0.02, 0.04, 0.01) bond ( 7.487, -14.578, -43.264) ( 7.491, -14.577, -43.260) ( 0.04, 0.01, 0.01) angle ( 0.026, -0.013, 0.075) ( 0.028, -0.012, 0.076) ( 0.00, 0.00, 0.01) strbnd ( 7.696, -4.671, -27.652) ( 7.697, -4.670, -27.651) ( 0.01, 0.01, 0.00) torsion ( 0.018, 0.030, 0.017) ( 0.018, 0.030, 0.018) ( 0.00, 0.00, 0.00) oop ( 0.006, 0.012, 0.004) ( 0.005, 0.011, 0.002) ( 0.00, 0.00, 0.00) vdw ( 8.667, 10.865, -5.113) ( 8.667, 10.865, -5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( 70.694, 37.607, -0.007) ( 70.701, 37.611, 0.000) ( 0.01, 0.01, 0.00) bond ( 34.123, 31.159, -0.003) ( 34.128, 31.160, 0.000) ( 0.01, 0.00, 0.00) angle ( 0.021, 0.050, -0.002) ( 0.022, 0.051, -0.000) ( 0.00, 0.00, 0.00) strbnd ( 24.741, 15.275, -0.001) ( 24.742, 15.276, 0.000) ( 0.00, 0.00, 0.00) torsion ( -0.007, 0.020, -0.000) ( -0.006, 0.021, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.005, 0.010, -0.000) ( -0.005, 0.011, 0.000) ( 0.00, 0.00, 0.00) vdw ( 11.821, -8.908, -0.000) ( 11.821, -8.908, 0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 31 ( 37.607, -0.007, -70.710) ( 37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) bond ( 31.159, -0.003, -34.133) ( 31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) angle ( 0.050, -0.002, -0.024) ( 0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) strbnd ( 15.275, -0.001, -24.743) ( 15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) torsion ( 0.020, -0.000, 0.006) ( 0.021, -0.000, 0.006) ( 0.00, 0.00, 0.00) oop ( 0.010, -0.000, 0.005) ( 0.011, -0.000, 0.005) ( 0.00, 0.00, 0.00) vdw ( -8.908, -0.000, -11.821) ( -8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 32 ( -8.357, 75.919, 23.900) ( -8.353, 75.928, 23.905) ( 0.04, 0.01, 0.02) bond (-14.578, 43.256, 7.487) (-14.577, 43.260, 7.491) ( 0.01, 0.01, 0.04) angle ( -0.013, -0.077, 0.026) ( -0.012, -0.076, 0.028) ( 0.00, 0.01, 0.00) strbnd ( -4.671, 27.650, 7.696) ( -4.670, 27.651, 7.697) ( 0.01, 0.00, 0.01) torsion ( 0.030, -0.018, 0.018) ( 0.030, -0.018, 0.018) ( 0.00, 0.00, 0.00) oop ( 0.012, -0.004, 0.006) ( 0.011, -0.002, 0.005) ( 0.00, 0.00, 0.00) vdw ( 10.865, 5.113, 8.667) ( 10.865, 5.113, 8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 33 (-23.913, -8.357, 75.919) (-23.905, -8.353, 75.928) ( 0.03, 0.04, 0.01) bond ( -7.494, -14.578, 43.256) ( -7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) angle ( -0.029, -0.013, -0.077) ( -0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) strbnd ( -7.698, -4.671, 27.650) ( -7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) torsion ( -0.018, 0.030, -0.018) ( -0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) oop ( -0.006, 0.012, -0.004) ( -0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) vdw ( -8.667, 10.865, 5.113) ( -8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 34 ( 70.694, -37.613, -0.007) ( 70.701, -37.611, -0.000) ( 0.01, 0.01, 0.00) bond ( 34.123, -31.161, -0.003) ( 34.128, -31.160, 0.000) ( 0.01, 0.00, 0.00) angle ( 0.021, -0.051, -0.002) ( 0.022, -0.051, -0.000) ( 0.00, 0.00, 0.00) strbnd ( 24.741, -15.277, -0.001) ( 24.742, -15.276, 0.000) ( 0.00, 0.00, 0.00) torsion ( -0.007, -0.022, -0.000) ( -0.006, -0.021, 0.000) ( 0.00, 0.00, 0.00) oop ( -0.005, -0.010, -0.000) ( -0.005, -0.011, 0.000) ( 0.00, 0.00, 0.00) vdw ( 11.821, 8.908, -0.000) ( 11.821, 8.908, -0.000) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 35 (-52.215, 38.542, -47.306) (-52.209, 38.549, -47.297) ( 0.01, 0.02, 0.02) bond (-35.755, 12.130, -26.884) (-35.753, 12.133, -26.880) ( 0.01, 0.03, 0.01) angle ( 0.012, 0.005, -0.081) ( 0.013, 0.006, -0.079) ( 0.00, 0.00, 0.01) strbnd (-20.001, 12.412, -17.160) (-20.000, 12.413, -17.159) ( 0.00, 0.01, 0.01) torsion ( -0.020, -0.017, -0.014) ( -0.019, -0.017, -0.014) ( 0.00, 0.00, 0.00) oop ( -0.006, -0.006, -0.002) ( -0.005, -0.004, -0.001) ( 0.00, 0.00, 0.00) vdw ( 3.556, 14.019, -3.165) ( 3.556, 14.019, -3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 36 (-52.215, 38.542, 47.292) (-52.209, 38.549, 47.297) ( 0.01, 0.02, 0.01) bond (-35.755, 12.130, 26.876) (-35.753, 12.133, 26.880) ( 0.01, 0.03, 0.01) angle ( 0.012, 0.005, 0.078) ( 0.013, 0.006, 0.079) ( 0.00, 0.00, 0.01) strbnd (-20.001, 12.412, 17.157) (-20.000, 12.413, 17.159) ( 0.00, 0.01, 0.01) torsion ( -0.020, -0.017, 0.014) ( -0.019, -0.017, 0.014) ( 0.00, 0.00, 0.00) oop ( -0.006, -0.006, 0.002) ( -0.005, -0.004, 0.001) ( 0.00, 0.00, 0.00) vdw ( 3.556, 14.019, 3.164) ( 3.556, 14.019, 3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 37 (-37.613, -0.007, 70.694) (-37.611, -0.000, 70.701) ( 0.01, 0.00, 0.01) bond (-31.161, -0.003, 34.123) (-31.160, 0.000, 34.128) ( 0.00, 0.00, 0.01) angle ( -0.051, -0.002, 0.021) ( -0.051, -0.000, 0.022) ( 0.00, 0.00, 0.00) strbnd (-15.277, -0.001, 24.741) (-15.276, 0.000, 24.742) ( 0.00, 0.00, 0.00) torsion ( -0.022, -0.000, -0.007) ( -0.021, 0.000, -0.006) ( 0.00, 0.00, 0.00) oop ( -0.010, -0.000, -0.005) ( -0.011, 0.000, -0.005) ( 0.00, 0.00, 0.00) vdw ( 8.908, -0.000, 11.821) ( 8.908, -0.000, 11.821) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 38 (-52.215, -38.554, -47.306) (-52.209, -38.549, -47.297) ( 0.01, 0.01, 0.02) bond (-35.755, -12.136, -26.884) (-35.753, -12.133, -26.880) ( 0.01, 0.03, 0.01) angle ( 0.012, -0.007, -0.081) ( 0.013, -0.006, -0.079) ( 0.00, 0.00, 0.01) strbnd (-20.001, -12.414, -17.160) (-20.000, -12.413, -17.159) ( 0.00, 0.01, 0.01) torsion ( -0.020, 0.017, -0.014) ( -0.019, 0.017, -0.014) ( 0.00, 0.00, 0.00) oop ( -0.006, 0.005, -0.002) ( -0.005, 0.004, -0.001) ( 0.00, 0.00, 0.00) vdw ( 3.556, -14.019, -3.165) ( 3.556, -14.019, -3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 39 (-52.215, -38.554, 47.292) (-52.209, -38.549, 47.297) ( 0.01, 0.01, 0.01) bond (-35.755, -12.136, 26.876) (-35.753, -12.133, 26.880) ( 0.01, 0.03, 0.01) angle ( 0.012, -0.007, 0.078) ( 0.013, -0.006, 0.079) ( 0.00, 0.00, 0.01) strbnd (-20.001, -12.414, 17.157) (-20.000, -12.413, 17.159) ( 0.00, 0.01, 0.01) torsion ( -0.020, 0.017, 0.014) ( -0.019, 0.017, 0.014) ( 0.00, 0.00, 0.00) oop ( -0.006, 0.005, 0.002) ( -0.005, 0.004, 0.001) ( 0.00, 0.00, 0.00) vdw ( 3.556, -14.019, 3.164) ( 3.556, -14.019, 3.165) ( 0.00, 0.00, 0.01) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 40 ( 23.900, -8.357, 75.919) ( 23.905, -8.353, 75.928) ( 0.02, 0.04, 0.01) bond ( 7.487, -14.578, 43.256) ( 7.491, -14.577, 43.260) ( 0.04, 0.01, 0.01) angle ( 0.026, -0.013, -0.077) ( 0.028, -0.012, -0.076) ( 0.00, 0.00, 0.01) strbnd ( 7.696, -4.671, 27.650) ( 7.697, -4.670, 27.651) ( 0.01, 0.01, 0.00) torsion ( 0.018, 0.030, -0.018) ( 0.018, 0.030, -0.018) ( 0.00, 0.00, 0.00) oop ( 0.006, 0.012, -0.004) ( 0.005, 0.011, -0.002) ( 0.00, 0.00, 0.00) vdw ( 8.667, 10.865, 5.113) ( 8.667, 10.865, 5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 41 (-54.913, -35.524, -24.139) (-54.905, -35.518, -24.134) ( 0.02, 0.02, 0.02) bond (-26.884, -35.755, -12.136) (-26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) angle ( 8.310, 2.328, 1.428) ( 8.312, 2.330, 1.429) ( 0.02, 0.05, 0.09) strbnd (-33.157, -3.794, -2.400) (-33.157, -3.793, -2.399) ( 0.00, 0.02, 0.04) torsion ( -0.015, -1.854, 2.983) ( -0.015, -1.853, 2.983) ( 0.00, 0.03, 0.01) oop ( -0.002, -0.006, 0.005) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) vdw ( -3.165, 3.556, -14.019) ( -3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 42 ( 3.504, 53.443, 17.121) ( 3.509, 53.448, 17.126) ( 0.15, 0.01, 0.02) bond (-12.452, 26.530, 26.356) (-12.448, 26.533, 26.357) ( 0.04, 0.01, 0.01) angle ( -9.977, -5.385, -2.072) ( -9.975, -5.383, -2.071) ( 0.02, 0.04, 0.05) strbnd ( 29.601, 21.773, 10.437) ( 29.601, 21.772, 10.438) ( 0.00, 0.00, 0.00) torsion ( 1.442, 1.853, -6.723) ( 1.442, 1.853, -6.722) ( 0.02, 0.02, 0.01) oop ( 0.004, 0.006, -0.012) ( 0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) vdw ( -5.113, 8.667, -10.865) ( -5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 43 ( 47.292, -52.215, -38.554) ( 47.297, -52.209, -38.549) ( 0.01, 0.01, 0.01) bond ( 26.876, -35.755, -12.136) ( 26.880, -35.753, -12.133) ( 0.01, 0.01, 0.03) angle ( 0.078, 0.012, -0.007) ( 0.079, 0.013, -0.006) ( 0.01, 0.00, 0.00) strbnd ( 17.157, -20.001, -12.414) ( 17.159, -20.000, -12.413) ( 0.01, 0.00, 0.01) torsion ( 0.014, -0.020, 0.017) ( 0.014, -0.019, 0.017) ( 0.00, 0.00, 0.00) oop ( 0.002, -0.006, 0.005) ( 0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) vdw ( 3.164, 3.556, -14.019) ( 3.165, 3.556, -14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 44 ( 8.348, 75.919, -23.913) ( 8.353, 75.928, -23.905) ( 0.06, 0.01, 0.03) bond ( 14.575, 43.256, -7.494) ( 14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) angle ( 0.011, -0.077, -0.029) ( 0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) strbnd ( 4.670, 27.650, -7.698) ( 4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) torsion ( -0.031, -0.018, -0.018) ( -0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) oop ( -0.012, -0.004, -0.006) ( -0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) vdw (-10.865, 5.113, -8.667) (-10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 45 ( -8.357, 75.919, -23.913) ( -8.353, 75.928, -23.905) ( 0.04, 0.01, 0.03) bond (-14.578, 43.256, -7.494) (-14.577, 43.260, -7.491) ( 0.01, 0.01, 0.04) angle ( -0.013, -0.077, -0.029) ( -0.012, -0.076, -0.028) ( 0.00, 0.01, 0.00) strbnd ( -4.671, 27.650, -7.698) ( -4.670, 27.651, -7.697) ( 0.01, 0.00, 0.01) torsion ( 0.030, -0.018, -0.018) ( 0.030, -0.018, -0.018) ( 0.00, 0.00, 0.00) oop ( 0.012, -0.004, -0.006) ( 0.011, -0.002, -0.005) ( 0.00, 0.00, 0.00) vdw ( 10.865, 5.113, -8.667) ( 10.865, 5.113, -8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 46 ( 8.348, -75.934, -23.913) ( 8.353, -75.928, -23.905) ( 0.06, 0.01, 0.03) bond ( 14.575, -43.264, -7.494) ( 14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) angle ( 0.011, 0.075, -0.029) ( 0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) strbnd ( 4.670, -27.652, -7.698) ( 4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) torsion ( -0.031, 0.017, -0.018) ( -0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) oop ( -0.012, 0.004, -0.006) ( -0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) vdw (-10.865, -5.113, -8.667) (-10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 47 (-38.554, -47.306, 52.205) (-38.549, -47.297, 52.209) ( 0.01, 0.02, 0.01) bond (-12.136, -26.884, 35.751) (-12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) angle ( -0.007, -0.081, -0.014) ( -0.006, -0.079, -0.013) ( 0.00, 0.01, 0.00) strbnd (-12.414, -17.160, 20.000) (-12.413, -17.159, 20.000) ( 0.01, 0.01, 0.00) torsion ( 0.017, -0.014, 0.019) ( 0.017, -0.014, 0.019) ( 0.00, 0.00, 0.00) oop ( 0.005, -0.002, 0.006) ( 0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) vdw (-14.019, -3.165, -3.556) (-14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 48 (-37.613, -0.007, -70.710) (-37.611, 0.000, -70.701) ( 0.01, 0.00, 0.01) bond (-31.161, -0.003, -34.133) (-31.160, 0.000, -34.128) ( 0.00, 0.00, 0.01) angle ( -0.051, -0.002, -0.024) ( -0.051, 0.000, -0.022) ( 0.00, 0.00, 0.00) strbnd (-15.277, -0.001, -24.743) (-15.276, 0.000, -24.742) ( 0.00, 0.00, 0.00) torsion ( -0.022, -0.000, 0.006) ( -0.021, 0.000, 0.006) ( 0.00, 0.00, 0.00) oop ( -0.010, -0.000, 0.005) ( -0.011, 0.000, 0.005) ( 0.00, 0.00, 0.00) vdw ( 8.908, -0.000, -11.821) ( 8.908, 0.000, -11.821) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 49 ( 23.900, 8.348, 75.919) ( 23.905, 8.353, 75.928) ( 0.02, 0.06, 0.01) bond ( 7.487, 14.575, 43.256) ( 7.491, 14.577, 43.260) ( 0.04, 0.01, 0.01) angle ( 0.026, 0.011, -0.077) ( 0.028, 0.012, -0.076) ( 0.00, 0.00, 0.01) strbnd ( 7.696, 4.670, 27.650) ( 7.697, 4.670, 27.651) ( 0.01, 0.01, 0.00) torsion ( 0.018, -0.031, -0.018) ( 0.018, -0.030, -0.018) ( 0.00, 0.00, 0.00) oop ( 0.006, -0.012, -0.004) ( 0.005, -0.011, -0.002) ( 0.00, 0.00, 0.00) vdw ( 8.667, -10.865, 5.113) ( 8.667, -10.865, 5.113) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 50 (-54.913, 35.514, -24.139) (-54.905, 35.518, -24.134) ( 0.02, 0.01, 0.02) bond (-26.884, 35.751, -12.136) (-26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) angle ( 8.310, -2.331, 1.428) ( 8.312, -2.330, 1.429) ( 0.02, 0.05, 0.09) strbnd (-33.157, 3.792, -2.400) (-33.157, 3.793, -2.399) ( 0.00, 0.02, 0.04) torsion ( -0.015, 1.852, 2.983) ( -0.015, 1.853, 2.983) ( 0.00, 0.03, 0.01) oop ( -0.002, 0.006, 0.005) ( -0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) vdw ( -3.165, -3.556, -14.019) ( -3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 51 ( -8.357, -75.934, -23.913) ( -8.353, -75.928, -23.905) ( 0.04, 0.01, 0.03) bond (-14.578, -43.264, -7.494) (-14.577, -43.260, -7.491) ( 0.01, 0.01, 0.04) angle ( -0.013, 0.075, -0.029) ( -0.012, 0.076, -0.028) ( 0.00, 0.01, 0.00) strbnd ( -4.671, -27.652, -7.698) ( -4.670, -27.651, -7.697) ( 0.01, 0.00, 0.01) torsion ( 0.030, 0.017, -0.018) ( 0.030, 0.018, -0.018) ( 0.00, 0.00, 0.00) oop ( 0.012, 0.004, -0.006) ( 0.011, 0.002, -0.005) ( 0.00, 0.00, 0.00) vdw ( 10.865, -5.113, -8.667) ( 10.865, -5.113, -8.667) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 52 ( 37.554, -49.775, 56.098) ( 37.561, -49.767, 56.102) ( 0.02, 0.02, 0.01) bond ( 12.130, -26.884, 35.751) ( 12.133, -26.880, 35.753) ( 0.03, 0.01, 0.01) angle ( 1.671, 3.010, 0.624) ( 1.672, 3.012, 0.625) ( 0.08, 0.05, 0.07) strbnd ( 11.182, -22.719, 19.528) ( 11.183, -22.718, 19.529) ( 0.01, 0.00, 0.00) torsion ( -1.441, -0.016, 3.746) ( -1.441, -0.015, 3.746) ( 0.03, 0.00, 0.02) oop ( -0.006, -0.002, 0.006) ( -0.004, -0.001, 0.005) ( 0.00, 0.00, 0.00) vdw ( 14.019, -3.165, -3.556) ( 14.019, -3.165, -3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 53 ( 57.517, 33.960, 18.680) ( 57.526, 33.965, 18.684) ( 0.02, 0.02, 0.02) bond ( 43.256, 7.487, 14.575) ( 43.260, 7.491, 14.577) ( 0.01, 0.04, 0.01) angle ( -5.272, -6.052, -3.749) ( -5.270, -6.051, -3.748) ( 0.03, 0.03, 0.03) strbnd ( 14.441, 25.672, 15.790) ( 14.443, 25.673, 15.791) ( 0.01, 0.00, 0.00) torsion ( -0.018, -1.820, 2.940) ( -0.018, -1.820, 2.940) ( 0.00, 0.02, 0.02) oop ( -0.004, 0.006, -0.012) ( -0.002, 0.005, -0.011) ( 0.00, 0.00, 0.00) vdw ( 5.113, 8.667, -10.865) ( 5.113, 8.667, -10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 54 (-52.445, 20.194, 0.196) (-52.439, 20.201, 0.199) ( 0.01, 0.03, 0.06) bond (-30.817, 15.080, 19.379) (-30.813, 15.086, 19.380) ( 0.01, 0.03, 0.00) angle ( 5.186, 6.102, 3.821) ( 5.188, 6.103, 3.822) ( 0.04, 0.03, 0.02) strbnd (-26.815, -14.634, -11.154) (-26.815, -14.635, -11.154) ( 0.00, 0.00, 0.00) torsion ( 0.000, 1.831, -2.952) ( 0.001, 1.831, -2.951) ( 0.00, 0.01, 0.02) oop ( -0.000, -0.005, 0.010) ( -0.000, -0.005, 0.011) ( 0.00, 0.00, 0.00) vdw ( -0.000, 11.821, -8.908) ( 0.000, 11.821, -8.908) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 55 ( 37.554, 49.762, 56.098) ( 37.561, 49.767, 56.102) ( 0.02, 0.01, 0.01) bond ( 12.130, 26.876, 35.751) ( 12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) angle ( 1.671, -3.013, 0.624) ( 1.672, -3.012, 0.625) ( 0.08, 0.05, 0.07) strbnd ( 11.182, 22.717, 19.528) ( 11.183, 22.718, 19.529) ( 0.01, 0.00, 0.00) torsion ( -1.441, 0.015, 3.746) ( -1.441, 0.015, 3.746) ( 0.03, 0.00, 0.02) oop ( -0.006, 0.002, 0.006) ( -0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) vdw ( 14.019, 3.164, -3.556) ( 14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 56 (-38.554, 47.292, 52.205) (-38.549, 47.297, 52.209) ( 0.01, 0.01, 0.01) bond (-12.136, 26.876, 35.751) (-12.133, 26.880, 35.753) ( 0.03, 0.01, 0.01) angle ( -0.007, 0.078, -0.014) ( -0.006, 0.079, -0.013) ( 0.00, 0.01, 0.00) strbnd (-12.414, 17.157, 20.000) (-12.413, 17.159, 20.000) ( 0.01, 0.01, 0.00) torsion ( 0.017, 0.014, 0.019) ( 0.017, 0.014, 0.019) ( 0.00, 0.00, 0.00) oop ( 0.005, 0.002, 0.006) ( 0.004, 0.001, 0.005) ( 0.00, 0.00, 0.00) vdw (-14.019, 3.164, -3.556) (-14.019, 3.165, -3.556) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 57 ( 47.292, 52.205, -38.554) ( 47.297, 52.209, -38.549) ( 0.01, 0.01, 0.01) bond ( 26.876, 35.751, -12.136) ( 26.880, 35.753, -12.133) ( 0.01, 0.01, 0.03) angle ( 0.078, -0.014, -0.007) ( 0.079, -0.013, -0.006) ( 0.01, 0.00, 0.00) strbnd ( 17.157, 20.000, -12.414) ( 17.159, 20.000, -12.413) ( 0.01, 0.00, 0.01) torsion ( 0.014, 0.019, 0.017) ( 0.014, 0.019, 0.017) ( 0.00, 0.00, 0.00) oop ( 0.002, 0.006, 0.005) ( 0.001, 0.005, 0.004) ( 0.00, 0.00, 0.00) vdw ( 3.164, -3.556, -14.019) ( 3.165, -3.556, -14.019) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 58 ( 3.504, -53.454, 17.121) ( 3.509, -53.448, 17.126) ( 0.15, 0.01, 0.02) bond (-12.452, -26.537, 26.356) (-12.448, -26.533, 26.357) ( 0.04, 0.01, 0.01) angle ( -9.977, 5.381, -2.072) ( -9.975, 5.383, -2.071) ( 0.02, 0.04, 0.05) strbnd ( 29.601, -21.772, 10.437) ( 29.601, -21.772, 10.438) ( 0.00, 0.00, 0.00) torsion ( 1.442, -1.853, -6.723) ( 1.442, -1.853, -6.722) ( 0.02, 0.02, 0.01) oop ( 0.004, -0.006, -0.012) ( 0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) vdw ( -5.113, -8.667, -10.865) ( -5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 59 ( 57.517, -33.972, 18.680) ( 57.526, -33.965, 18.684) ( 0.02, 0.02, 0.02) bond ( 43.256, -7.494, 14.575) ( 43.260, -7.491, 14.577) ( 0.01, 0.04, 0.01) angle ( -5.272, 6.049, -3.749) ( -5.270, 6.051, -3.748) ( 0.03, 0.03, 0.03) strbnd ( 14.441, -25.674, 15.790) ( 14.443, -25.673, 15.791) ( 0.01, 0.00, 0.00) torsion ( -0.018, 1.819, 2.940) ( -0.018, 1.820, 2.940) ( 0.00, 0.02, 0.02) oop ( -0.004, -0.006, -0.012) ( -0.002, -0.005, -0.011) ( 0.00, 0.00, 0.00) vdw ( 5.113, -8.667, -10.865) ( 5.113, -8.667, -10.865) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 60 (-52.445, -20.208, 0.196) (-52.439, -20.201, 0.199) ( 0.01, 0.04, 0.06) bond (-30.817, -15.091, 19.379) (-30.813, -15.086, 19.380) ( 0.01, 0.03, 0.00) angle ( 5.186, -6.105, 3.821) ( 5.188, -6.103, 3.822) ( 0.04, 0.03, 0.02) strbnd (-26.815, 14.635, -11.154) (-26.815, 14.635, -11.154) ( 0.00, 0.00, 0.00) torsion ( 0.000, -1.831, -2.952) ( 0.001, -1.831, -2.951) ( 0.00, 0.01, 0.02) oop ( -0.000, 0.005, 0.010) ( 0.000, 0.005, 0.011) ( 0.00, 0.00, 0.00) vdw ( -0.000, -11.821, -8.908) ( -0.000, -11.821, -8.908) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 18 # gradients ok 19 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 47.614, 10.906, 0.039) ( 47.621, 10.915, 0.093) ( 0.02, 0.08, 0.21) bond ( 30.636, -6.297, 0.167) ( 30.642, -6.289, 0.167) ( 0.02, 0.13, 0.00) angle ( 32.862, 34.136, 0.480) ( 32.865, 34.139, 0.480) ( 0.01, 0.01, 0.00) strbnd (-13.324, -8.673, -0.104) (-13.325, -8.674, -0.104) ( 0.01, 0.01, 0.00) torsion ( 0.006, 0.007, -0.513) ( 0.006, 0.007, -0.512) ( 0.00, 0.00, 0.06) oop ( 0.002, 0.002, -0.095) ( 0.001, 0.002, -0.042) ( 0.00, 0.00, 0.50) vdw ( -4.980, -11.257, 0.121) ( -4.980, -11.256, 0.121) ( 0.00, 0.00, 0.00) electro ( 2.412, 2.988, -0.017) ( 2.412, 2.988, -0.017) ( 0.00, 0.00, 0.00) 2 (-60.262, -26.974, -2.058) (-60.252, -26.966, -1.947) ( 0.02, 0.03, 5.40) bond (-30.553, -9.880, 0.169) (-30.547, -9.873, 0.169) ( 0.02, 0.07, 0.00) angle (-46.521, -10.271, 0.396) (-46.518, -10.269, 0.396) ( 0.01, 0.02, 0.00) strbnd ( 17.496, -2.306, -0.133) ( 17.495, -2.306, -0.133) ( 0.00, 0.03, 0.00) torsion ( -0.025, 0.014, -1.717) ( -0.025, 0.014, -1.715) ( 0.00, 0.00, 0.08) oop ( -0.004, 0.004, -0.489) ( -0.003, 0.003, -0.380) ( 0.00, 0.00, 5.38) vdw ( 1.588, -12.705, -0.305) ( 1.588, -12.704, -0.305) ( 0.01, 0.00, 0.00) electro ( -2.243, 8.169, 0.021) ( -2.243, 8.169, 0.021) ( 0.00, 0.00, 0.00) 3 ( 23.930, -14.242, 1.480) ( 23.937, -14.234, 1.356) ( 0.03, 0.06, 8.43) bond ( 39.764, 9.492, -0.196) ( 39.769, 9.499, -0.196) ( 0.01, 0.07, 0.00) angle ( -9.543, -33.981, 0.308) ( -9.540, -33.979, 0.308) ( 0.03, 0.01, 0.01) strbnd ( -7.639, 9.515, -0.055) ( -7.639, 9.513, -0.055) ( 0.00, 0.01, 0.00) torsion ( 0.011, 0.725, 0.814) ( 0.011, 0.725, 0.815) ( 0.00, 0.00, 0.09) oop ( 0.005, 0.000, 0.631) ( 0.004, 0.000, 0.505) ( 0.00, 0.00, 7.96) vdw ( 9.366, 0.886, 0.003) ( 9.367, 0.886, 0.003) ( 0.00, 0.00, 0.00) electro ( -8.034, -0.879, -0.025) ( -8.034, -0.879, -0.025) ( 0.00, 0.00, 0.00) 4 ( 0.145, -4.796, -0.990) ( 0.155, -4.783, -0.870) ( 0.15, 0.26, 11.92) bond (-10.729, -14.628, 0.267) (-10.721, -14.617, 0.267) ( 0.08, 0.07, 0.01) angle ( 32.474, 51.618, -0.713) ( 32.476, 51.622, -0.713) ( 0.01, 0.01, 0.01) strbnd (-21.280, -41.834, 0.455) (-21.281, -41.837, 0.455) ( 0.01, 0.01, 0.00) torsion ( -0.002, -0.000, 0.339) ( -0.002, -0.000, 0.341) ( 0.00, 0.00, 0.04) oop ( -0.004, -0.005, -0.706) ( -0.003, -0.004, -0.587) ( 0.00, 0.00, 8.43) vdw ( 7.224, 10.517, -0.632) ( 7.224, 10.517, -0.632) ( 0.00, 0.00, 0.00) electro ( -7.539, -10.463, -0.002) ( -7.539, -10.463, -0.002) ( 0.00, 0.00, 0.00) 5 ( 32.855, 54.085, -1.765) ( 32.859, 54.093, -1.793) ( 0.01, 0.01, 1.56) bond ( 14.954, 25.801, -0.346) ( 14.956, 25.809, -0.346) ( 0.02, 0.03, 0.00) angle ( -0.954, 0.553, 0.090) ( -0.953, 0.554, 0.090) ( 0.07, 0.01, 0.00) strbnd ( 15.993, 27.797, -0.361) ( 15.993, 27.797, -0.362) ( 0.00, 0.00, 0.00) torsion ( 0.001, 0.000, 0.051) ( 0.001, 0.000, 0.051) ( 0.00, 0.00, 0.00) oop ( 0.001, 0.002, 0.182) ( 0.001, 0.001, 0.155) ( 0.00, 0.00, 0.50) vdw ( 7.016, 4.718, -1.422) ( 7.016, 4.718, -1.422) ( 0.00, 0.00, 0.00) electro ( -4.154, -4.786, 0.041) ( -4.154, -4.786, 0.041) ( 0.00, 0.00, 0.00) 6 ( -0.168, 8.955, 0.093) ( -0.160, 8.963, -0.035) ( 0.14, 0.09, 1.18) bond (-14.177, 30.083, -0.172) (-14.170, 30.088, -0.172) ( 0.05, 0.02, 0.00) angle ( 8.442, -39.763, 0.869) ( 8.444, -39.760, 0.869) ( 0.03, 0.01, 0.03) strbnd ( 11.495, 9.907, -0.096) ( 11.495, 9.907, -0.096) ( 0.00, 0.00, 0.00) torsion ( -0.428, -0.249, -1.278) ( -0.428, -0.249, -1.277) ( 0.00, 0.00, 0.07) oop ( -0.000, 0.003, 0.773) ( -0.000, 0.003, 0.645) ( 0.00, 0.00, 9.94) vdw ( -6.893, 11.755, 0.015) ( -6.893, 11.755, 0.015) ( 0.00, 0.00, 0.00) electro ( 1.393, -2.782, -0.018) ( 1.393, -2.782, -0.018) ( 0.00, 0.00, 0.00) 7 ( -6.398, -0.930, -0.886) ( -6.384, -0.921, -0.765) ( 0.22, 0.80, 10.80) bond ( 14.169, 8.086, 0.243) ( 14.182, 8.092, 0.243) ( 0.09, 0.08, 0.01) angle (-42.998, -14.458, -0.436) (-42.996, -14.456, -0.436) ( 0.01, 0.02, 0.01) strbnd ( 11.153, 0.471, 0.082) ( 11.151, 0.470, 0.082) ( 0.01, 0.04, 0.00) torsion ( -0.004, -0.002, 0.375) ( -0.004, -0.002, 0.376) ( 0.00, 0.00, 0.03) oop ( 0.003, -0.000, -0.845) ( 0.003, -0.000, -0.724) ( 0.00, 0.00, 10.22) vdw ( -7.050, -0.891, -0.311) ( -7.050, -0.891, -0.311) ( 0.00, 0.01, 0.00) electro ( 18.330, 5.865, 0.006) ( 18.330, 5.865, 0.006) ( 0.00, 0.00, 0.00) 8 (-50.729, -2.197, -0.507) (-50.718, -2.195, -0.575) ( 0.02, 0.05, 3.43) bond (-33.079, 0.439, -0.219) (-33.068, 0.439, -0.220) ( 0.03, 0.01, 0.00) angle ( 0.010, 0.811, 0.102) ( 0.010, 0.812, 0.102) ( 0.00, 0.09, 0.00) strbnd (-14.392, -0.434, -0.079) (-14.392, -0.434, -0.079) ( 0.00, 0.00, 0.00) torsion ( 0.001, -0.000, -0.096) ( 0.001, -0.000, -0.096) ( 0.00, 0.00, 0.00) oop ( -0.002, -0.000, 0.361) ( -0.002, -0.000, 0.293) ( 0.00, 0.00, 2.44) vdw ( -5.725, -2.617, -0.509) ( -5.725, -2.617, -0.509) ( 0.00, 0.01, 0.00) electro ( 2.458, -0.395, -0.067) ( 2.458, -0.395, -0.067) ( 0.00, 0.00, 0.00) 9 (-32.034, -12.171, -0.517) (-32.026, -12.162, -0.554) ( 0.03, 0.07, 1.89) bond (-31.682, -14.421, -0.455) (-31.675, -14.415, -0.455) ( 0.02, 0.04, 0.00) angle ( 5.174, 7.290, 0.065) ( 5.177, 7.293, 0.066) ( 0.05, 0.03, 0.00) strbnd ( -6.582, -2.350, -0.240) ( -6.583, -2.351, -0.240) ( 0.02, 0.05, 0.00) torsion ( 0.000, 0.005, -0.080) ( 0.000, 0.005, -0.079) ( 0.00, 0.00, 0.01) oop ( -0.001, -0.003, 0.207) ( -0.000, -0.002, 0.169) ( 0.00, 0.00, 0.78) vdw ( 1.438, -3.381, -0.019) ( 1.438, -3.381, -0.019) ( 0.00, 0.00, 0.00) electro ( -0.381, 0.689, 0.005) ( -0.381, 0.689, 0.005) ( 0.00, 0.00, 0.00) 10 (-11.709, -23.421, -0.019) (-11.704, -23.415, -0.082) ( 0.04, 0.03, 0.12) bond (-32.483, -35.767, -0.526) (-32.480, -35.763, -0.526) ( 0.01, 0.01, 0.01) angle ( 26.625, 6.434, -0.197) ( 26.627, 6.434, -0.197) ( 0.01, 0.01, 0.00) strbnd ( -1.629, 3.816, 0.065) ( -1.629, 3.816, 0.065) ( 0.01, 0.01, 0.00) torsion ( 0.008, -0.005, 0.486) ( 0.008, -0.005, 0.486) ( 0.00, 0.00, 0.02) oop ( 0.002, -0.005, 0.355) ( 0.001, -0.005, 0.291) ( 0.00, 0.00, 2.26) vdw ( -3.198, -3.532, -0.228) ( -3.198, -3.531, -0.228) ( 0.00, 0.00, 0.00) electro ( -1.035, 5.639, 0.027) ( -1.035, 5.639, 0.027) ( 0.00, 0.00, 0.00) 11 ( 35.827, 8.607, -0.338) ( 35.834, 8.614, -0.245) ( 0.02, 0.08, 3.13) bond ( 44.495, 11.383, 0.093) ( 44.502, 11.390, 0.093) ( 0.01, 0.06, 0.00) angle ( -0.477, -4.825, -0.116) ( -0.475, -4.823, -0.116) ( 0.09, 0.05, 0.00) strbnd (-12.211, 2.309, 0.059) (-12.213, 2.308, 0.059) ( 0.02, 0.02, 0.00) torsion ( -0.001, -0.001, 0.053) ( -0.001, -0.001, 0.054) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.010, -0.488) ( -0.000, 0.008, -0.397) ( 0.00, 0.00, 4.49) vdw ( 4.096, -0.193, 0.062) ( 4.096, -0.193, 0.062) ( 0.00, 0.00, 0.00) electro ( -0.073, -0.076, -0.001) ( -0.073, -0.076, -0.001) ( 0.00, 0.00, 0.00) 12 ( 16.696, 4.159, 1.198) ( 16.701, 4.165, 1.188) ( 0.03, 0.16, 0.77) bond ( 20.776, 7.319, 0.909) ( 20.781, 7.324, 0.914) ( 0.02, 0.06, 0.43) angle (-13.754, -4.812, -0.102) (-13.752, -4.809, -0.101) ( 0.01, 0.04, 0.02) strbnd ( 12.427, 3.908, 0.157) ( 12.424, 3.908, 0.156) ( 0.02, 0.02, 0.01) torsion ( -0.002, -0.005, 0.222) ( -0.002, -0.005, 0.222) ( 0.00, 0.00, 0.00) oop ( -0.001, -0.001, 0.057) ( -0.000, -0.001, 0.042) ( 0.00, 0.00, 0.09) vdw ( -1.953, -4.180, -0.065) ( -1.953, -4.180, -0.065) ( 0.00, 0.00, 0.00) electro ( -0.796, 1.928, 0.020) ( -0.796, 1.928, 0.020) ( 0.00, 0.00, 0.00) 13 (-13.757, -4.403, 1.127) (-13.752, -4.397, 1.147) ( 0.04, 0.15, 1.78) bond (-22.923, -0.335, 0.145) (-22.919, -0.330, 0.150) ( 0.02, 0.16, 0.07) angle ( 7.410, 2.850, -0.382) ( 7.411, 2.852, -0.380) ( 0.03, 0.07, 0.06) strbnd ( 0.558, -0.831, -0.003) ( 0.557, -0.831, -0.003) ( 0.07, 0.03, 0.00) torsion ( 0.051, -3.726, 1.437) ( 0.051, -3.726, 1.438) ( 0.00, 0.00, 0.01) oop ( -0.001, -0.000, -0.079) ( -0.001, -0.000, -0.065) ( 0.00, 0.00, 0.11) vdw ( 6.098, -3.967, 0.005) ( 6.098, -3.967, 0.005) ( 0.00, 0.00, 0.00) electro ( -4.950, 1.606, 0.003) ( -4.950, 1.606, 0.003) ( 0.00, 0.00, 0.00) 14 ( 9.355, -11.349, 3.836) ( 9.361, -11.344, 3.856) ( 0.06, 0.05, 0.53) bond ( 11.197, -20.692, -0.065) ( 11.201, -20.688, -0.061) ( 0.04, 0.02, 0.03) angle ( -3.458, 7.005, -0.620) ( -3.456, 7.007, -0.619) ( 0.06, 0.03, 0.09) strbnd ( 0.022, 0.227, 0.010) ( 0.021, 0.226, 0.009) ( 0.00, 0.02, 0.00) torsion ( 2.182, 1.253, 4.593) ( 2.182, 1.253, 4.593) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.001, -0.092) ( 0.000, -0.001, -0.078) ( 0.00, 0.00, 0.13) vdw ( -4.679, 7.355, -0.008) ( -4.679, 7.355, -0.008) ( 0.00, 0.00, 0.00) electro ( 4.091, -6.495, 0.019) ( 4.091, -6.495, 0.019) ( 0.00, 0.00, 0.00) 15 ( -0.465, 5.538, 0.483) ( -0.465, 5.543, 0.432) ( 0.04, 0.09, 2.45) bond ( -0.036, 7.926, 0.175) ( -0.036, 7.930, 0.175) ( 0.00, 0.05, 0.00) angle ( -5.802, -0.026, -0.014) ( -5.802, -0.026, -0.014) ( 0.01, 0.00, 0.00) strbnd ( 3.604, -0.129, -0.013) ( 3.604, -0.129, -0.013) ( 0.00, 0.00, 0.00) torsion ( 0.001, -0.003, 0.136) ( 0.001, -0.003, 0.136) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.005, 0.223) ( 0.000, -0.004, 0.172) ( 0.00, 0.00, 1.13) vdw ( 1.248, -1.217, -0.011) ( 1.248, -1.217, -0.011) ( 0.00, 0.00, 0.00) electro ( 0.520, -1.008, -0.012) ( 0.520, -1.008, -0.012) ( 0.00, 0.00, 0.00) 16 ( 3.795, -2.075, -0.170) ( 3.796, -2.072, -0.169) ( 0.02, 0.17, 0.01) bond ( -0.033, -1.994, -0.084) ( -0.033, -1.991, -0.084) ( 0.00, 0.17, 0.00) angle ( 5.569, -0.090, -0.056) ( 5.570, -0.090, -0.056) ( 0.01, 0.00, 0.00) strbnd ( 2.049, 1.116, 0.067) ( 2.049, 1.116, 0.067) ( 0.00, 0.00, 0.00) torsion ( 0.000, 0.000, -0.009) ( 0.000, 0.000, -0.009) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.791, -1.108, -0.087) ( -3.791, -1.108, -0.087) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 17 ( 3.734, 1.697, 3.317) ( 3.735, 1.697, 3.320) ( 0.03, 0.05, 0.08) bond ( -0.653, 0.424, 1.150) ( -0.653, 0.424, 1.152) ( 0.05, 0.01, 0.21) angle ( 4.116, 2.173, 1.530) ( 4.116, 2.174, 1.530) ( 0.01, 0.02, 0.01) strbnd ( 2.185, 0.599, -0.219) ( 2.185, 0.599, -0.219) ( 0.00, 0.00, 0.00) torsion ( 0.003, -0.008, 0.004) ( 0.003, -0.008, 0.004) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.916, -1.492, 0.852) ( -1.916, -1.492, 0.852) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 18 ( 3.357, 1.877, -3.735) ( 3.358, 1.877, -3.733) ( 0.04, 0.05, 0.07) bond ( -0.951, 0.766, -1.640) ( -0.950, 0.766, -1.638) ( 0.07, 0.04, 0.14) angle ( 4.217, 2.283, -1.378) ( 4.217, 2.284, -1.377) ( 0.01, 0.02, 0.01) strbnd ( 2.195, 0.574, 0.319) ( 2.195, 0.574, 0.319) ( 0.00, 0.00, 0.00) torsion ( -0.003, 0.007, 0.005) ( -0.003, 0.007, 0.005) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.102, -1.754, -1.042) ( -2.101, -1.754, -1.042) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 19 ( -0.948, 1.749, -2.994) ( -0.947, 1.750, -2.991) ( 0.08, 0.04, 0.10) bond ( 0.687, 0.547, -1.969) ( 0.688, 0.547, -1.967) ( 0.02, 0.01, 0.15) angle ( -2.117, 0.190, -0.687) ( -2.116, 0.190, -0.687) ( 0.02, 0.01, 0.01) strbnd ( -1.351, -0.031, 0.069) ( -1.351, -0.031, 0.069) ( 0.00, 0.00, 0.00) torsion ( -0.009, 1.344, 0.371) ( -0.009, 1.344, 0.371) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.840, -0.300, -0.777) ( 1.840, -0.300, -0.777) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 20 ( 3.214, -1.427, 1.320) ( 3.215, -1.424, 1.320) ( 0.03, 0.21, 0.05) bond ( 0.757, -1.956, 0.504) ( 0.757, -1.953, 0.504) ( 0.03, 0.15, 0.01) angle ( -2.944, -1.085, 0.217) ( -2.943, -1.085, 0.218) ( 0.02, 0.01, 0.01) strbnd ( -1.362, 0.055, -0.006) ( -1.362, 0.055, -0.006) ( 0.00, 0.00, 0.00) torsion ( -0.001, -0.023, -0.087) ( -0.001, -0.023, -0.087) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 6.765, 1.580, 0.691) ( 6.765, 1.580, 0.691) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 21 ( 1.311, 2.298, 1.796) ( 1.312, 2.300, 1.798) ( 0.07, 0.08, 0.10) bond ( 0.773, 1.536, 1.536) ( 0.773, 1.538, 1.538) ( 0.03, 0.10, 0.10) angle ( -2.380, 0.642, 0.554) ( -2.380, 0.642, 0.554) ( 0.02, 0.02, 0.01) strbnd ( -1.349, -0.045, -0.017) ( -1.349, -0.045, -0.017) ( 0.00, 0.00, 0.00) torsion ( -0.034, 1.670, -1.653) ( -0.034, 1.670, -1.653) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.301, -1.506, 1.375) ( 4.301, -1.506, 1.375) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 ( -2.919, 0.875, 1.448) ( -2.916, 0.876, 1.450) ( 0.08, 0.06, 0.11) bond ( -1.870, -0.110, 1.417) ( -1.868, -0.110, 1.418) ( 0.12, 0.00, 0.09) angle ( 0.520, -2.593, 0.484) ( 0.520, -2.593, 0.484) ( 0.01, 0.02, 0.01) strbnd ( 0.654, -1.205, 0.011) ( 0.654, -1.205, 0.011) ( 0.00, 0.00, 0.00) torsion ( -1.476, -0.834, -2.010) ( -1.476, -0.834, -2.010) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.746, 5.617, 1.547) ( -0.746, 5.617, 1.547) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( -2.177, 4.626, 0.844) ( -2.175, 4.628, 0.845) ( 0.08, 0.05, 0.06) bond ( 1.483, 1.776, 0.765) ( 1.485, 1.778, 0.766) ( 0.09, 0.10, 0.03) angle ( 2.624, -2.307, 0.268) ( 2.625, -2.307, 0.268) ( 0.01, 0.01, 0.01) strbnd ( 0.634, -1.241, -0.006) ( 0.634, -1.242, -0.006) ( 0.00, 0.00, 0.00) torsion ( 0.519, 0.264, -1.620) ( 0.519, 0.264, -1.620) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -7.437, 6.134, 1.436) ( -7.437, 6.134, 1.436) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( -0.385, -1.508, -3.050) ( -0.385, -1.508, -3.047) ( 0.03, 0.04, 0.10) bond ( -0.615, 0.404, -1.895) ( -0.615, 0.404, -1.892) ( 0.02, 0.01, 0.16) angle ( 0.873, -1.806, -0.669) ( 0.873, -1.806, -0.669) ( 0.04, 0.03, 0.01) strbnd ( 0.665, -1.206, 0.041) ( 0.665, -1.206, 0.041) ( 0.00, 0.00, 0.00) torsion ( -0.796, -0.434, 0.166) ( -0.796, -0.434, 0.166) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.512, 1.534, -0.692) ( -0.512, 1.534, -0.692) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 20 # gradients ok 21 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 0.967, 0.259, -0.197) ( 0.972, 0.264, -0.191) ( 0.49, 0.14, 0.12) bond ( 0.905, 2.623, 8.120) ( 0.909, 2.627, 8.124) ( 0.37, 0.15, 0.05) angle ( 7.385, 0.772, -9.892) ( 7.388, 0.774, -9.889) ( 0.03, 0.16, 0.02) strbnd ( 0.181, 1.490, -0.840) ( 0.180, 1.489, -0.841) ( 0.02, 0.06, 0.05) torsion ( -3.658, -1.057, 2.616) ( -3.658, -1.057, 2.616) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.221, -3.068, -0.045) ( -3.221, -3.068, -0.045) ( 0.00, 0.00, 0.00) electro ( -0.625, -0.501, -0.156) ( -0.625, -0.501, -0.156) ( 0.00, 0.00, 0.00) 2 ( 0.736, 0.034, 0.004) ( 0.742, 0.039, 0.010) ( 0.41, 0.02, 0.00) bond ( 11.123, -1.351, -2.048) ( 11.127, -1.347, -2.044) ( 0.04, 0.29, 0.21) angle ( -8.045, 1.278, 9.737) ( -8.043, 1.280, 9.739) ( 0.03, 0.16, 0.02) strbnd ( 0.965, -2.280, 1.631) ( 0.965, -2.281, 1.630) ( 0.07, 0.04, 0.02) torsion ( 4.294, 0.736, -3.479) ( 4.294, 0.736, -3.478) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -7.601, 1.652, -5.836) ( -7.601, 1.652, -5.836) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( 0.562, 0.076, -0.092) ( 0.566, 0.081, -0.087) ( 0.27, 0.04, 0.05) bond ( 6.097, -9.677, 17.390) ( 6.101, -9.673, 17.394) ( 0.06, 0.04, 0.02) angle ( -1.378, 4.252, -13.110) ( -1.376, 4.254, -13.108) ( 0.15, 0.05, 0.02) strbnd ( 0.257, 0.181, -0.552) ( 0.256, 0.180, -0.552) ( 0.03, 0.01, 0.03) torsion ( -0.355, 2.764, 0.802) ( -0.355, 2.764, 0.802) ( 0.00, 0.00, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.059, 2.557, -4.623) ( -4.059, 2.557, -4.623) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 4 ( 1.701, 0.453, 0.308) ( 1.706, 0.472, 0.382) ( 0.30, 0.89, 2.27) bond ( 8.642, 10.885, -8.146) ( 8.646, 10.889, -8.142) ( 0.04, 0.04, 0.05) angle ( -7.598, -8.113, 12.883) ( -7.596, -8.111, 12.884) ( 0.03, 0.02, 0.01) strbnd ( -1.384, 1.903, -1.050) ( -1.385, 1.903, -1.050) ( 0.08, 0.03, 0.05) torsion ( 3.685, 2.177, -4.847) ( 3.685, 2.177, -4.846) ( 0.00, 0.00, 0.00) oop ( -0.002, -0.088, -0.446) ( -0.002, -0.075, -0.377) ( 0.00, 0.12, 3.03) vdw ( -1.895, -6.707, 1.430) ( -1.894, -6.706, 1.430) ( 0.00, 0.00, 0.00) electro ( 0.253, 0.395, 0.484) ( 0.253, 0.395, 0.484) ( 0.00, 0.00, 0.00) 5 ( -7.881, 4.561, -0.394) ( -7.870, 4.527, -0.600) ( 0.14, 0.76, 8.12) bond (-12.705, 14.137, -1.636) (-12.697, 14.141, -1.636) ( 0.06, 0.03, 0.02) angle ( 1.253, 3.126, -9.477) ( 1.254, 3.128, -9.476) ( 0.12, 0.05, 0.01) strbnd ( 1.419, -3.117, 0.027) ( 1.419, -3.117, 0.027) ( 0.04, 0.02, 0.00) torsion ( -0.255, 1.581, 7.797) ( -0.255, 1.581, 7.798) ( 0.00, 0.00, 0.01) oop ( -0.011, 0.244, 1.272) ( -0.008, 0.203, 1.063) ( 0.00, 0.98, 16.38) vdw ( 0.999, -11.742, 1.783) ( 0.999, -11.742, 1.783) ( 0.02, 0.00, 0.00) electro ( 1.419, 0.332, -0.159) ( 1.419, 0.332, -0.159) ( 0.00, 0.00, 0.00) 6 ( 8.807, -4.640, 1.194) ( 8.816, -4.626, 1.216) ( 0.11, 0.29, 1.77) bond ( 3.884, 4.853, -0.204) ( 3.892, 4.858, -0.204) ( 0.19, 0.11, 0.01) angle ( 1.621, -0.921, 2.154) ( 1.622, -0.919, 2.155) ( 0.08, 0.16, 0.02) strbnd ( -1.690, 1.656, -0.349) ( -1.691, 1.655, -0.349) ( 0.04, 0.03, 0.00) torsion ( -0.062, -0.722, -2.668) ( -0.062, -0.722, -2.667) ( 0.00, 0.00, 0.04) oop ( -0.011, -0.030, -0.074) ( -0.010, -0.023, -0.055) ( 0.00, 0.02, 0.14) vdw ( 4.938, -9.590, 2.718) ( 4.938, -9.589, 2.718) ( 0.00, 0.00, 0.00) electro ( 0.127, 0.114, -0.383) ( 0.127, 0.114, -0.383) ( 0.00, 0.00, 0.00) 7 ( -0.810, 0.444, -0.283) ( -0.806, 0.452, -0.254) ( 0.32, 0.37, 0.83) bond (-11.282, 11.208, 0.541) (-11.278, 11.212, 0.545) ( 0.04, 0.03, 0.24) angle ( 9.286, -4.053, -3.402) ( 9.288, -4.051, -3.400) ( 0.02, 0.05, 0.04) strbnd ( 0.811, -0.072, -0.853) ( 0.810, -0.073, -0.854) ( 0.06, 0.01, 0.03) torsion ( -1.331, -0.869, 0.696) ( -1.331, -0.869, 0.696) ( 0.00, 0.00, 0.02) oop ( 0.009, -0.020, -0.131) ( 0.007, -0.017, -0.108) ( 0.00, 0.01, 0.31) vdw ( 0.881, -5.592, 2.703) ( 0.881, -5.592, 2.703) ( 0.01, 0.00, 0.00) electro ( 0.815, -0.158, 0.163) ( 0.815, -0.158, 0.163) ( 0.00, 0.00, 0.00) 8 ( 0.736, 0.178, 0.067) ( 0.740, 0.183, 0.072) ( 0.35, 0.09, 0.04) bond ( -1.261, -2.729, -19.147) ( -1.258, -2.725, -19.143) ( 0.27, 0.13, 0.02) angle ( -9.942, 7.503, 26.405) ( -9.940, 7.505, 26.407) ( 0.02, 0.03, 0.01) strbnd ( 4.138, 2.113, 0.872) ( 4.137, 2.112, 0.871) ( 0.02, 0.04, 0.03) torsion ( 2.267, -2.809, -7.166) ( 2.267, -2.809, -7.166) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 5.533, -3.900, -0.897) ( 5.533, -3.899, -0.897) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 9 ( 0.364, 0.232, -0.008) ( 0.369, 0.237, -0.002) ( 0.20, 0.11, 0.00) bond ( -6.983, 11.163, 5.799) ( -6.980, 11.166, 5.803) ( 0.06, 0.03, 0.07) angle ( 6.589, 0.564, -10.864) ( 6.592, 0.566, -10.862) ( 0.04, 0.12, 0.02) strbnd ( -4.331, -9.696, 0.323) ( -4.332, -9.697, 0.323) ( 0.02, 0.01, 0.01) torsion ( 0.192, 1.536, 1.287) ( 0.192, 1.536, 1.287) ( 0.00, 0.00, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.897, -3.334, 3.446) ( 4.897, -3.334, 3.447) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 10 ( 0.279, 0.320, 0.215) ( 0.284, 0.326, 0.221) ( 0.13, 0.18, 0.13) bond ( 3.926, 16.947, -8.842) ( 3.929, 16.951, -8.838) ( 0.09, 0.02, 0.05) angle ( -6.642, -8.727, 8.491) ( -6.640, -8.725, 8.493) ( 0.03, 0.02, 0.02) strbnd ( -1.913, -4.925, 2.830) ( -1.914, -4.925, 2.830) ( 0.05, 0.01, 0.02) torsion ( -1.013, -0.173, -1.195) ( -1.013, -0.173, -1.195) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 5.922, -2.802, -1.070) ( 5.922, -2.802, -1.070) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 11 ( 0.045, 0.535, 0.496) ( 0.051, 0.539, 0.502) ( 0.03, 0.24, 0.29) bond (-22.008, -2.471, -8.891) (-22.004, -2.468, -8.886) ( 0.02, 0.14, 0.05) angle ( 15.128, 5.024, 5.636) ( 15.130, 5.026, 5.638) ( 0.01, 0.04, 0.03) strbnd ( 6.334, 1.549, 3.089) ( 6.333, 1.548, 3.089) ( 0.01, 0.06, 0.02) torsion ( -1.616, 1.448, 1.166) ( -1.616, 1.448, 1.166) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.209, -5.015, -0.504) ( 2.209, -5.015, -0.504) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 12 ( 0.018, -0.028, -0.133) ( 0.022, -0.023, -0.128) ( 0.01, 0.01, 0.07) bond (-12.958, 14.537, 15.529) (-12.956, 14.540, 15.533) ( 0.02, 0.02, 0.03) angle ( 5.486, -21.711, -16.528) ( 5.488, -21.709, -16.526) ( 0.04, 0.01, 0.01) strbnd ( 4.156, 8.341, -1.058) ( 4.155, 8.340, -1.059) ( 0.02, 0.01, 0.04) torsion ( 0.521, -0.105, -0.116) ( 0.521, -0.105, -0.116) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.814, -1.090, 2.040) ( 2.814, -1.090, 2.040) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 ( -0.345, -0.098, -0.425) ( -0.340, -0.093, -0.420) ( 0.16, 0.05, 0.21) bond ( 19.196, -25.927, -5.472) ( 19.199, -25.923, -5.468) ( 0.02, 0.01, 0.07) angle (-20.973, 31.110, 6.384) (-20.971, 31.112, 6.386) ( 0.01, 0.01, 0.03) strbnd ( -1.801, -4.659, 1.967) ( -1.802, -4.660, 1.966) ( 0.04, 0.02, 0.03) torsion ( 2.190, -1.303, -1.287) ( 2.190, -1.303, -1.287) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.043, 0.681, -2.017) ( 1.043, 0.681, -2.017) ( 0.01, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 14 ( -0.307, -0.668, -1.189) ( -0.302, -0.663, -1.183) ( 0.14, 0.32, 0.49) bond (-22.467, 22.959, -11.970) (-22.463, 22.963, -11.965) ( 0.01, 0.02, 0.04) angle ( 20.677, -26.111, 8.252) ( 20.679, -26.109, 8.254) ( 0.01, 0.01, 0.02) strbnd ( 1.372, -1.663, -0.432) ( 1.371, -1.664, -0.432) ( 0.07, 0.05, 0.02) torsion ( -0.738, 1.381, 1.027) ( -0.738, 1.381, 1.027) ( 0.00, 0.00, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.849, 2.766, 1.934) ( 0.849, 2.766, 1.934) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 15 ( -0.779, -0.703, -0.742) ( -0.774, -0.698, -0.735) ( 0.36, 0.34, 0.45) bond ( 11.046, -27.491, 7.813) ( 11.049, -27.488, 7.817) ( 0.03, 0.01, 0.06) angle (-13.695, 29.364, -9.854) (-13.693, 29.366, -9.852) ( 0.01, 0.01, 0.02) strbnd ( -1.160, 1.909, -1.027) ( -1.161, 1.909, -1.027) ( 0.08, 0.04, 0.03) torsion ( 0.502, -0.879, -1.143) ( 0.502, -0.879, -1.143) ( 0.00, 0.00, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.527, -3.606, 3.470) ( 2.528, -3.606, 3.470) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 16 ( -1.065, -0.614, 1.036) ( -1.061, -0.609, 1.042) ( 0.45, 0.30, 0.57) bond ( -9.763, 20.766, -9.836) ( -9.759, 20.769, -9.832) ( 0.04, 0.02, 0.05) angle ( 9.857, -21.778, 9.882) ( 9.859, -21.776, 9.884) ( 0.02, 0.01, 0.02) strbnd ( 0.357, 0.332, 0.998) ( 0.356, 0.331, 0.998) ( 0.03, 0.03, 0.03) torsion ( -0.978, 0.700, 0.353) ( -0.978, 0.700, 0.353) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.539, -0.634, -0.360) ( -0.539, -0.634, -0.360) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 17 ( -1.087, -1.069, 0.177) ( -1.083, -1.064, 0.183) ( 0.43, 0.46, 0.10) bond ( -1.901, -13.454, 13.464) ( -1.897, -13.450, 13.468) ( 0.18, 0.03, 0.03) angle ( 1.193, 9.826, -16.679) ( 1.195, 9.828, -16.677) ( 0.18, 0.02, 0.01) strbnd ( -3.337, 0.795, 1.409) ( -3.338, 0.794, 1.408) ( 0.03, 0.08, 0.02) torsion ( 0.974, 1.005, 1.909) ( 0.974, 1.005, 1.909) ( 0.00, 0.01, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.983, 0.759, 0.074) ( 1.983, 0.759, 0.074) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 18 ( -0.972, -1.131, 0.537) ( -0.966, -1.126, 0.543) ( 0.57, 0.45, 0.31) bond ( 8.970, -7.168, -3.472) ( 8.974, -7.164, -3.467) ( 0.05, 0.06, 0.13) angle ( -7.660, 2.779, 4.648) ( -7.658, 2.781, 4.650) ( 0.02, 0.07, 0.04) strbnd ( -0.534, -1.586, 1.106) ( -0.535, -1.587, 1.106) ( 0.03, 0.05, 0.04) torsion ( -0.534, -0.161, -0.695) ( -0.534, -0.161, -0.695) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.214, 5.005, -1.050) ( -1.214, 5.005, -1.050) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 19 ( -0.892, -1.390, -0.413) ( -0.887, -1.384, -0.407) ( 0.44, 0.43, 0.23) bond (-14.431, 0.239, -5.354) (-14.427, 0.243, -5.350) ( 0.03, 0.11, 0.08) angle ( 5.190, -0.465, 6.381) ( 5.192, -0.463, 6.382) ( 0.04, 0.09, 0.03) strbnd ( 2.347, -0.745, 1.442) ( 2.346, -0.746, 1.441) ( 0.04, 0.03, 0.03) torsion ( 0.871, -0.786, -1.907) ( 0.871, -0.786, -1.907) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 5.131, 0.367, -0.974) ( 5.131, 0.367, -0.974) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 20 ( -1.255, 0.127, -0.110) ( -1.249, 0.133, -0.106) ( 0.48, 0.08, 0.05) bond ( 4.252, -7.565, 15.329) ( 4.256, -7.560, 15.333) ( 0.11, 0.06, 0.03) angle ( 1.408, 3.130, -7.552) ( 1.409, 3.132, -7.550) ( 0.13, 0.06, 0.03) strbnd ( 0.392, 0.525, -4.232) ( 0.392, 0.524, -4.233) ( 0.02, 0.03, 0.02) torsion ( -2.747, 1.008, 0.725) ( -2.747, 1.008, 0.725) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.560, 3.029, -4.380) ( -4.560, 3.029, -4.380) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 21 ( 0.264, 0.125, -0.017) ( 0.269, 0.129, -0.012) ( 0.13, 0.06, 0.01) bond ( 20.008, -3.510, -2.218) ( 20.012, -3.507, -2.215) ( 0.02, 0.09, 0.15) angle (-15.231, -7.030, 0.649) (-15.229, -7.028, 0.651) ( 0.01, 0.03, 0.15) strbnd ( -8.351, 11.149, 4.002) ( -8.352, 11.148, 4.001) ( 0.01, 0.01, 0.02) torsion ( 1.984, -2.010, -1.712) ( 1.984, -2.010, -1.712) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.854, 1.526, -0.737) ( 1.854, 1.526, -0.737) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 ( 0.427, 0.342, -0.042) ( 0.433, 0.348, -0.037) ( 0.25, 0.20, 0.02) bond ( 4.959, -8.811, -19.046) ( 4.964, -8.806, -19.042) ( 0.09, 0.05, 0.02) angle ( -3.781, 3.630, 13.839) ( -3.779, 3.632, 13.841) ( 0.05, 0.05, 0.01) strbnd ( 1.990, -1.284, -2.382) ( 1.989, -1.285, -2.383) ( 0.02, 0.04, 0.04) torsion ( -0.424, -0.578, 0.131) ( -0.424, -0.578, 0.131) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.317, 7.386, 7.417) ( -2.317, 7.386, 7.417) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( 0.262, 0.237, 0.013) ( 0.267, 0.243, 0.019) ( 0.12, 0.14, 0.01) bond ( -9.101, -14.027, 14.486) ( -9.097, -14.023, 14.490) ( 0.04, 0.03, 0.03) angle ( 10.251, 5.425, -14.704) ( 10.253, 5.427, -14.702) ( 0.02, 0.04, 0.01) strbnd ( 4.541, -0.227, 0.888) ( 4.540, -0.227, 0.888) ( 0.02, 0.01, 0.06) torsion ( -1.610, 3.720, 3.452) ( -1.610, 3.720, 3.452) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.819, 5.346, -4.109) ( -3.819, 5.346, -4.109) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( 0.357, 0.362, 0.364) ( 0.362, 0.367, 0.370) ( 0.18, 0.17, 0.22) bond ( 21.264, -13.824, -2.826) ( 21.268, -13.820, -2.821) ( 0.02, 0.03, 0.16) angle (-16.268, 12.918, 11.920) (-16.266, 12.920, 11.922) ( 0.01, 0.02, 0.01) strbnd ( -2.042, -2.702, 2.306) ( -2.043, -2.703, 2.305) ( 0.04, 0.04, 0.01) torsion ( 0.242, -0.309, -3.665) ( 0.242, -0.309, -3.665) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.840, 4.280, -7.371) ( -2.839, 4.280, -7.371) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( 0.298, 0.643, 0.076) ( 0.302, 0.648, 0.081) ( 0.13, 0.32, 0.04) bond (-17.007, -1.605, 19.177) (-17.004, -1.602, 19.181) ( 0.02, 0.21, 0.02) angle ( 20.289, -11.578, -20.050) ( 20.291, -11.576, -20.048) ( 0.01, 0.02, 0.01) strbnd ( 0.219, 4.268, -0.478) ( 0.218, 4.267, -0.478) ( 0.02, 0.02, 0.02) torsion ( -1.834, 2.984, 4.550) ( -1.834, 2.984, 4.550) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.369, 6.574, -3.124) ( -1.369, 6.574, -3.124) ( 0.01, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 ( 1.237, -0.464, 0.129) ( 1.240, -0.447, 0.209) ( 0.28, 0.80, 1.04) bond ( 15.847, -1.098, -7.962) ( 15.850, -1.095, -7.959) ( 0.02, 0.29, 0.04) angle (-11.285, -1.723, 11.202) (-11.283, -1.722, 11.203) ( 0.02, 0.12, 0.02) strbnd ( -2.536, 2.403, 1.664) ( -2.537, 2.402, 1.663) ( 0.03, 0.03, 0.04) torsion ( 1.195, -2.901, -3.945) ( 1.195, -2.901, -3.945) ( 0.00, 0.00, 0.01) oop ( 0.005, -0.076, -0.452) ( 0.004, -0.063, -0.376) ( 0.00, 0.10, 3.40) vdw ( -1.368, 2.242, -0.525) ( -1.367, 2.242, -0.525) ( 0.01, 0.00, 0.00) electro ( -0.621, 0.690, 0.148) ( -0.621, 0.690, 0.148) ( 0.00, 0.00, 0.00) 27 ( 0.236, 0.612, 0.037) ( 0.242, 0.618, 0.042) ( 0.14, 0.35, 0.02) bond ( 5.055, -10.233, -17.302) ( 5.059, -10.229, -17.298) ( 0.09, 0.04, 0.02) angle ( -3.183, 7.842, 10.800) ( -3.181, 7.843, 10.802) ( 0.06, 0.02, 0.02) strbnd ( 1.203, 0.907, -0.607) ( 1.203, 0.907, -0.608) ( 0.04, 0.05, 0.06) torsion ( -0.959, -0.405, -0.114) ( -0.959, -0.405, -0.114) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.881, 2.501, 7.260) ( -1.880, 2.501, 7.260) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 28 ( 0.896, -0.479, -0.925) ( 0.900, -0.477, -0.920) ( 0.38, 0.08, 0.45) bond ( 7.820, 3.623, -3.208) ( 7.824, 3.624, -3.204) ( 0.05, 0.03, 0.12) angle ( -2.167, 1.247, 4.426) ( -2.166, 1.247, 4.428) ( 0.01, 0.03, 0.03) strbnd ( 0.310, 0.219, 0.140) ( 0.310, 0.219, 0.140) ( 0.00, 0.00, 0.01) torsion ( 0.871, -2.454, -0.635) ( 0.871, -2.454, -0.635) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.614, -2.920, -1.379) ( -3.614, -2.920, -1.379) ( 0.00, 0.00, 0.00) electro ( -2.324, -0.193, -0.270) ( -2.323, -0.193, -0.270) ( 0.00, 0.00, 0.00) 29 ( 0.408, 0.492, 0.031) ( 0.409, 0.493, 0.034) ( 0.03, 0.06, 0.01) bond ( -1.093, 2.730, 5.745) ( -1.093, 2.731, 5.748) ( 0.01, 0.02, 0.04) angle ( -0.447, -1.804, 0.772) ( -0.446, -1.803, 0.772) ( 0.03, 0.03, 0.01) strbnd ( -0.651, -1.825, -2.101) ( -0.651, -1.825, -2.101) ( 0.00, 0.00, 0.00) torsion ( 1.322, -0.173, 0.334) ( 1.322, -0.173, 0.334) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.277, 1.563, -4.719) ( 1.277, 1.563, -4.719) ( 0.01, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( 0.503, 0.033, 0.106) ( 0.504, 0.034, 0.109) ( 0.04, 0.00, 0.03) bond ( 0.388, -0.566, -1.877) ( 0.388, -0.566, -1.874) ( 0.01, 0.02, 0.16) angle ( -1.222, 1.435, -0.686) ( -1.222, 1.436, -0.686) ( 0.05, 0.04, 0.00) strbnd ( -0.562, 0.515, 1.009) ( -0.562, 0.515, 1.009) ( 0.00, 0.00, 0.00) torsion ( -1.037, 0.246, -0.289) ( -1.037, 0.246, -0.289) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.936, -1.598, 1.950) ( 2.936, -1.598, 1.950) ( 0.00, 0.01, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 31 ( 0.438, 0.182, 0.134) ( 0.439, 0.183, 0.137) ( 0.04, 0.02, 0.04) bond ( -1.114, 1.979, 6.032) ( -1.114, 1.980, 6.035) ( 0.01, 0.02, 0.05) angle ( -0.690, 1.900, -0.751) ( -0.689, 1.901, -0.751) ( 0.04, 0.03, 0.01) strbnd ( 0.022, -0.078, -2.039) ( 0.022, -0.078, -2.039) ( 0.00, 0.00, 0.00) torsion ( 0.783, 1.067, -0.206) ( 0.783, 1.067, -0.206) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.437, -4.688, -2.903) ( 1.437, -4.687, -2.903) ( 0.01, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 32 ( 1.763, 0.235, -0.010) ( 1.764, 0.236, -0.007) ( 0.05, 0.03, 0.00) bond ( -0.495, 1.091, 2.241) ( -0.495, 1.092, 2.244) ( 0.01, 0.06, 0.12) angle ( -0.145, 0.135, -0.098) ( -0.144, 0.135, -0.098) ( 0.01, 0.01, 0.00) strbnd ( -0.003, -0.325, -0.202) ( -0.003, -0.325, -0.202) ( 0.00, 0.00, 0.00) torsion ( 1.861, 0.535, 0.150) ( 1.861, 0.535, 0.150) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.545, -1.202, -2.101) ( 0.545, -1.202, -2.101) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 33 ( 0.648, 0.036, -0.155) ( 0.650, 0.037, -0.153) ( 0.11, 0.00, 0.03) bond ( 2.130, -0.511, 2.443) ( 2.132, -0.511, 2.445) ( 0.07, 0.00, 0.08) angle ( 2.580, -0.905, -2.439) ( 2.580, -0.904, -2.439) ( 0.01, 0.05, 0.01) strbnd ( -0.613, 0.221, -1.607) ( -0.613, 0.221, -1.607) ( 0.00, 0.00, 0.00) torsion ( -2.226, 0.124, 1.967) ( -2.226, 0.125, 1.967) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.223, 1.107, -0.518) ( -1.223, 1.107, -0.518) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 34 ( 0.623, -0.025, -0.099) ( 0.624, -0.024, -0.096) ( 0.07, 0.00, 0.02) bond ( 1.205, -1.083, -2.206) ( 1.205, -1.082, -2.204) ( 0.05, 0.05, 0.10) angle ( 4.429, -0.679, 2.755) ( 4.430, -0.679, 2.755) ( 0.01, 0.03, 0.01) strbnd ( -0.025, 0.560, 1.229) ( -0.025, 0.560, 1.229) ( 0.00, 0.00, 0.00) torsion ( -1.189, -0.747, -0.284) ( -1.189, -0.747, -0.284) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.797, 1.923, -1.593) ( -3.797, 1.923, -1.593) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 35 ( 0.727, 0.236, 0.113) ( 0.728, 0.237, 0.115) ( 0.07, 0.02, 0.03) bond ( -1.135, 1.111, 3.160) ( -1.134, 1.111, 3.163) ( 0.03, 0.03, 0.08) angle ( 2.191, 0.137, 0.737) ( 2.191, 0.138, 0.737) ( 0.03, 0.01, 0.01) strbnd ( 1.028, -1.182, -0.643) ( 1.028, -1.182, -0.643) ( 0.00, 0.00, 0.00) torsion ( 0.059, -1.190, 0.439) ( 0.059, -1.190, 0.439) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.416, 1.359, -3.581) ( -1.416, 1.359, -3.581) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 36 ( 0.488, 0.270, -0.116) ( 0.489, 0.274, -0.116) ( 0.04, 0.09, 0.01) bond ( 0.456, -2.299, 0.220) ( 0.456, -2.296, 0.220) ( 0.01, 0.14, 0.00) angle ( 2.467, 0.624, 1.393) ( 2.468, 0.624, 1.393) ( 0.02, 0.00, 0.04) strbnd ( 0.024, 1.326, 0.945) ( 0.024, 1.326, 0.945) ( 0.00, 0.00, 0.00) torsion ( 0.177, -0.003, -0.400) ( 0.177, -0.003, -0.399) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.636, 0.622, -2.274) ( -2.636, 0.622, -2.274) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 37 ( 0.151, 1.287, 0.431) ( 0.152, 1.288, 0.434) ( 0.02, 0.05, 0.13) bond ( 1.073, -0.388, -2.975) ( 1.074, -0.388, -2.972) ( 0.04, 0.00, 0.10) angle ( -0.794, 2.840, -0.658) ( -0.793, 2.841, -0.658) ( 0.04, 0.02, 0.00) strbnd ( -0.284, 0.981, 1.653) ( -0.284, 0.981, 1.653) ( 0.00, 0.00, 0.00) torsion ( -1.057, -0.640, -0.298) ( -1.057, -0.640, -0.298) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.212, -1.506, 2.709) ( 1.212, -1.506, 2.709) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 38 ( 0.339, 0.476, 1.257) ( 0.340, 0.479, 1.258) ( 0.03, 0.15, 0.04) bond ( -0.805, 4.071, 0.318) ( -0.805, 4.074, 0.318) ( 0.01, 0.08, 0.00) angle ( 5.353, 1.181, -1.582) ( 5.354, 1.181, -1.581) ( 0.01, 0.00, 0.03) strbnd ( 0.930, -1.391, -0.658) ( 0.930, -1.391, -0.658) ( 0.00, 0.00, 0.00) torsion ( -1.899, -0.571, 2.506) ( -1.899, -0.571, 2.506) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.240, -2.814, 0.673) ( -3.240, -2.814, 0.673) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 39 ( 0.197, 1.934, -0.224) ( 0.197, 1.941, -0.201) ( 0.01, 0.38, 0.52) bond ( -0.322, 6.022, -1.065) ( -0.322, 6.026, -1.065) ( 0.00, 0.06, 0.01) angle ( -3.546, -0.243, -0.303) ( -3.546, -0.243, -0.303) ( 0.02, 0.00, 0.00) strbnd ( 0.529, -2.091, 0.417) ( 0.529, -2.091, 0.417) ( 0.00, 0.00, 0.00) torsion ( 0.017, 0.060, 0.336) ( 0.017, 0.060, 0.337) ( 0.00, 0.00, 0.01) oop ( 0.010, -0.029, -0.170) ( 0.009, -0.026, -0.147) ( 0.00, 0.01, 0.39) vdw ( 2.635, -1.088, 0.220) ( 2.635, -1.088, 0.220) ( 0.00, 0.00, 0.00) electro ( 0.875, -0.697, 0.340) ( 0.875, -0.697, 0.340) ( 0.00, 0.00, 0.00) 40 ( 0.840, -0.019, -0.312) ( 0.841, -0.018, -0.309) ( 0.11, 0.00, 0.07) bond ( -1.264, 0.699, -1.919) ( -1.263, 0.699, -1.917) ( 0.07, 0.02, 0.11) angle ( 0.476, 0.291, -0.208) ( 0.477, 0.292, -0.208) ( 0.02, 0.02, 0.00) strbnd ( 0.323, 0.150, 1.507) ( 0.323, 0.150, 1.507) ( 0.00, 0.00, 0.00) torsion ( 0.949, 0.716, -0.364) ( 0.949, 0.716, -0.364) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.355, -1.875, 0.672) ( 0.355, -1.875, 0.672) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 41 ( 0.302, 0.253, -0.644) ( 0.303, 0.254, -0.641) ( 0.04, 0.02, 0.15) bond ( -1.052, 0.652, 1.694) ( -1.051, 0.653, 1.696) ( 0.08, 0.02, 0.13) angle ( 1.336, 3.153, -0.385) ( 1.337, 3.153, -0.384) ( 0.03, 0.02, 0.01) strbnd ( 0.202, 0.175, -1.360) ( 0.202, 0.175, -1.360) ( 0.00, 0.00, 0.00) torsion ( -0.348, -0.299, -0.101) ( -0.348, -0.299, -0.101) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.164, -3.428, -0.491) ( 0.164, -3.428, -0.491) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 42 ( 0.242, -0.051, 0.087) ( 0.243, -0.051, 0.090) ( 0.02, 0.00, 0.03) bond ( 0.344, 0.091, -1.789) ( 0.344, 0.091, -1.786) ( 0.00, 0.00, 0.18) angle ( -2.274, 1.718, -0.351) ( -2.274, 1.718, -0.351) ( 0.02, 0.03, 0.00) strbnd ( 0.055, 0.966, 0.467) ( 0.055, 0.966, 0.467) ( 0.00, 0.00, 0.00) torsion ( 0.347, 0.529, 0.094) ( 0.347, 0.529, 0.094) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.770, -3.355, 1.666) ( 1.770, -3.355, 1.666) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 43 ( 0.647, 0.422, -0.099) ( 0.648, 0.424, -0.099) ( 0.07, 0.12, 0.01) bond ( -0.598, 1.361, 0.419) ( -0.597, 1.363, 0.420) ( 0.03, 0.19, 0.01) angle ( 0.254, 1.061, -3.086) ( 0.255, 1.061, -3.085) ( 0.01, 0.01, 0.02) strbnd ( 0.585, 0.274, -0.771) ( 0.585, 0.274, -0.771) ( 0.00, 0.00, 0.00) torsion ( -0.431, -0.894, 2.291) ( -0.431, -0.894, 2.291) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.837, -1.379, 1.046) ( 0.837, -1.379, 1.046) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 44 ( -0.948, 0.980, 0.797) ( -0.947, 0.982, 0.799) ( 0.08, 0.11, 0.21) bond ( -0.079, -0.094, -0.209) ( -0.078, -0.094, -0.207) ( 0.00, 0.00, 0.05) angle ( -1.561, 3.754, -1.115) ( -1.561, 3.755, -1.115) ( 0.03, 0.01, 0.01) strbnd ( -1.025, 0.299, 0.384) ( -1.025, 0.299, 0.384) ( 0.00, 0.00, 0.00) torsion ( 0.309, -1.025, 0.349) ( 0.309, -1.025, 0.349) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.408, -1.954, 1.389) ( 1.408, -1.954, 1.389) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 45 ( 0.684, 0.907, 1.369) ( 0.687, 0.908, 1.370) ( 0.16, 0.08, 0.09) bond ( -1.901, 0.820, 1.194) ( -1.899, 0.820, 1.195) ( 0.11, 0.03, 0.07) angle ( -0.217, -0.147, -0.244) ( -0.216, -0.146, -0.243) ( 0.00, 0.01, 0.01) strbnd ( -0.303, -0.559, -1.117) ( -0.303, -0.559, -1.117) ( 0.00, 0.00, 0.00) torsion ( 1.043, 1.144, 0.873) ( 1.043, 1.144, 0.873) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.062, -0.352, 0.663) ( 2.062, -0.352, 0.663) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 46 ( 0.367, -0.348, 0.007) ( 0.368, -0.346, 0.010) ( 0.03, 0.04, 0.00) bond ( -0.743, 1.942, 5.648) ( -0.743, 1.943, 5.651) ( 0.01, 0.02, 0.05) angle ( -0.834, 2.429, -0.945) ( -0.833, 2.430, -0.945) ( 0.05, 0.03, 0.01) strbnd ( -0.401, -0.284, -2.968) ( -0.401, -0.284, -2.968) ( 0.00, 0.00, 0.00) torsion ( -0.439, -1.217, 0.361) ( -0.439, -1.217, 0.361) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.784, -3.218, -2.089) ( 2.784, -3.218, -2.089) ( 0.00, 0.01, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 47 ( 0.015, -0.265, 0.203) ( 0.016, -0.264, 0.204) ( 0.00, 0.04, 0.03) bond ( 0.405, -0.387, -0.424) ( 0.406, -0.386, -0.423) ( 0.05, 0.04, 0.05) angle ( -2.172, -2.780, 0.450) ( -2.171, -2.779, 0.451) ( 0.02, 0.01, 0.02) strbnd ( -0.734, 0.044, 1.793) ( -0.734, 0.044, 1.793) ( 0.00, 0.00, 0.00) torsion ( -0.276, -0.075, -0.196) ( -0.276, -0.075, -0.196) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.791, 2.933, -1.421) ( 2.791, 2.933, -1.421) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 48 ( -0.723, -0.153, -2.370) ( -0.721, -0.151, -2.369) ( 0.12, 0.03, 0.05) bond ( -0.977, 1.037, 0.786) ( -0.976, 1.038, 0.787) ( 0.12, 0.13, 0.06) angle ( -0.242, 0.074, -0.397) ( -0.241, 0.074, -0.397) ( 0.01, 0.00, 0.01) strbnd ( 0.015, -0.149, -2.101) ( 0.015, -0.149, -2.101) ( 0.00, 0.00, 0.00) torsion ( -0.303, 0.391, -0.890) ( -0.303, 0.391, -0.890) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.783, -1.505, 0.233) ( 0.783, -1.505, 0.233) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 49 ( 0.608, -1.419, -1.523) ( 0.609, -1.418, -1.520) ( 0.04, 0.06, 0.21) bond ( -0.234, 0.800, -3.501) ( -0.234, 0.800, -3.498) ( 0.00, 0.01, 0.09) angle ( -0.364, -2.283, -0.498) ( -0.363, -2.283, -0.498) ( 0.02, 0.02, 0.00) strbnd ( -1.308, 0.802, 1.925) ( -1.308, 0.802, 1.925) ( 0.00, 0.00, 0.00) torsion ( 1.209, -1.267, -0.371) ( 1.209, -1.267, -0.371) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.305, 0.529, 0.922) ( 1.305, 0.529, 0.922) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 50 ( -1.926, -0.688, -1.325) ( -1.925, -0.687, -1.323) ( 0.05, 0.11, 0.15) bond ( 1.132, -1.684, -2.127) ( 1.132, -1.683, -2.125) ( 0.04, 0.07, 0.08) angle ( -0.386, 0.713, -0.771) ( -0.386, 0.714, -0.771) ( 0.02, 0.03, 0.02) strbnd ( -0.234, -0.477, 1.916) ( -0.234, -0.478, 1.916) ( 0.00, 0.00, 0.00) torsion ( -0.839, 0.814, -1.092) ( -0.839, 0.814, -1.092) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.600, -0.054, 0.749) ( -1.600, -0.054, 0.749) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 51 ( 0.141, -0.997, -1.237) ( 0.142, -0.996, -1.234) ( 0.01, 0.10, 0.23) bond ( -0.459, 0.602, -1.366) ( -0.459, 0.603, -1.364) ( 0.01, 0.03, 0.19) angle ( -4.840, -2.593, 0.483) ( -4.839, -2.592, 0.483) ( 0.01, 0.02, 0.01) strbnd ( -0.066, -0.914, -1.669) ( -0.066, -0.914, -1.669) ( 0.00, 0.00, 0.00) torsion ( 0.609, -0.569, -0.456) ( 0.609, -0.569, -0.456) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.897, 2.477, 1.772) ( 4.897, 2.477, 1.772) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 52 ( -2.339, 0.741, 1.932) ( -2.338, 0.742, 1.935) ( 0.04, 0.05, 0.15) bond ( -0.579, 0.431, -1.609) ( -0.579, 0.431, -1.606) ( 0.02, 0.01, 0.17) angle ( -0.609, 2.084, 0.779) ( -0.609, 2.085, 0.779) ( 0.03, 0.02, 0.01) strbnd ( 0.098, 0.859, 1.399) ( 0.098, 0.859, 1.399) ( 0.00, 0.00, 0.00) torsion ( -0.384, -0.338, 0.048) ( -0.384, -0.338, 0.048) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.864, -2.295, 1.315) ( -0.864, -2.295, 1.315) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 53 ( 0.056, -1.491, 2.539) ( 0.057, -1.489, 2.541) ( 0.01, 0.13, 0.06) bond ( -1.594, 2.825, 2.595) ( -1.593, 2.827, 2.597) ( 0.03, 0.05, 0.05) angle ( -1.514, -2.295, 1.569) ( -1.514, -2.295, 1.569) ( 0.03, 0.01, 0.02) strbnd ( 0.494, -0.602, -2.308) ( 0.494, -0.602, -2.308) ( 0.00, 0.00, 0.00) torsion ( 1.240, -0.042, 0.806) ( 1.240, -0.042, 0.806) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.431, -1.377, -0.123) ( 1.431, -1.377, -0.123) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 54 ( -1.751, -1.353, 0.152) ( -1.750, -1.352, 0.155) ( 0.04, 0.06, 0.05) bond ( -0.353, 0.090, 4.018) ( -0.353, 0.090, 4.021) ( 0.00, 0.00, 0.08) angle ( -0.173, -0.584, -0.002) ( -0.173, -0.583, -0.002) ( 0.01, 0.04, 0.00) strbnd ( 0.100, -0.938, -1.958) ( 0.100, -0.938, -1.958) ( 0.00, 0.00, 0.00) torsion ( -1.477, -0.328, -0.122) ( -1.476, -0.328, -0.122) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.153, 0.407, -1.784) ( 0.153, 0.407, -1.784) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 55 ( -0.691, -0.566, -0.526) ( -0.688, -0.566, -0.525) ( 0.22, 0.04, 0.04) bond ( -0.658, -0.057, -0.193) ( -0.655, -0.057, -0.193) ( 0.21, 0.00, 0.01) angle ( 0.205, -4.548, 0.655) ( 0.205, -4.547, 0.655) ( 0.00, 0.01, 0.03) strbnd ( -0.169, -0.573, -0.356) ( -0.169, -0.573, -0.356) ( 0.00, 0.00, 0.00) torsion ( 0.064, 0.110, -0.250) ( 0.064, 0.110, -0.250) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.132, 4.501, -0.381) ( -0.132, 4.502, -0.381) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 56 ( -1.939, -2.205, 0.809) ( -1.938, -2.204, 0.812) ( 0.03, 0.03, 0.27) bond ( -0.033, -0.223, -1.036) ( -0.033, -0.223, -1.033) ( 0.00, 0.00, 0.31) angle ( 0.267, -3.200, 0.682) ( 0.267, -3.200, 0.682) ( 0.01, 0.02, 0.00) strbnd ( 0.445, -0.392, 0.323) ( 0.445, -0.392, 0.323) ( 0.00, 0.00, 0.00) torsion ( -0.267, -0.189, 0.049) ( -0.267, -0.189, 0.049) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.350, 1.799, 0.791) ( -2.350, 1.799, 0.791) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 57 ( -0.222, -0.711, 1.702) ( -0.221, -0.708, 1.703) ( 0.02, 0.16, 0.07) bond ( -1.423, -3.015, 1.849) ( -1.423, -3.013, 1.849) ( 0.03, 0.07, 0.04) angle ( 1.191, -0.586, -0.038) ( 1.192, -0.586, -0.038) ( 0.04, 0.01, 0.00) strbnd ( 0.927, 0.636, -0.840) ( 0.927, 0.636, -0.840) ( 0.00, 0.00, 0.00) torsion ( 0.670, 0.208, 0.854) ( 0.670, 0.208, 0.854) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.587, 2.046, -0.123) ( -1.587, 2.046, -0.123) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 58 ( -1.065, -1.279, -1.213) ( -1.063, -1.277, -1.212) ( 0.14, 0.19, 0.05) bond ( -0.341, 0.461, 0.108) ( -0.340, 0.463, 0.108) ( 0.04, 0.10, 0.00) angle ( -2.386, -1.529, -0.965) ( -2.386, -1.529, -0.964) ( 0.01, 0.01, 0.04) strbnd ( -0.455, -0.647, -0.480) ( -0.455, -0.647, -0.480) ( 0.00, 0.00, 0.00) torsion ( 0.014, 0.020, -0.041) ( 0.014, 0.020, -0.041) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.104, 0.416, 0.164) ( 2.104, 0.416, 0.164) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 59 ( -1.070, -1.140, -0.343) ( -1.069, -1.138, -0.342) ( 0.10, 0.20, 0.03) bond ( -1.369, -2.487, 1.248) ( -1.368, -2.484, 1.248) ( 0.05, 0.09, 0.04) angle ( -1.624, 0.072, -1.636) ( -1.623, 0.072, -1.636) ( 0.03, 0.00, 0.03) strbnd ( -0.372, 0.804, -0.765) ( -0.372, 0.804, -0.765) ( 0.00, 0.00, 0.00) torsion ( -0.290, 0.448, 0.574) ( -0.290, 0.448, 0.574) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.584, 0.022, 0.237) ( 2.584, 0.022, 0.237) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 60 ( -0.358, -1.910, -0.423) ( -0.357, -1.909, -0.420) ( 0.02, 0.03, 0.14) bond ( 0.061, -0.358, -2.470) ( 0.061, -0.358, -2.467) ( 0.00, 0.00, 0.13) angle ( -2.334, -1.222, 0.119) ( -2.334, -1.222, 0.119) ( 0.02, 0.04, 0.00) strbnd ( -0.879, 0.068, 0.565) ( -0.879, 0.068, 0.565) ( 0.00, 0.00, 0.00) torsion ( 0.016, -0.218, 0.032) ( 0.016, -0.218, 0.032) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.778, -0.179, 1.331) ( 2.778, -0.179, 1.331) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 61 ( -1.170, -0.189, 0.037) ( -1.168, -0.188, 0.038) ( 0.25, 0.01, 0.00) bond ( -0.428, -0.103, -0.175) ( -0.426, -0.103, -0.175) ( 0.12, 0.00, 0.01) angle ( -0.331, -3.245, 2.709) ( -0.331, -3.244, 2.710) ( 0.00, 0.01, 0.02) strbnd ( -0.890, -0.655, 0.505) ( -0.890, -0.655, 0.505) ( 0.00, 0.00, 0.00) torsion ( -0.146, 0.349, 0.151) ( -0.146, 0.349, 0.152) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.626, 3.464, -3.153) ( 0.626, 3.464, -3.153) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 62 ( -1.757, 0.318, 0.260) ( -1.756, 0.322, 0.261) ( 0.03, 0.11, 0.02) bond ( 0.021, 0.242, -0.008) ( 0.021, 0.246, -0.008) ( 0.00, 0.08, 0.00) angle ( 2.576, -0.098, 3.676) ( 2.576, -0.098, 3.677) ( 0.02, 0.00, 0.01) strbnd ( 0.261, 0.641, 0.904) ( 0.261, 0.642, 0.904) ( 0.00, 0.00, 0.00) torsion ( 1.156, -0.106, -0.183) ( 1.156, -0.106, -0.183) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.770, -0.362, -4.129) ( -5.770, -0.362, -4.129) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 63 ( -1.163, 0.855, -0.571) ( -1.161, 0.856, -0.570) ( 0.16, 0.08, 0.09) bond ( -1.786, 1.024, 1.583) ( -1.785, 1.024, 1.584) ( 0.09, 0.05, 0.08) angle ( 0.428, -0.094, 0.542) ( 0.428, -0.094, 0.543) ( 0.01, 0.00, 0.02) strbnd ( 0.673, -0.673, 0.446) ( 0.673, -0.673, 0.446) ( 0.00, 0.00, 0.00) torsion ( -0.227, -0.276, -0.077) ( -0.227, -0.276, -0.077) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.250, 0.874, -3.065) ( -0.250, 0.874, -3.065) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 64 ( 0.790, -0.989, 0.790) ( 0.793, -0.989, 0.791) ( 0.25, 0.06, 0.06) bond ( 0.666, 0.107, -0.162) ( 0.670, 0.108, -0.162) ( 0.21, 0.00, 0.00) angle ( -0.821, -2.989, -5.388) ( -0.821, -2.989, -5.387) ( 0.00, 0.02, 0.01) strbnd ( -1.303, -0.763, -0.758) ( -1.303, -0.763, -0.758) ( 0.00, 0.00, 0.00) torsion ( 0.159, -0.563, 0.283) ( 0.159, -0.563, 0.283) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.089, 3.218, 6.815) ( 2.089, 3.218, 6.815) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 65 ( 1.612, 1.583, -0.244) ( 1.613, 1.584, -0.242) ( 0.09, 0.07, 0.05) bond ( -0.305, 0.226, -0.426) ( -0.304, 0.227, -0.424) ( 0.03, 0.01, 0.08) angle ( 3.626, -2.262, -3.808) ( 3.626, -2.262, -3.808) ( 0.01, 0.02, 0.01) strbnd ( 0.994, -1.017, -0.192) ( 0.994, -1.017, -0.192) ( 0.00, 0.00, 0.00) torsion ( 0.256, 0.264, -0.043) ( 0.256, 0.264, -0.043) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.959, 4.372, 4.225) ( -2.958, 4.372, 4.225) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 66 ( -1.078, 0.552, -0.760) ( -1.078, 0.556, -0.759) ( 0.06, 0.19, 0.05) bond ( 0.016, 0.113, 0.003) ( 0.016, 0.116, 0.003) ( 0.00, 0.04, 0.00) angle ( 2.563, -0.264, -3.412) ( 2.563, -0.264, -3.411) ( 0.02, 0.00, 0.02) strbnd ( 0.510, 0.950, -1.109) ( 0.510, 0.950, -1.109) ( 0.00, 0.00, 0.00) torsion ( -0.450, 0.067, -0.151) ( -0.450, 0.067, -0.151) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.718, -0.314, 3.909) ( -3.717, -0.314, 3.909) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 67 ( 0.335, 0.250, 0.082) ( 0.336, 0.253, 0.082) ( 0.02, 0.08, 0.00) bond ( 0.214, -2.095, 0.090) ( 0.214, -2.092, 0.090) ( 0.00, 0.16, 0.00) angle ( 1.574, 0.246, 1.978) ( 1.575, 0.246, 1.979) ( 0.04, 0.00, 0.03) strbnd ( -0.777, 1.004, 0.844) ( -0.777, 1.004, 0.844) ( 0.00, 0.00, 0.00) torsion ( 0.181, -0.026, -1.050) ( 0.181, -0.026, -1.050) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.857, 1.121, -1.781) ( -0.857, 1.121, -1.781) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 68 ( 0.121, 0.190, 0.044) ( 0.122, 0.191, 0.047) ( 0.01, 0.02, 0.01) bond ( -0.946, 0.945, 2.916) ( -0.946, 0.945, 2.919) ( 0.03, 0.03, 0.09) angle ( 2.086, -0.263, 0.761) ( 2.086, -0.263, 0.761) ( 0.03, 0.01, 0.01) strbnd ( 0.013, -1.433, -0.930) ( 0.013, -1.433, -0.930) ( 0.00, 0.00, 0.00) torsion ( 0.192, -1.114, 0.423) ( 0.192, -1.114, 0.423) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.224, 2.055, -3.126) ( -1.224, 2.055, -3.126) ( 0.01, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 69 ( 0.670, 0.306, 0.584) ( 0.671, 0.308, 0.587) ( 0.08, 0.04, 0.14) bond ( -0.089, 0.102, 0.156) ( -0.088, 0.103, 0.158) ( 0.01, 0.01, 0.03) angle ( 0.439, -2.980, 2.180) ( 0.440, -2.979, 2.180) ( 0.02, 0.02, 0.01) strbnd ( 0.329, 0.312, 1.723) ( 0.329, 0.312, 1.723) ( 0.00, 0.00, 0.00) torsion ( 0.972, -0.601, 0.932) ( 0.972, -0.601, 0.933) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.982, 3.473, -4.407) ( -0.982, 3.473, -4.407) ( 0.01, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 70 ( 0.106, 0.582, 0.566) ( 0.107, 0.583, 0.568) ( 0.02, 0.04, 0.13) bond ( 1.818, -0.560, 2.482) ( 1.819, -0.560, 2.484) ( 0.06, 0.01, 0.08) angle ( -0.401, -1.568, -0.060) ( -0.400, -1.567, -0.060) ( 0.01, 0.04, 0.00) strbnd ( -0.251, -0.339, -2.165) ( -0.251, -0.339, -2.165) ( 0.00, 0.00, 0.00) torsion ( -1.175, 0.745, 1.028) ( -1.175, 0.745, 1.028) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.115, 2.304, -0.719) ( 0.115, 2.304, -0.719) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 71 ( 0.738, 0.197, 0.250) ( 0.741, 0.198, 0.251) ( 0.20, 0.02, 0.02) bond ( 1.848, 0.749, -0.682) ( 1.850, 0.749, -0.682) ( 0.14, 0.03, 0.02) angle ( -0.676, -2.968, -5.094) ( -0.676, -2.967, -5.094) ( 0.01, 0.02, 0.01) strbnd ( -1.187, -1.166, -0.503) ( -1.187, -1.166, -0.503) ( 0.00, 0.00, 0.00) torsion ( 0.213, -0.324, 0.223) ( 0.213, -0.324, 0.223) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.541, 3.906, 6.307) ( 0.541, 3.906, 6.307) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 72 ( 0.699, 1.329, -0.078) ( 0.701, 1.330, -0.076) ( 0.13, 0.05, 0.02) bond ( -0.821, 0.235, -0.916) ( -0.820, 0.235, -0.914) ( 0.12, 0.00, 0.17) angle ( 3.757, -0.301, -3.447) ( 3.757, -0.301, -3.447) ( 0.01, 0.01, 0.01) strbnd ( 1.187, -0.802, -0.115) ( 1.187, -0.802, -0.115) ( 0.00, 0.00, 0.00) torsion ( -0.090, -0.149, 0.042) ( -0.090, -0.149, 0.042) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.334, 2.346, 4.357) ( -3.333, 2.346, 4.357) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 73 ( -0.259, 0.501, -0.385) ( -0.258, 0.505, -0.385) ( 0.01, 0.17, 0.02) bond ( -0.024, 0.218, -0.017) ( -0.024, 0.221, -0.017) ( 0.00, 0.07, 0.00) angle ( 2.747, 0.023, -3.607) ( 2.748, 0.023, -3.606) ( 0.02, 0.00, 0.02) strbnd ( 0.214, 0.580, -1.173) ( 0.214, 0.580, -1.173) ( 0.00, 0.00, 0.00) torsion ( -0.122, -0.015, -0.032) ( -0.122, -0.015, -0.032) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.075, -0.304, 4.442) ( -3.075, -0.304, 4.443) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 74 ( 0.198, 2.184, -1.550) ( 0.200, 2.185, -1.547) ( 0.04, 0.04, 0.23) bond ( -0.028, -0.019, -0.043) ( -0.027, -0.018, -0.040) ( 0.00, 0.00, 0.01) angle ( 2.217, 0.907, -1.911) ( 2.217, 0.907, -1.911) ( 0.01, 0.00, 0.01) strbnd ( 0.644, 0.343, 0.113) ( 0.644, 0.343, 0.113) ( 0.01, 0.00, 0.00) torsion ( -0.820, 1.602, -0.191) ( -0.820, 1.602, -0.191) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.896, -0.668, 0.650) ( -1.896, -0.668, 0.650) ( 0.00, 0.00, 0.00) electro ( 0.081, 0.018, -0.168) ( 0.081, 0.018, -0.168) ( 0.00, 0.00, 0.00) ok 22 # gradients ok 23 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -0.188, -0.096, -0.051) ( -0.199, -0.052, -0.005) ( 0.20, 0.42, 0.24) bond ( 6.718, 6.276, -0.511) ( 6.723, 6.283, -0.510) ( 0.07, 0.11, 0.05) angle ( 7.350, 2.161, 1.524) ( 7.352, 2.163, 1.524) ( 0.02, 0.08, 0.00) strbnd ( -5.562, -3.003, -0.620) ( -5.562, -3.004, -0.620) ( 0.00, 0.02, 0.00) torsion ( 0.209, -0.213, -0.135) ( 0.209, -0.213, -0.134) ( 0.00, 0.00, 0.01) oop ( 0.102, -0.210, -0.295) ( 0.085, -0.175, -0.250) ( 0.17, 0.74, 1.31) vdw ( -9.274, -5.085, -0.061) ( -9.274, -5.085, -0.061) ( 0.00, 0.00, 0.00) electro ( 0.268, -0.021, 0.047) ( 0.268, -0.021, 0.047) ( 0.00, 0.00, 0.00) 2 ( -0.091, -0.060, -0.056) ( -0.090, -0.044, -0.030) ( 0.01, 0.09, 0.14) bond ( 5.859, -4.939, 3.180) ( 5.864, -4.931, 3.182) ( 0.09, 0.16, 0.04) angle ( -5.582, 0.865, -2.937) ( -5.580, 0.867, -2.937) ( 0.03, 0.13, 0.01) strbnd ( 3.439, -2.665, 1.582) ( 3.438, -2.666, 1.582) ( 0.02, 0.03, 0.00) torsion ( -0.645, 0.747, 3.059) ( -0.645, 0.747, 3.060) ( 0.01, 0.01, 0.04) oop ( 0.034, -0.042, -0.149) ( 0.029, -0.036, -0.126) ( 0.02, 0.03, 0.35) vdw ( -3.802, 4.778, -4.508) ( -3.801, 4.778, -4.508) ( 0.01, 0.00, 0.00) electro ( 0.606, 1.196, -0.282) ( 0.606, 1.196, -0.282) ( 0.00, 0.00, 0.00) 3 ( 0.200, -0.018, -0.182) ( 0.192, -0.006, -0.027) ( 0.16, 0.02, 2.83) bond ( 8.537, 8.504, 0.695) ( 8.543, 8.515, 0.695) ( 0.06, 0.14, 0.00) angle (-28.587, -3.313, -5.216) (-28.584, -3.311, -5.216) ( 0.01, 0.05, 0.00) strbnd ( 13.895, 1.569, 1.674) ( 13.894, 1.567, 1.674) ( 0.01, 0.12, 0.00) torsion ( -0.070, 0.291, -0.883) ( -0.070, 0.291, -0.883) ( 0.00, 0.00, 0.04) oop ( 0.085, -0.003, -0.855) ( 0.070, -0.003, -0.700) ( 0.13, 0.00, 13.23) vdw ( -3.152, -1.167, -0.567) ( -3.152, -1.167, -0.567) ( 0.00, 0.00, 0.00) electro ( 9.492, -5.898, 4.971) ( 9.492, -5.898, 4.971) ( 0.00, 0.00, 0.00) 4 ( 0.068, 0.192, 0.159) ( 0.107, 0.130, -0.008) ( 0.27, 1.19, 2.64) bond ( 5.784, 6.960, -1.839) ( 5.788, 6.969, -1.837) ( 0.07, 0.13, 0.11) angle ( 0.982, -10.064, 4.762) ( 0.983, -10.062, 4.762) ( 0.17, 0.02, 0.00) strbnd ( 2.113, 6.313, -2.390) ( 2.113, 6.312, -2.391) ( 0.01, 0.02, 0.01) torsion ( 0.211, -0.053, -0.431) ( 0.211, -0.052, -0.430) ( 0.00, 0.00, 0.02) oop ( -0.201, 0.426, 1.012) ( -0.167, 0.355, 0.843) ( 0.68, 3.05, 16.69) vdw ( -0.575, -5.329, 2.147) ( -0.575, -5.329, 2.147) ( 0.00, 0.00, 0.00) electro ( -8.246, 1.938, -3.102) ( -8.246, 1.938, -3.102) ( 0.00, 0.00, 0.00) 5 ( -0.011, -0.146, -0.052) ( -0.021, -0.112, 0.008) ( 0.01, 0.49, 0.32) bond ( 0.169, 6.053, -2.652) ( 0.169, 6.060, -2.651) ( 0.00, 0.13, 0.06) angle ( -0.570, -0.029, -0.102) ( -0.569, -0.029, -0.102) ( 0.04, 0.00, 0.00) strbnd ( -0.449, -0.737, 0.244) ( -0.449, -0.737, 0.244) ( 0.00, 0.00, 0.00) torsion ( 0.351, -0.798, -1.802) ( 0.351, -0.798, -1.802) ( 0.00, 0.00, 0.00) oop ( 0.063, -0.144, -0.325) ( 0.052, -0.118, -0.265) ( 0.07, 0.38, 1.92) vdw ( -5.042, -4.784, 2.331) ( -5.041, -4.784, 2.331) ( 0.00, 0.00, 0.00) electro ( 5.466, 0.293, 2.253) ( 5.466, 0.293, 2.253) ( 0.00, 0.00, 0.00) 6 ( 0.048, -0.085, -0.062) ( 0.044, -0.054, 0.004) ( 0.02, 0.27, 0.41) bond ( -0.057, 4.697, -1.723) ( -0.052, 4.701, -1.723) ( 0.03, 0.10, 0.04) angle ( 6.722, 9.815, -3.104) ( 6.724, 9.816, -3.104) ( 0.03, 0.02, 0.00) strbnd ( -8.096, -2.087, -0.459) ( -8.096, -2.087, -0.459) ( 0.00, 0.00, 0.00) torsion ( -0.110, 0.259, 0.519) ( -0.110, 0.259, 0.520) ( 0.00, 0.00, 0.06) oop ( 0.071, -0.161, -0.404) ( 0.060, -0.136, -0.340) ( 0.08, 0.40, 2.58) vdw ( 1.049, -12.118, 4.931) ( 1.049, -12.118, 4.931) ( 0.03, 0.00, 0.00) electro ( 0.469, -0.490, 0.178) ( 0.469, -0.490, 0.178) ( 0.00, 0.00, 0.00) 7 ( 0.011, 0.004, -0.004) ( 0.016, 0.016, 0.020) ( 0.01, 0.00, 0.01) bond ( 3.349, -0.633, 0.565) ( 3.354, -0.629, 0.566) ( 0.16, 0.29, 0.05) angle ( -2.010, -5.848, 0.374) ( -2.008, -5.846, 0.374) ( 0.11, 0.04, 0.01) strbnd ( -0.379, -1.736, 0.181) ( -0.380, -1.737, 0.181) ( 0.03, 0.03, 0.00) torsion ( -0.325, 0.273, 1.507) ( -0.325, 0.273, 1.508) ( 0.00, 0.00, 0.09) oop ( 0.017, -0.034, -0.134) ( 0.015, -0.028, -0.112) ( 0.00, 0.02, 0.29) vdw ( -0.926, 8.721, -2.733) ( -0.925, 8.721, -2.733) ( 0.03, 0.00, 0.00) electro ( 0.284, -0.738, 0.237) ( 0.284, -0.738, 0.237) ( 0.00, 0.00, 0.00) 8 ( -0.038, -0.007, -0.024) ( -0.033, 0.006, -0.005) ( 0.02, 0.01, 0.05) bond ( -2.335, 12.424, -4.470) ( -2.330, 12.429, -4.470) ( 0.23, 0.04, 0.02) angle ( -1.627, -0.904, 0.021) ( -1.626, -0.902, 0.021) ( 0.10, 0.16, 0.00) strbnd ( -5.052, -1.205, -0.263) ( -5.052, -1.206, -0.263) ( 0.00, 0.01, 0.00) torsion ( -0.060, 0.134, 0.425) ( -0.060, 0.134, 0.426) ( 0.00, 0.00, 0.05) oop ( 0.013, -0.035, -0.105) ( 0.011, -0.030, -0.088) ( 0.00, 0.02, 0.18) vdw ( 6.553, -10.647, 4.170) ( 6.553, -10.647, 4.170) ( 0.00, 0.00, 0.00) electro ( 2.471, 0.227, 0.198) ( 2.471, 0.227, 0.198) ( 0.00, 0.00, 0.00) 9 ( 0.068, 0.165, 0.082) ( 0.096, 0.132, -0.033) ( 0.19, 0.54, 0.94) bond ( 7.584, -6.522, 1.280) ( 7.590, -6.517, 1.281) ( 0.08, 0.07, 0.06) angle ( -6.868, -3.074, 6.963) ( -6.866, -3.072, 6.964) ( 0.03, 0.07, 0.01) strbnd ( -1.384, 3.697, -1.135) ( -1.385, 3.696, -1.136) ( 0.05, 0.02, 0.01) torsion ( 0.914, -1.383, -5.636) ( 0.914, -1.383, -5.635) ( 0.00, 0.01, 0.01) oop ( -0.133, 0.235, 0.708) ( -0.112, 0.195, 0.591) ( 0.28, 0.92, 8.29) vdw ( -1.168, 4.392, -3.048) ( -1.168, 4.393, -3.048) ( 0.00, 0.00, 0.00) electro ( 1.123, 2.820, 0.950) ( 1.123, 2.820, 0.950) ( 0.00, 0.00, 0.00) 10 ( -0.080, -0.040, -0.026) ( -0.075, -0.026, -0.009) ( 0.04, 0.06, 0.05) bond ( 2.250, -21.552, 7.812) ( 2.255, -21.547, 7.813) ( 0.22, 0.02, 0.01) angle ( 0.157, 10.838, -3.791) ( 0.158, 10.840, -3.791) ( 0.02, 0.02, 0.01) strbnd ( -4.774, 3.240, -1.394) ( -4.774, 3.239, -1.394) ( 0.00, 0.01, 0.00) torsion ( -0.412, 1.059, 3.327) ( -0.412, 1.059, 3.328) ( 0.00, 0.02, 0.04) oop ( 0.001, -0.020, -0.019) ( -0.000, -0.013, -0.004) ( 0.00, 0.01, 0.03) vdw ( 1.632, 4.936, -5.898) ( 1.632, 4.937, -5.898) ( 0.01, 0.01, 0.00) electro ( 1.066, 1.459, -0.063) ( 1.066, 1.459, -0.063) ( 0.00, 0.00, 0.00) 11 ( 0.070, -0.162, -0.073) ( 0.027, -0.066, 0.009) ( 0.31, 1.57, 0.61) bond (-16.382, -5.258, -0.908) (-16.377, -5.253, -0.907) ( 0.03, 0.09, 0.07) angle (-11.115, 1.090, 2.569) (-11.112, 1.092, 2.569) ( 0.02, 0.19, 0.01) strbnd ( 22.133, 1.950, 2.757) ( 22.132, 1.949, 2.757) ( 0.00, 0.03, 0.00) torsion ( -0.093, 0.026, -1.627) ( -0.093, 0.026, -1.626) ( 0.00, 0.00, 0.06) oop ( 0.396, -0.643, -0.208) ( 0.346, -0.553, -0.127) ( 2.00, 5.78, 1.67) vdw ( 4.671, 2.284, -2.768) ( 4.672, 2.284, -2.768) ( 0.00, 0.00, 0.00) electro ( 0.459, 0.390, 0.111) ( 0.459, 0.390, 0.111) ( 0.00, 0.00, 0.00) 12 ( -0.002, 0.033, 0.022) ( 0.002, 0.028, -0.000) ( 0.00, 0.02, 0.05) bond ( -0.083, -1.551, 0.585) ( -0.083, -1.548, 0.586) ( 0.00, 0.21, 0.03) angle ( -2.409, 0.039, -0.237) ( -2.408, 0.039, -0.237) ( 0.03, 0.00, 0.00) strbnd ( 0.317, 2.635, -1.018) ( 0.317, 2.635, -1.018) ( 0.00, 0.00, 0.00) torsion ( -0.335, 0.971, 2.518) ( -0.335, 0.971, 2.518) ( 0.00, 0.00, 0.01) oop ( -0.020, 0.060, 0.155) ( -0.017, 0.051, 0.132) ( 0.01, 0.05, 0.36) vdw ( 1.947, -0.339, -2.146) ( 1.947, -0.339, -2.146) ( 0.01, 0.00, 0.00) electro ( 0.582, -1.781, 0.164) ( 0.582, -1.781, 0.164) ( 0.00, 0.00, 0.00) 13 ( -0.131, 0.117, 0.103) ( -0.105, 0.076, -0.037) ( 0.34, 0.47, 1.45) bond (-10.578, 16.134, -6.570) (-10.572, 16.139, -6.569) ( 0.06, 0.03, 0.01) angle ( 3.774, -9.877, 3.575) ( 3.776, -9.875, 3.575) ( 0.06, 0.02, 0.00) strbnd ( 6.607, 8.014, -1.786) ( 6.607, 8.014, -1.786) ( 0.00, 0.00, 0.00) torsion ( 0.139, -0.606, -1.888) ( 0.139, -0.606, -1.887) ( 0.00, 0.01, 0.06) oop ( -0.104, 0.267, 0.810) ( -0.086, 0.220, 0.668) ( 0.18, 1.25, 11.54) vdw ( 2.473, -10.532, 5.124) ( 2.473, -10.532, 5.124) ( 0.01, 0.00, 0.00) electro ( -2.443, -3.284, 0.838) ( -2.443, -3.284, 0.838) ( 0.00, 0.00, 0.00) 14 ( -0.003, 0.005, 0.001) ( -0.002, 0.008, -0.001) ( 0.00, 0.00, 0.00) bond ( 0.027, 1.931, -0.640) ( 0.027, 1.934, -0.640) ( 0.00, 0.18, 0.02) angle ( -2.454, -0.061, -0.290) ( -2.454, -0.061, -0.290) ( 0.03, 0.00, 0.00) strbnd ( -0.157, -0.599, 0.177) ( -0.157, -0.599, 0.177) ( 0.00, 0.00, 0.00) torsion ( 0.008, -0.021, -0.062) ( 0.008, -0.021, -0.062) ( 0.00, 0.00, 0.00) oop ( -0.002, 0.005, 0.014) ( -0.001, 0.004, 0.011) ( 0.00, 0.00, 0.00) vdw ( 3.894, -1.054, 0.744) ( 3.894, -1.054, 0.744) ( 0.00, 0.00, 0.00) electro ( -1.319, -0.195, 0.058) ( -1.319, -0.195, 0.058) ( 0.00, 0.00, 0.00) 15 ( 0.084, -0.049, 0.001) ( 0.085, -0.040, 0.023) ( 0.00, 0.04, 0.00) bond ( 0.221, -0.141, 0.077) ( 0.224, -0.139, 0.077) ( 0.07, 0.02, 0.00) angle ( 4.781, 6.809, -1.605) ( 4.781, 6.810, -1.605) ( 0.01, 0.01, 0.00) strbnd ( -0.896, 1.110, -0.480) ( -0.896, 1.110, -0.480) ( 0.00, 0.00, 0.00) torsion ( 0.065, -0.159, -0.479) ( 0.065, -0.159, -0.479) ( 0.00, 0.00, 0.01) oop ( 0.019, -0.046, -0.139) ( 0.016, -0.039, -0.117) ( 0.01, 0.03, 0.30) vdw ( -4.637, -7.161, 2.713) ( -4.637, -7.161, 2.713) ( 0.00, 0.00, 0.00) electro ( 0.531, -0.461, -0.087) ( 0.531, -0.461, -0.087) ( 0.00, 0.00, 0.00) 16 ( -0.036, 0.120, -0.185) ( 0.001, 0.011, 0.028) ( 0.13, 1.30, 3.96) bond ( 11.932, 3.001, 15.852) ( 11.937, 3.005, 15.854) ( 0.04, 0.13, 0.01) angle ( 23.478, 14.321, -5.626) ( 23.480, 14.322, -5.625) ( 0.01, 0.01, 0.02) strbnd (-17.338, -10.628, -0.306) (-17.339, -10.629, -0.306) ( 0.01, 0.01, 0.01) torsion ( 2.457, -3.717, -2.036) ( 2.457, -3.717, -2.036) ( 0.00, 0.00, 0.01) oop ( -0.175, 1.180, -2.156) ( -0.144, 1.066, -1.945) ( 0.54, 9.63, 9.80) vdw ( -3.584, -3.576, 0.274) ( -3.584, -3.576, 0.274) ( 0.00, 0.00, 0.00) electro (-16.806, -0.461, -6.188) (-16.806, -0.461, -6.188) ( 0.00, 0.00, 0.00) 17 ( -0.042, -0.053, 0.059) ( -0.045, -0.033, 0.101) ( 0.01, 0.11, 0.25) bond ( -1.611, -0.017, 3.957) ( -1.609, -0.012, 3.962) ( 0.12, 0.01, 0.12) angle ( 6.180, 1.067, -5.100) ( 6.182, 1.069, -5.098) ( 0.03, 0.17, 0.04) strbnd ( 0.100, -7.392, 3.328) ( 0.099, -7.392, 3.327) ( 0.00, 0.01, 0.03) torsion ( 0.098, -0.377, 0.788) ( 0.098, -0.377, 0.788) ( 0.00, 0.00, 0.00) oop ( 0.041, -0.083, -0.211) ( 0.034, -0.069, -0.175) ( 0.03, 0.12, 0.75) vdw ( -4.964, 6.311, -2.568) ( -4.963, 6.311, -2.568) ( 0.00, 0.00, 0.00) electro ( 0.114, 0.437, -0.136) ( 0.114, 0.437, -0.136) ( 0.00, 0.00, 0.00) 18 ( 0.022, -0.013, 0.018) ( 0.025, -0.012, 0.017) ( 0.01, 0.00, 0.00) bond ( 2.427, -1.578, 1.180) ( 2.429, -1.577, 1.181) ( 0.09, 0.06, 0.04) angle ( 0.938, 1.300, -0.193) ( 0.938, 1.300, -0.193) ( 0.02, 0.03, 0.00) strbnd ( 0.253, 0.443, -0.086) ( 0.253, 0.443, -0.086) ( 0.00, 0.00, 0.00) torsion ( -0.194, 0.249, 0.730) ( -0.194, 0.249, 0.731) ( 0.00, 0.00, 0.02) oop ( -0.004, 0.005, 0.016) ( -0.004, 0.005, 0.014) ( 0.00, 0.00, 0.00) vdw ( -0.726, 0.545, -1.869) ( -0.726, 0.545, -1.869) ( 0.01, 0.01, 0.00) electro ( -2.672, -0.977, 0.240) ( -2.672, -0.977, 0.240) ( 0.00, 0.00, 0.00) 19 ( 0.012, -0.001, 0.074) ( 0.011, 0.052, 0.016) ( 0.00, 0.01, 0.42) bond ( 14.557, -7.075, -16.796) ( 14.561, -7.071, -16.792) ( 0.03, 0.06, 0.03) angle ( -6.287, 1.336, 9.984) ( -6.284, 1.338, 9.986) ( 0.04, 0.15, 0.02) strbnd ( -1.105, -2.672, 1.853) ( -1.106, -2.672, 1.852) ( 0.07, 0.04, 0.04) torsion ( -2.492, 2.882, -3.676) ( -2.492, 2.882, -3.676) ( 0.00, 0.00, 0.00) oop ( 0.033, -0.539, 0.714) ( 0.027, -0.492, 0.651) ( 0.02, 2.58, 4.51) vdw ( -0.883, 6.505, 5.249) ( -0.883, 6.505, 5.250) ( 0.01, 0.00, 0.00) electro ( -3.811, -0.439, 2.744) ( -3.811, -0.439, 2.744) ( 0.00, 0.00, 0.00) 20 ( -0.013, -0.015, 0.097) ( 0.002, 0.007, -0.001) ( 0.02, 0.03, 0.95) bond ( -3.175, 21.247, -4.289) ( -3.171, 21.251, -4.285) ( 0.12, 0.02, 0.11) angle ( -1.211, -12.477, 2.194) ( -1.209, -12.475, 2.196) ( 0.17, 0.02, 0.08) strbnd ( -3.415, -1.229, 2.715) ( -3.416, -1.230, 2.715) ( 0.04, 0.07, 0.01) torsion ( -0.125, 0.194, 3.424) ( -0.125, 0.195, 3.424) ( 0.00, 0.00, 0.00) oop ( -0.155, -0.246, 0.892) ( -0.144, -0.229, 0.787) ( 0.17, 0.40, 9.32) vdw ( 9.608, -0.387, -5.167) ( 9.608, -0.387, -5.167) ( 0.00, 0.01, 0.00) electro ( -1.539, -7.118, 0.328) ( -1.539, -7.118, 0.328) ( 0.00, 0.00, 0.00) 21 ( -0.002, -0.008, -0.022) ( 0.000, -0.007, -0.021) ( 0.00, 0.00, 0.00) bond ( 1.613, -1.085, 0.142) ( 1.615, -1.084, 0.142) ( 0.14, 0.10, 0.00) angle ( -3.259, -5.157, -2.297) ( -3.259, -5.157, -2.296) ( 0.01, 0.01, 0.02) strbnd ( -0.614, 0.250, -1.435) ( -0.614, 0.250, -1.435) ( 0.00, 0.00, 0.00) torsion ( 0.085, 0.141, 0.107) ( 0.085, 0.141, 0.107) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.173, 5.843, 3.461) ( 2.173, 5.843, 3.461) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 ( 0.001, 0.003, -0.029) ( 0.002, 0.004, -0.025) ( 0.00, 0.00, 0.01) bond ( -0.285, 1.036, -3.315) ( -0.285, 1.036, -3.312) ( 0.00, 0.03, 0.09) angle ( 0.181, -1.068, -0.350) ( 0.182, -1.067, -0.350) ( 0.01, 0.05, 0.00) strbnd ( 0.973, -1.118, 0.103) ( 0.973, -1.118, 0.103) ( 0.00, 0.00, 0.00) torsion ( 0.351, -0.744, -0.263) ( 0.351, -0.744, -0.263) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.220, 1.896, 3.796) ( -1.220, 1.896, 3.796) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( 0.003, -0.104, -0.010) ( 0.007, -0.098, -0.004) ( 0.00, 0.06, 0.01) bond ( -3.127, -17.812, 3.460) ( -3.123, -17.808, 3.465) ( 0.13, 0.02, 0.13) angle ( 0.202, 7.188, -7.171) ( 0.204, 7.190, -7.169) ( 0.04, 0.03, 0.02) strbnd ( 3.369, -1.380, -2.585) ( 3.367, -1.380, -2.585) ( 0.04, 0.05, 0.01) torsion ( -0.244, 1.380, 2.916) ( -0.244, 1.381, 2.917) ( 0.00, 0.01, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.952, 7.510, 2.573) ( -0.952, 7.510, 2.573) ( 0.00, 0.00, 0.00) electro ( 0.755, 3.009, 0.796) ( 0.755, 3.009, 0.796) ( 0.00, 0.00, 0.00) 24 ( 0.007, -0.018, -0.003) ( 0.008, -0.016, -0.001) ( 0.00, 0.00, 0.00) bond ( 0.060, 1.792, 1.597) ( 0.060, 1.794, 1.599) ( 0.00, 0.10, 0.09) angle ( -3.575, -1.364, 1.663) ( -3.575, -1.363, 1.664) ( 0.02, 0.02, 0.02) strbnd ( -0.521, 0.527, -1.117) ( -0.521, 0.527, -1.117) ( 0.00, 0.00, 0.00) torsion ( 0.187, -0.049, 0.048) ( 0.187, -0.049, 0.048) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 3.856, -0.925, -2.194) ( 3.857, -0.925, -2.194) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( 0.066, -0.058, -0.075) ( 0.072, -0.052, -0.069) ( 0.04, 0.03, 0.04) bond (-13.633, 0.941, 12.416) (-13.629, 0.945, 12.421) ( 0.03, 0.39, 0.04) angle ( 2.350, 2.416, -9.408) ( 2.353, 2.418, -9.406) ( 0.09, 0.08, 0.02) strbnd ( 0.055, 4.163, -0.501) ( 0.054, 4.162, -0.502) ( 0.00, 0.03, 0.04) torsion ( 2.065, -2.248, 1.183) ( 2.065, -2.248, 1.183) ( 0.00, 0.00, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 6.223, -3.991, -2.667) ( 6.223, -3.991, -2.667) ( 0.00, 0.00, 0.00) electro ( 3.006, -1.338, -1.097) ( 3.006, -1.338, -1.097) ( 0.00, 0.00, 0.00) 26 ( -0.004, -0.009, 0.017) ( -0.004, -0.008, 0.020) ( 0.00, 0.00, 0.01) bond ( -0.508, 1.114, -2.671) ( -0.508, 1.115, -2.668) ( 0.01, 0.04, 0.10) angle ( -3.386, -1.138, 0.169) ( -3.386, -1.138, 0.170) ( 0.02, 0.04, 0.00) strbnd ( -0.285, 1.027, 0.757) ( -0.285, 1.027, 0.757) ( 0.00, 0.00, 0.00) torsion ( -0.469, 0.506, 0.301) ( -0.469, 0.506, 0.301) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.645, -1.519, 1.461) ( 4.645, -1.518, 1.461) ( 0.00, 0.01, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 27 ( -0.053, 0.087, 0.044) ( -0.047, 0.093, 0.047) ( 0.03, 0.05, 0.01) bond (-15.148, -5.941, -10.039) (-15.143, -5.937, -10.037) ( 0.03, 0.08, 0.02) angle ( -5.200, -8.059, 8.744) ( -5.198, -8.058, 8.745) ( 0.03, 0.02, 0.02) strbnd ( -1.543, -1.202, 1.549) ( -1.544, -1.203, 1.548) ( 0.04, 0.04, 0.03) torsion ( -0.831, 0.963, -3.227) ( -0.831, 0.963, -3.226) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 6.577, 4.313, -0.037) ( 6.577, 4.313, -0.037) ( 0.00, 0.00, 0.00) electro ( 16.093, 10.014, 3.054) ( 16.093, 10.014, 3.054) ( 0.00, 0.00, 0.00) 28 ( 0.001, 0.014, -0.042) ( 0.002, 0.015, -0.039) ( 0.00, 0.00, 0.01) bond ( 0.463, -1.202, 2.694) ( 0.464, -1.202, 2.697) ( 0.00, 0.05, 0.10) angle ( 0.035, -0.321, -0.149) ( 0.036, -0.320, -0.149) ( 0.00, 0.01, 0.00) strbnd ( -0.222, -0.567, -1.132) ( -0.222, -0.567, -1.132) ( 0.00, 0.00, 0.00) torsion ( 0.438, -1.586, -0.782) ( 0.438, -1.586, -0.782) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.714, 3.690, -0.674) ( -0.714, 3.690, -0.674) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 29 ( 0.008, 0.030, 0.008) ( 0.008, 0.032, 0.009) ( 0.00, 0.01, 0.00) bond ( -0.087, -1.217, -1.051) ( -0.087, -1.215, -1.050) ( 0.00, 0.16, 0.14) angle ( -0.252, 0.112, -0.110) ( -0.251, 0.113, -0.110) ( 0.02, 0.00, 0.00) strbnd ( 0.115, 0.045, 1.331) ( 0.115, 0.045, 1.331) ( 0.00, 0.00, 0.00) torsion ( -0.210, 0.236, -0.255) ( -0.210, 0.236, -0.255) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.441, 0.855, 0.093) ( 0.441, 0.855, 0.093) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( -0.057, 0.017, 0.002) ( -0.054, 0.018, 0.002) ( 0.02, 0.00, 0.00) bond ( -1.435, 0.851, -0.093) ( -1.433, 0.852, -0.093) ( 0.17, 0.08, 0.00) angle ( -0.122, -0.244, -0.343) ( -0.122, -0.243, -0.342) ( 0.00, 0.01, 0.02) strbnd ( 0.598, -0.582, 1.034) ( 0.598, -0.582, 1.034) ( 0.00, 0.00, 0.00) torsion ( -0.027, -0.078, -0.298) ( -0.027, -0.078, -0.297) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.930, 0.070, -0.299) ( 0.930, 0.070, -0.299) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 31 ( 0.005, -0.020, 0.028) ( 0.006, -0.019, 0.031) ( 0.00, 0.00, 0.01) bond ( 0.312, -0.902, 2.849) ( 0.312, -0.902, 2.852) ( 0.00, 0.03, 0.11) angle ( -0.502, 0.107, 0.089) ( -0.501, 0.107, 0.089) ( 0.03, 0.01, 0.00) strbnd ( -0.940, 0.677, -0.469) ( -0.940, 0.677, -0.469) ( 0.00, 0.00, 0.00) torsion ( -1.235, 1.160, 0.502) ( -1.235, 1.160, 0.502) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.370, -1.062, -2.942) ( 2.370, -1.062, -2.942) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 32 ( 0.003, -0.016, -0.010) ( 0.005, -0.014, -0.009) ( 0.00, 0.00, 0.00) bond ( -0.021, -0.018, 0.009) ( -0.019, -0.016, 0.009) ( 0.00, 0.00, 0.00) angle ( -0.160, 0.222, 0.062) ( -0.160, 0.222, 0.062) ( 0.00, 0.01, 0.00) strbnd ( -0.521, 0.030, -0.937) ( -0.521, 0.030, -0.938) ( 0.00, 0.00, 0.01) torsion ( 0.592, -0.069, 1.057) ( 0.592, -0.069, 1.057) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.902, 0.369, 0.423) ( 0.902, 0.369, 0.423) ( 0.00, 0.00, 0.00) electro ( -0.789, -0.550, -0.623) ( -0.789, -0.550, -0.623) ( 0.00, 0.00, 0.00) 33 ( -0.030, -0.053, 0.105) ( -0.019, -0.047, 0.022) ( 0.03, 0.03, 0.87) bond ( -1.616, -9.765, 0.189) ( -1.616, -9.756, 0.189) ( 0.01, 0.10, 0.00) angle ( 20.636, -3.367, 2.623) ( 20.637, -3.367, 2.623) ( 0.00, 0.00, 0.00) strbnd ( 0.680, 2.049, 0.006) ( 0.680, 2.049, 0.006) ( 0.00, 0.00, 0.00) torsion ( -0.339, 0.113, 2.931) ( -0.339, 0.113, 2.931) ( 0.00, 0.00, 0.00) oop ( -0.045, 0.015, 0.377) ( -0.035, 0.012, 0.294) ( 0.04, 0.00, 3.13) vdw ( -3.314, -1.163, -1.055) ( -3.314, -1.163, -1.055) ( 0.00, 0.00, 0.00) electro (-16.031, 12.066, -4.968) (-16.031, 12.066, -4.968) ( 0.00, 0.00, 0.00) 34 ( 0.021, 0.161, 0.031) ( 0.031, 0.164, -0.005) ( 0.02, 0.05, 0.11) bond ( -3.927, 2.786, -0.594) ( -3.921, 2.789, -0.594) ( 0.15, 0.13, 0.00) angle ( 16.132, -2.853, 2.371) ( 16.132, -2.852, 2.372) ( 0.00, 0.05, 0.01) strbnd ( -0.845, 3.072, -0.258) ( -0.845, 3.072, -0.258) ( 0.00, 0.01, 0.00) torsion ( 0.144, -0.049, -1.174) ( 0.144, -0.049, -1.173) ( 0.00, 0.00, 0.02) oop ( -0.036, 0.013, 0.294) ( -0.031, 0.011, 0.258) ( 0.02, 0.00, 1.06) vdw (-11.558, -6.965, 1.339) (-11.558, -6.965, 1.339) ( 0.00, 0.00, 0.00) electro ( 0.110, 4.158, -1.948) ( 0.110, 4.158, -1.948) ( 0.00, 0.00, 0.00) 35 ( -0.101, -0.084, -0.013) ( -0.097, -0.081, -0.013) ( 0.04, 0.02, 0.00) bond ( 0.234, 0.187, 0.015) ( 0.238, 0.189, 0.015) ( 0.08, 0.04, 0.00) angle ( -9.135, 11.640, -1.684) ( -9.135, 11.640, -1.684) ( 0.00, 0.00, 0.00) strbnd ( -1.252, -0.773, -0.092) ( -1.252, -0.773, -0.092) ( 0.00, 0.00, 0.00) torsion ( 0.050, -0.027, -0.452) ( 0.050, -0.027, -0.452) ( 0.00, 0.00, 0.01) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.204, 0.155, -0.034) ( -0.204, 0.155, -0.034) ( 0.00, 0.00, 0.00) electro ( 10.207, -11.265, 2.235) ( 10.207, -11.265, 2.235) ( 0.00, 0.00, 0.00) 36 ( 0.023, -0.029, -0.012) ( 0.030, -0.025, -0.007) ( 0.01, 0.01, 0.01) bond ( 1.340, -4.011, -2.272) ( 1.346, -4.008, -2.268) ( 0.45, 0.07, 0.18) angle ( -1.289, 0.664, 1.982) ( -1.288, 0.666, 1.984) ( 0.08, 0.10, 0.10) strbnd ( 0.232, -0.792, 0.487) ( 0.231, -0.793, 0.486) ( 0.02, 0.03, 0.03) torsion ( -1.155, 0.195, -0.282) ( -1.155, 0.195, -0.282) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.717, 5.471, 0.093) ( 0.717, 5.471, 0.093) ( 0.00, 0.00, 0.00) electro ( 0.179, -1.556, -0.020) ( 0.179, -1.556, -0.020) ( 0.00, 0.00, 0.00) 37 ( 0.029, 0.043, -0.047) ( 0.034, 0.047, -0.041) ( 0.01, 0.02, 0.03) bond ( 1.435, -3.700, -1.718) ( 1.438, -3.696, -1.713) ( 0.27, 0.10, 0.31) angle ( 0.328, 0.545, 0.556) ( 0.329, 0.546, 0.558) ( 0.03, 0.08, 0.12) strbnd ( -0.069, -0.300, 0.440) ( -0.069, -0.301, 0.439) ( 0.00, 0.01, 0.04) torsion ( 0.956, 0.601, 0.479) ( 0.956, 0.601, 0.479) ( 0.01, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.832, 4.136, 0.355) ( -2.832, 4.136, 0.355) ( 0.00, 0.00, 0.00) electro ( 0.210, -1.238, -0.159) ( 0.210, -1.238, -0.159) ( 0.00, 0.00, 0.00) 38 ( -0.013, 0.017, -0.005) ( -0.012, 0.019, -0.003) ( 0.00, 0.00, 0.00) bond ( 0.435, -0.767, 0.899) ( 0.435, -0.766, 0.901) ( 0.02, 0.11, 0.17) angle ( 0.496, 0.229, -0.045) ( 0.496, 0.229, -0.045) ( 0.03, 0.00, 0.00) strbnd ( -0.157, 0.213, -0.446) ( -0.157, 0.213, -0.446) ( 0.00, 0.00, 0.00) torsion ( 0.563, -0.012, -0.282) ( 0.563, -0.012, -0.283) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.724, 0.200, 0.015) ( -0.724, 0.200, 0.015) ( 0.00, 0.00, 0.00) electro ( -0.625, 0.154, -0.145) ( -0.625, 0.154, -0.145) ( 0.00, 0.00, 0.00) 39 ( -0.005, -0.008, 0.012) ( -0.003, -0.007, 0.014) ( 0.00, 0.00, 0.00) bond ( 0.863, 0.325, -0.866) ( 0.864, 0.325, -0.865) ( 0.15, 0.01, 0.15) angle ( 0.432, -1.789, -0.241) ( 0.433, -1.789, -0.241) ( 0.01, 0.02, 0.01) strbnd ( -0.148, -0.179, 0.111) ( -0.148, -0.179, 0.111) ( 0.00, 0.00, 0.00) torsion ( 0.500, -0.248, 0.406) ( 0.500, -0.248, 0.406) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.310, 2.013, 0.436) ( -1.310, 2.013, 0.436) ( 0.00, 0.00, 0.00) electro ( -0.342, -0.130, 0.167) ( -0.342, -0.130, 0.167) ( 0.00, 0.00, 0.00) 40 ( -0.029, -0.039, 0.034) ( -0.028, -0.036, 0.035) ( 0.00, 0.01, 0.00) bond ( -0.592, -0.813, 0.455) ( -0.591, -0.811, 0.456) ( 0.06, 0.16, 0.03) angle ( -0.349, 0.064, -0.339) ( -0.348, 0.064, -0.339) ( 0.01, 0.00, 0.02) strbnd ( 0.254, 0.177, -0.194) ( 0.254, 0.177, -0.194) ( 0.00, 0.00, 0.00) torsion ( -0.231, -0.135, -0.540) ( -0.231, -0.135, -0.540) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.504, 0.376, 0.413) ( 0.504, 0.376, 0.413) ( 0.00, 0.00, 0.00) electro ( 0.385, 0.292, 0.238) ( 0.385, 0.292, 0.238) ( 0.00, 0.00, 0.00) 41 ( 0.005, -0.012, 0.021) ( 0.005, -0.011, 0.024) ( 0.00, 0.00, 0.01) bond ( -0.265, 0.213, -1.387) ( -0.265, 0.213, -1.384) ( 0.00, 0.00, 0.25) angle ( -0.002, -0.794, -0.122) ( -0.001, -0.793, -0.122) ( 0.00, 0.04, 0.00) strbnd ( 0.104, -0.149, 0.254) ( 0.104, -0.149, 0.254) ( 0.00, 0.00, 0.00) torsion ( -0.534, -0.473, 0.029) ( -0.534, -0.473, 0.029) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.465, 1.537, 0.914) ( 0.465, 1.537, 0.914) ( 0.00, 0.00, 0.00) electro ( 0.237, -0.346, 0.332) ( 0.237, -0.346, 0.332) ( 0.00, 0.00, 0.00) 42 ( 0.013, 0.008, -0.041) ( 0.014, 0.009, -0.038) ( 0.00, 0.00, 0.01) bond ( -1.424, -0.121, 4.422) ( -1.424, -0.120, 4.425) ( 0.03, 0.00, 0.07) angle ( 0.750, -1.072, 0.212) ( 0.750, -1.071, 0.212) ( 0.02, 0.08, 0.00) strbnd ( 0.500, -0.190, -1.471) ( 0.500, -0.190, -1.471) ( 0.00, 0.00, 0.00) torsion ( -0.246, 0.662, -0.061) ( -0.246, 0.662, -0.061) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.074, 0.895, -1.822) ( -0.074, 0.895, -1.822) ( 0.00, 0.00, 0.00) electro ( 0.507, -0.167, -1.321) ( 0.507, -0.167, -1.321) ( 0.00, 0.00, 0.00) ok 24 # gradients ok 25 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 0.094, -0.054, 0.252) ( 0.101, -0.049, 0.257) ( 0.07, 0.03, 0.12) bond ( 0.405, 3.441, 0.242) ( 0.412, 3.445, 0.242) ( 0.28, 0.13, 0.00) angle ( -0.409, 0.650, -0.195) ( -0.408, 0.652, -0.195) ( 0.06, 0.11, 0.00) strbnd ( -0.322, -4.041, -0.254) ( -0.322, -4.042, -0.254) ( 0.01, 0.03, 0.00) torsion ( -0.032, -0.018, 0.320) ( -0.032, -0.018, 0.321) ( 0.00, 0.00, 0.03) oop ( 0.002, 0.001, -0.014) ( 0.001, 0.001, -0.011) ( 0.00, 0.00, 0.01) vdw ( -0.047, -0.020, -0.019) ( -0.047, -0.020, -0.019) ( 0.00, 0.00, 0.00) electro ( 0.497, -0.068, 0.172) ( 0.497, -0.068, 0.172) ( 0.00, 0.00, 0.00) 2 ( -0.202, -0.384, 0.053) ( -0.198, -0.377, 0.070) ( 0.09, 0.28, 0.09) bond ( 3.541, -2.137, 0.264) ( 3.546, -2.131, 0.265) ( 0.15, 0.30, 0.00) angle ( 1.746, 1.275, 0.298) ( 1.748, 1.277, 0.298) ( 0.10, 0.14, 0.00) strbnd ( -2.090, 1.285, -0.146) ( -2.091, 1.285, -0.146) ( 0.05, 0.01, 0.00) torsion ( 0.033, 0.016, -0.297) ( 0.034, 0.016, -0.296) ( 0.00, 0.00, 0.04) oop ( 0.010, 0.005, -0.088) ( 0.009, 0.004, -0.072) ( 0.00, 0.00, 0.14) vdw ( -3.041, -0.539, -0.132) ( -3.041, -0.539, -0.132) ( 0.00, 0.00, 0.00) electro ( -0.403, -0.288, 0.154) ( -0.403, -0.288, 0.154) ( 0.00, 0.00, 0.00) 3 ( -0.110, 0.062, 0.058) ( -0.093, 0.078, -0.064) ( 0.18, 0.10, 0.70) bond ( 10.808, 8.532, 1.851) ( 10.812, 8.538, 1.851) ( 0.04, 0.07, 0.01) angle ( -1.280, -12.576, -1.628) ( -1.278, -12.574, -1.628) ( 0.16, 0.02, 0.03) strbnd ( -2.662, -2.231, -0.989) ( -2.662, -2.232, -0.989) ( 0.02, 0.03, 0.01) torsion ( -0.153, 0.061, 1.120) ( -0.153, 0.061, 1.121) ( 0.00, 0.00, 0.09) oop ( -0.073, -0.051, 0.782) ( -0.062, -0.043, 0.659) ( 0.08, 0.04, 9.60) vdw ( -8.513, 7.070, -1.049) ( -8.513, 7.070, -1.049) ( 0.00, 0.00, 0.00) electro ( 1.764, -0.743, -0.030) ( 1.764, -0.743, -0.030) ( 0.00, 0.00, 0.00) 4 ( -0.088, -0.102, -0.382) ( -0.110, -0.122, -0.055) ( 0.20, 0.20, 12.48) bond ( 20.270, -4.350, 1.475) ( 20.275, -4.343, 1.476) ( 0.02, 0.15, 0.01) angle ( 12.458, 12.739, 3.115) ( 12.460, 12.741, 3.115) ( 0.02, 0.01, 0.01) strbnd (-17.883, -3.513, -1.809) (-17.884, -3.514, -1.809) ( 0.01, 0.03, 0.00) torsion ( 0.036, 0.065, -1.684) ( 0.036, 0.065, -1.683) ( 0.00, 0.00, 0.04) oop ( 0.171, 0.149, -1.871) ( 0.143, 0.122, -1.545) ( 0.48, 0.40, 17.39) vdw (-12.241, -4.949, 0.142) (-12.241, -4.949, 0.142) ( 0.00, 0.00, 0.00) electro ( -2.899, -0.244, 0.249) ( -2.899, -0.244, 0.249) ( 0.00, 0.00, 0.00) 5 ( -0.068, -0.017, -0.125) ( -0.065, -0.011, -0.110) ( 0.02, 0.01, 0.19) bond ( 1.518, -21.327, -9.249) ( 1.522, -21.323, -9.244) ( 0.25, 0.02, 0.05) angle ( -8.489, 14.472, 7.087) ( -8.487, 14.475, 7.088) ( 0.02, 0.02, 0.02) strbnd ( 11.557, 1.653, 2.302) ( 11.556, 1.652, 2.302) ( 0.01, 0.05, 0.02) torsion ( -0.182, 0.061, -1.411) ( -0.182, 0.061, -1.410) ( 0.00, 0.00, 0.02) oop ( 0.005, 0.003, -0.040) ( 0.004, 0.002, -0.031) ( 0.00, 0.00, 0.04) vdw ( -7.969, 3.574, 1.404) ( -7.968, 3.574, 1.404) ( 0.00, 0.00, 0.00) electro ( 3.491, 1.548, -0.219) ( 3.491, 1.548, -0.219) ( 0.00, 0.00, 0.00) 6 ( 0.024, -0.167, 0.098) ( 0.036, -0.156, 0.018) ( 0.03, 0.18, 0.79) bond ( -9.999, -4.566, -1.383) ( -9.996, -4.563, -1.383) ( 0.03, 0.06, 0.00) angle ( 0.723, -4.226, -0.076) ( 0.723, -4.225, -0.077) ( 0.04, 0.03, 0.00) strbnd ( 12.551, 6.889, 1.807) ( 12.551, 6.889, 1.807) ( 0.00, 0.01, 0.00) torsion ( 0.080, 0.020, -0.668) ( 0.080, 0.020, -0.667) ( 0.00, 0.00, 0.01) oop ( -0.057, -0.045, 0.532) ( -0.048, -0.038, 0.452) ( 0.05, 0.03, 4.28) vdw ( -3.283, 1.455, -0.244) ( -3.283, 1.455, -0.244) ( 0.00, 0.00, 0.00) electro ( 0.009, 0.307, 0.130) ( 0.009, 0.307, 0.130) ( 0.00, 0.00, 0.00) 7 ( -0.002, 0.041, -0.083) ( 0.003, 0.047, -0.081) ( 0.00, 0.02, 0.02) bond ( 10.203, 5.616, 25.277) ( 10.207, 5.620, 25.278) ( 0.04, 0.07, 0.00) angle (-14.427, 4.571, -29.699) (-14.425, 4.572, -29.697) ( 0.01, 0.03, 0.01) strbnd ( 1.147, -1.228, -0.703) ( 1.146, -1.229, -0.703) ( 0.05, 0.04, 0.03) torsion ( 1.193, -0.605, -0.282) ( 1.193, -0.605, -0.282) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 5.912, 0.367, 4.636) ( 5.912, 0.367, 4.636) ( 0.00, 0.00, 0.00) electro ( -4.030, -8.679, 0.687) ( -4.030, -8.679, 0.687) ( 0.00, 0.00, 0.00) 8 ( -0.124, -0.019, -0.296) ( -0.123, -0.017, -0.295) ( 0.01, 0.01, 0.03) bond ( -0.019, -0.836, 0.410) ( -0.019, -0.833, 0.411) ( 0.00, 0.23, 0.03) angle ( 4.770, -0.609, -1.012) ( 4.771, -0.609, -1.012) ( 0.01, 0.01, 0.04) strbnd ( 0.249, 0.128, -1.740) ( 0.249, 0.128, -1.740) ( 0.00, 0.00, 0.00) torsion ( -0.173, -0.083, -0.176) ( -0.173, -0.083, -0.176) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.951, 1.380, 2.222) ( -4.951, 1.380, 2.222) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 9 ( -0.069, 0.131, -0.224) ( -0.068, 0.132, -0.221) ( 0.01, 0.01, 0.07) bond ( -0.548, -0.489, -3.470) ( -0.548, -0.489, -3.467) ( 0.01, 0.00, 0.09) angle ( 2.634, -1.083, -0.264) ( 2.635, -1.082, -0.264) ( 0.02, 0.05, 0.00) strbnd ( 0.419, -1.396, 0.765) ( 0.419, -1.396, 0.765) ( 0.00, 0.00, 0.00) torsion ( -0.167, -0.223, 0.058) ( -0.167, -0.223, 0.058) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.406, 3.323, 2.687) ( -2.406, 3.323, 2.687) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 10 ( -0.074, -0.055, -0.182) ( -0.069, -0.050, -0.177) ( 0.04, 0.03, 0.10) bond (-15.381, 12.089, -12.058) (-15.377, 12.093, -12.053) ( 0.02, 0.04, 0.04) angle ( 8.484, -11.406, 11.903) ( 8.487, -11.404, 11.904) ( 0.03, 0.02, 0.01) strbnd ( 4.060, 9.673, 0.443) ( 4.059, 9.672, 0.443) ( 0.02, 0.01, 0.02) torsion ( 1.330, -0.770, -1.490) ( 1.330, -0.769, -1.490) ( 0.01, 0.00, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.699, -11.336, 1.328) ( 1.699, -11.336, 1.328) ( 0.01, 0.00, 0.00) electro ( -0.266, 1.694, -0.308) ( -0.266, 1.694, -0.308) ( 0.00, 0.00, 0.00) 11 ( 0.037, -0.007, -0.105) ( 0.053, 0.011, -0.240) ( 0.06, 0.01, 1.41) bond ( 9.639, 15.878, 4.037) ( 9.642, 15.883, 4.041) ( 0.04, 0.03, 0.11) angle ( -9.172, -2.161, -6.458) ( -9.170, -2.158, -6.456) ( 0.02, 0.11, 0.02) strbnd ( 1.149, -6.264, -0.982) ( 1.147, -6.265, -0.982) ( 0.10, 0.02, 0.04) torsion ( -0.350, -0.442, 3.225) ( -0.350, -0.442, 3.225) ( 0.00, 0.00, 0.00) oop ( -0.054, -0.059, 0.659) ( -0.042, -0.046, 0.518) ( 0.06, 0.07, 9.28) vdw ( -0.242, -4.058, -0.450) ( -0.242, -4.058, -0.450) ( 0.00, 0.00, 0.00) electro ( -0.932, -2.902, -0.135) ( -0.932, -2.902, -0.135) ( 0.00, 0.00, 0.00) 12 ( 0.007, 0.058, -0.013) ( 0.009, 0.059, -0.013) ( 0.00, 0.01, 0.00) bond ( -1.070, 0.929, 0.454) ( -1.069, 0.931, 0.454) ( 0.16, 0.12, 0.01) angle ( 4.468, 5.608, -0.977) ( 4.468, 5.608, -0.977) ( 0.01, 0.01, 0.05) strbnd ( 0.788, -0.295, -1.704) ( 0.788, -0.295, -1.704) ( 0.00, 0.00, 0.00) torsion ( -0.551, -1.028, 0.811) ( -0.551, -1.028, 0.811) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.628, -5.157, 1.404) ( -3.628, -5.157, 1.404) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 ( -0.120, 0.039, -0.037) ( -0.119, 0.040, -0.033) ( 0.01, 0.00, 0.01) bond ( -0.328, -0.292, -3.901) ( -0.328, -0.292, -3.897) ( 0.00, 0.00, 0.08) angle ( -0.446, 1.585, -0.081) ( -0.446, 1.585, -0.081) ( 0.02, 0.04, 0.00) strbnd ( -0.722, 1.212, 0.784) ( -0.722, 1.212, 0.784) ( 0.00, 0.00, 0.00) torsion ( -0.435, 1.492, -0.075) ( -0.435, 1.492, -0.075) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.812, -3.957, 3.236) ( 1.812, -3.957, 3.236) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 14 ( 0.067, 0.147, -0.288) ( 0.068, 0.148, -0.285) ( 0.00, 0.01, 0.08) bond ( -0.175, 1.062, 2.357) ( -0.175, 1.063, 2.360) ( 0.00, 0.05, 0.12) angle ( -0.080, -0.961, 0.427) ( -0.080, -0.961, 0.427) ( 0.00, 0.04, 0.00) strbnd ( 0.554, 0.475, -1.094) ( 0.554, 0.475, -1.094) ( 0.00, 0.00, 0.00) torsion ( -0.550, 1.444, -0.691) ( -0.550, 1.444, -0.691) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.318, -1.873, -1.287) ( 0.318, -1.873, -1.287) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 15 ( 0.046, -0.135, -0.333) ( 0.047, -0.133, -0.331) ( 0.00, 0.03, 0.06) bond ( 0.373, 1.480, -1.330) ( 0.373, 1.482, -1.328) ( 0.00, 0.12, 0.11) angle ( -2.004, 0.579, 0.084) ( -2.004, 0.580, 0.085) ( 0.03, 0.01, 0.00) strbnd ( 0.258, 0.339, 0.948) ( 0.258, 0.339, 0.948) ( 0.00, 0.00, 0.00) torsion ( 0.462, -0.620, -0.562) ( 0.462, -0.620, -0.562) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.958, -1.914, 0.528) ( 0.958, -1.914, 0.528) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 16 ( -0.222, -0.176, 0.346) ( -0.217, -0.175, 0.343) ( 0.09, 0.02, 0.10) bond ( 0.758, -0.200, 0.086) ( 0.762, -0.200, 0.086) ( 0.28, 0.01, 0.00) angle ( 0.078, 0.315, 0.044) ( 0.078, 0.315, 0.044) ( 0.00, 0.02, 0.00) strbnd ( -0.224, 0.410, -0.006) ( -0.224, 0.410, -0.006) ( 0.00, 0.00, 0.00) torsion ( -0.053, -0.023, 0.416) ( -0.053, -0.023, 0.416) ( 0.00, 0.00, 0.01) oop ( -0.002, -0.001, 0.014) ( -0.001, -0.001, 0.011) ( 0.00, 0.00, 0.00) vdw ( -0.370, -0.087, -0.051) ( -0.370, -0.087, -0.051) ( 0.00, 0.00, 0.00) electro ( -0.409, -0.590, -0.156) ( -0.409, -0.590, -0.156) ( 0.00, 0.00, 0.00) 17 ( -0.172, -0.001, 0.210) ( -0.170, 0.003, 0.205) ( 0.02, 0.00, 0.11) bond ( 0.202, -2.402, -0.106) ( 0.202, -2.398, -0.106) ( 0.00, 0.16, 0.00) angle ( 0.155, 0.010, 0.062) ( 0.156, 0.010, 0.062) ( 0.01, 0.00, 0.00) strbnd ( 0.312, 1.242, 0.101) ( 0.312, 1.242, 0.101) ( 0.00, 0.00, 0.00) torsion ( -0.037, -0.018, 0.329) ( -0.037, -0.018, 0.329) ( 0.00, 0.00, 0.01) oop ( -0.003, -0.001, 0.025) ( -0.002, -0.001, 0.019) ( 0.00, 0.00, 0.01) vdw ( -0.532, 0.720, -0.009) ( -0.532, 0.720, -0.009) ( 0.00, 0.00, 0.00) electro ( -0.269, 0.447, -0.192) ( -0.269, 0.447, -0.192) ( 0.00, 0.00, 0.00) 18 ( -0.081, -0.033, -0.057) ( -0.060, -0.053, -0.067) ( 0.17, 0.07, 0.06) bond ( -6.379, 0.928, -24.889) ( -6.375, 0.931, -24.885) ( 0.06, 0.30, 0.02) angle ( 9.056, 0.616, 23.534) ( 9.058, 0.619, 23.536) ( 0.02, 0.14, 0.01) strbnd ( -5.196, -2.586, -0.461) ( -5.197, -2.587, -0.462) ( 0.03, 0.04, 0.02) torsion ( 1.569, -1.208, 0.648) ( 1.569, -1.208, 0.648) ( 0.00, 0.01, 0.00) oop ( -0.120, 0.144, 0.106) ( -0.104, 0.120, 0.090) ( 0.19, 0.35, 0.17) vdw ( 1.409, 4.724, -3.655) ( 1.409, 4.724, -3.655) ( 0.01, 0.00, 0.00) electro ( -0.420, -2.651, 4.661) ( -0.420, -2.651, 4.661) ( 0.00, 0.00, 0.00) 19 ( -0.058, 0.004, 0.349) ( -0.047, 0.015, 0.354) ( 0.06, 0.00, 0.19) bond ( -2.284, 1.490, -1.564) ( -2.281, 1.492, -1.560) ( 0.13, 0.13, 0.31) angle ( -1.097, -5.742, -2.880) ( -1.096, -5.741, -2.878) ( 0.12, 0.02, 0.06) strbnd ( 3.814, -3.033, 2.137) ( 3.814, -3.033, 2.137) ( 0.01, 0.00, 0.01) torsion ( 0.420, 0.671, -0.162) ( 0.420, 0.672, -0.162) ( 0.02, 0.04, 0.00) oop ( -0.056, -0.065, 0.006) ( -0.050, -0.058, 0.005) ( 0.04, 0.05, 0.00) vdw ( -0.306, 9.504, 2.421) ( -0.306, 9.504, 2.421) ( 0.01, 0.00, 0.00) electro ( -0.549, -2.822, 0.391) ( -0.549, -2.822, 0.391) ( 0.00, 0.00, 0.00) 20 ( 0.614, 0.560, 0.386) ( 0.502, 0.609, 0.460) ( 6.89, 2.73, 2.86) bond ( -2.231, -20.883, 8.347) ( -2.227, -20.877, 8.352) ( 0.15, 0.03, 0.06) angle ( -4.426, 15.205, -3.475) ( -4.426, 15.207, -3.473) ( 0.02, 0.01, 0.05) strbnd ( -4.771, -2.312, -7.995) ( -4.772, -2.313, -7.996) ( 0.01, 0.04, 0.02) torsion ( -2.925, 0.824, 1.217) ( -2.924, 0.824, 1.217) ( 0.01, 0.00, 0.00) oop ( 0.652, -0.226, -0.380) ( 0.536, -0.185, -0.311) ( 7.57, 0.92, 2.60) vdw ( 7.151, 3.310, 3.612) ( 7.151, 3.310, 3.612) ( 0.00, 0.00, 0.00) electro ( 7.163, 4.641, -0.940) ( 7.163, 4.641, -0.940) ( 0.00, 0.00, 0.00) 21 ( -0.124, -0.034, 0.051) ( -0.123, -0.033, 0.055) ( 0.01, 0.00, 0.02) bond ( -0.235, -0.308, -2.219) ( -0.235, -0.308, -2.216) ( 0.00, 0.00, 0.15) angle ( 4.698, -5.851, 0.315) ( 4.699, -5.850, 0.315) ( 0.01, 0.01, 0.00) strbnd ( -0.581, -0.336, 1.443) ( -0.581, -0.336, 1.443) ( 0.00, 0.00, 0.00) torsion ( -1.301, 0.144, 0.118) ( -1.301, 0.144, 0.118) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.704, 6.318, 0.395) ( -2.704, 6.318, 0.395) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 ( -0.190, -0.210, -0.397) ( -0.195, -0.220, -0.390) ( 0.10, 0.21, 0.27) bond ( 7.110, -5.000, 16.974) ( 7.113, -4.998, 16.979) ( 0.05, 0.04, 0.03) angle ( -2.542, 1.862, -6.168) ( -2.541, 1.862, -6.166) ( 0.04, 0.04, 0.03) strbnd ( -2.998, 2.586, 2.923) ( -2.998, 2.586, 2.923) ( 0.00, 0.00, 0.01) torsion ( 0.187, 0.206, 0.004) ( 0.187, 0.207, 0.004) ( 0.01, 0.02, 0.00) oop ( 0.071, 0.090, -0.001) ( 0.060, 0.076, -0.000) ( 0.07, 0.12, 0.00) vdw ( -3.409, 1.113, -13.213) ( -3.409, 1.113, -13.213) ( 0.00, 0.01, 0.00) electro ( 1.392, -1.067, -0.917) ( 1.392, -1.067, -0.917) ( 0.00, 0.00, 0.00) 23 ( -0.334, -0.228, 0.485) ( -0.328, -0.223, 0.493) ( 0.22, 0.13, 0.36) bond ( -4.764, 3.427, 11.494) ( -4.760, 3.429, 11.499) ( 0.07, 0.06, 0.05) angle ( 1.122, -0.757, 2.811) ( 1.123, -0.756, 2.813) ( 0.09, 0.04, 0.06) strbnd ( 2.035, -1.610, -1.356) ( 2.035, -1.610, -1.356) ( 0.01, 0.01, 0.01) torsion ( -0.226, -0.307, 0.011) ( -0.225, -0.307, 0.011) ( 0.01, 0.03, 0.00) oop ( -0.009, -0.013, -0.000) ( -0.008, -0.010, -0.000) ( 0.00, 0.00, 0.00) vdw ( 1.387, -0.990, -13.718) ( 1.387, -0.990, -13.718) ( 0.00, 0.00, 0.00) electro ( 0.120, 0.021, 1.244) ( 0.120, 0.021, 1.244) ( 0.00, 0.00, 0.00) 24 ( 0.020, -0.128, -0.527) ( 0.034, -0.112, -0.520) ( 0.03, 0.20, 0.37) bond ( -7.605, 5.610, 5.554) ( -7.601, 5.612, 5.560) ( 0.05, 0.04, 0.10) angle ( -1.737, 1.343, 0.082) ( -1.736, 1.343, 0.083) ( 0.06, 0.05, 0.01) strbnd ( 0.340, -0.282, -1.073) ( 0.340, -0.282, -1.073) ( 0.00, 0.00, 0.02) torsion ( 0.141, 0.176, 0.004) ( 0.142, 0.177, 0.004) ( 0.01, 0.01, 0.00) oop ( -0.055, -0.073, -0.001) ( -0.046, -0.061, -0.001) ( 0.05, 0.09, 0.00) vdw ( 9.119, -7.021, -4.701) ( 9.119, -7.021, -4.701) ( 0.00, 0.00, 0.00) electro ( -0.183, 0.118, -0.392) ( -0.183, 0.118, -0.392) ( 0.00, 0.00, 0.00) 25 ( 0.159, 0.213, 0.583) ( 0.143, 0.190, 0.589) ( 0.26, 0.50, 0.38) bond (-11.078, 8.736, -4.694) (-11.074, 8.738, -4.688) ( 0.03, 0.02, 0.12) angle ( 1.300, -0.887, -3.803) ( 1.301, -0.886, -3.801) ( 0.08, 0.06, 0.05) strbnd ( 1.316, -0.991, 0.244) ( 1.316, -0.991, 0.244) ( 0.01, 0.01, 0.00) torsion ( -0.076, -0.091, 0.002) ( -0.076, -0.090, 0.002) ( 0.00, 0.01, 0.00) oop ( 0.140, 0.179, 0.005) ( 0.119, 0.152, 0.004) ( 0.30, 0.49, 0.00) vdw ( 8.950, -6.944, 9.005) ( 8.950, -6.943, 9.005) ( 0.00, 0.00, 0.00) electro ( -0.393, 0.211, -0.176) ( -0.393, 0.211, -0.176) ( 0.00, 0.00, 0.00) 26 ( 0.084, 0.183, -0.225) ( 0.142, 0.255, -0.217) ( 0.48, 1.32, 0.18) bond ( -0.944, 0.846, -18.247) ( -0.940, 0.848, -18.243) ( 0.30, 0.17, 0.02) angle ( 7.126, -5.296, 3.718) ( 7.127, -5.296, 3.720) ( 0.01, 0.01, 0.05) strbnd ( -7.430, 5.904, 0.945) ( -7.430, 5.904, 0.944) ( 0.00, 0.00, 0.05) torsion ( -0.866, -1.152, -0.063) ( -0.866, -1.152, -0.063) ( 0.03, 0.06, 0.00) oop ( -0.313, -0.407, -0.015) ( -0.261, -0.338, -0.012) ( 1.66, 2.81, 0.00) vdw ( 3.069, -0.873, 13.253) ( 3.069, -0.873, 13.253) ( 0.00, 0.00, 0.00) electro ( -0.557, 1.161, 0.184) ( -0.557, 1.161, 0.184) ( 0.00, 0.00, 0.00) 27 ( -0.315, -0.428, 0.139) ( -0.314, -0.427, 0.141) ( 0.05, 0.03, 0.03) bond ( 2.446, -1.770, 2.501) ( 2.447, -1.769, 2.503) ( 0.06, 0.04, 0.06) angle ( -1.543, 1.181, 2.343) ( -1.543, 1.181, 2.344) ( 0.01, 0.01, 0.02) strbnd ( -1.339, 0.977, -0.789) ( -1.339, 0.977, -0.789) ( 0.00, 0.00, 0.00) torsion ( 0.988, 1.336, -0.022) ( 0.988, 1.336, -0.022) ( 0.01, 0.02, 0.00) oop ( 0.002, 0.003, -0.000) ( 0.002, 0.002, -0.000) ( 0.00, 0.00, 0.00) vdw ( 1.259, -2.708, -3.410) ( 1.260, -2.708, -3.410) ( 0.00, 0.00, 0.00) electro ( -2.129, 0.554, -0.484) ( -2.129, 0.554, -0.484) ( 0.00, 0.00, 0.00) 28 ( 0.161, 0.473, -0.074) ( 0.162, 0.473, -0.072) ( 0.01, 0.00, 0.01) bond ( -1.791, 1.438, -1.751) ( -1.790, 1.439, -1.750) ( 0.08, 0.07, 0.08) angle ( -0.694, 0.523, 1.139) ( -0.694, 0.523, 1.139) ( 0.01, 0.00, 0.04) strbnd ( 0.572, -0.470, 0.906) ( 0.572, -0.470, 0.906) ( 0.00, 0.00, 0.00) torsion ( 0.222, 0.282, 0.005) ( 0.222, 0.283, 0.005) ( 0.00, 0.01, 0.00) oop ( 0.006, 0.008, 0.000) ( 0.005, 0.007, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.510, -1.901, -1.427) ( 2.510, -1.901, -1.427) ( 0.00, 0.00, 0.00) electro ( -0.665, 0.593, 1.054) ( -0.665, 0.593, 1.054) ( 0.00, 0.00, 0.00) 29 ( 0.385, 0.558, 0.067) ( 0.367, 0.535, 0.068) ( 0.68, 1.30, 0.01) bond ( 0.302, -0.086, -3.852) ( 0.302, -0.086, -3.850) ( 0.00, 0.00, 0.06) angle ( -6.191, 4.765, -0.593) ( -6.191, 4.765, -0.593) ( 0.00, 0.00, 0.00) strbnd ( 0.076, 0.015, -2.804) ( 0.076, 0.015, -2.804) ( 0.00, 0.00, 0.00) torsion ( 0.648, 0.848, 0.032) ( 0.648, 0.848, 0.032) ( 0.00, 0.01, 0.00) oop ( 0.111, 0.143, 0.005) ( 0.093, 0.120, 0.005) ( 0.20, 0.34, 0.00) vdw ( 5.741, -5.031, 8.170) ( 5.741, -5.031, 8.171) ( 0.00, 0.00, 0.00) electro ( -0.302, -0.096, -0.891) ( -0.302, -0.096, -0.891) ( 0.00, 0.00, 0.00) 30 ( -0.388, -0.464, -0.137) ( -0.390, -0.467, -0.134) ( 0.06, 0.11, 0.05) bond ( -0.285, 0.192, 2.526) ( -0.284, 0.192, 2.529) ( 0.00, 0.00, 0.15) angle ( 0.191, -0.141, 0.032) ( 0.191, -0.141, 0.032) ( 0.01, 0.00, 0.00) strbnd ( -0.092, 0.073, -0.831) ( -0.092, 0.073, -0.831) ( 0.00, 0.00, 0.00) torsion ( -0.351, -0.466, -0.004) ( -0.351, -0.466, -0.004) ( 0.00, 0.01, 0.00) oop ( 0.013, 0.017, 0.000) ( 0.011, 0.014, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.124, -0.078, -0.755) ( 0.124, -0.078, -0.755) ( 0.00, 0.00, 0.00) electro ( 0.011, -0.061, -1.105) ( 0.011, -0.061, -1.105) ( 0.00, 0.00, 0.00) 31 ( -0.193, 0.021, 0.101) ( -0.196, 0.016, 0.102) ( 0.05, 0.01, 0.01) bond ( -1.807, 1.366, 0.917) ( -1.805, 1.368, 0.917) ( 0.11, 0.09, 0.05) angle ( 0.005, 0.002, 0.007) ( 0.005, 0.002, 0.008) ( 0.00, 0.00, 0.00) strbnd ( 0.452, -0.351, -0.140) ( 0.452, -0.351, -0.140) ( 0.00, 0.00, 0.00) torsion ( -0.111, -0.144, -0.004) ( -0.110, -0.143, -0.004) ( 0.00, 0.00, 0.00) oop ( 0.028, 0.036, 0.000) ( 0.023, 0.030, 0.000) ( 0.01, 0.02, 0.00) vdw ( 0.558, -0.417, -0.304) ( 0.558, -0.417, -0.304) ( 0.00, 0.00, 0.00) electro ( 0.682, -0.472, -0.376) ( 0.682, -0.472, -0.376) ( 0.00, 0.00, 0.00) 32 ( -0.425, -0.505, -0.048) ( -0.365, -0.520, -0.079) ( 2.55, 0.73, 0.15) bond ( -5.280, -7.572, -4.556) ( -5.277, -7.567, -4.554) ( 0.05, 0.06, 0.04) angle ( -0.110, 0.279, -0.337) ( -0.110, 0.279, -0.337) ( 0.00, 0.01, 0.02) strbnd ( 1.293, 1.229, 1.466) ( 1.293, 1.229, 1.466) ( 0.00, 0.01, 0.01) torsion ( 1.739, -0.595, -1.027) ( 1.739, -0.595, -1.027) ( 0.00, 0.00, 0.00) oop ( -0.260, 0.090, 0.151) ( -0.202, 0.070, 0.118) ( 1.49, 0.18, 0.50) vdw ( 4.932, 0.142, 8.178) ( 4.933, 0.142, 8.178) ( 0.00, 0.00, 0.00) electro ( -2.741, 5.922, -3.924) ( -2.741, 5.922, -3.924) ( 0.00, 0.00, 0.00) 33 ( 0.059, 0.082, -0.083) ( 0.093, 0.076, -0.098) ( 0.20, 0.05, 0.12) bond ( 4.715, 4.557, 6.062) ( 4.716, 4.560, 6.065) ( 0.02, 0.07, 0.06) angle ( -7.689, -18.240, -5.025) ( -7.688, -18.238, -5.024) ( 0.01, 0.01, 0.01) strbnd ( 3.295, -2.419, 7.181) ( 3.295, -2.419, 7.181) ( 0.00, 0.01, 0.00) torsion ( -1.716, 0.412, 0.834) ( -1.716, 0.412, 0.834) ( 0.01, 0.00, 0.00) oop ( -0.210, 0.072, 0.121) ( -0.178, 0.061, 0.103) ( 0.68, 0.08, 0.23) vdw ( 1.937, 10.751, -6.247) ( 1.938, 10.752, -6.247) ( 0.00, 0.00, 0.00) electro ( -0.274, 4.948, -3.009) ( -0.274, 4.948, -3.009) ( 0.00, 0.00, 0.00) 34 ( 0.389, 0.093, 0.080) ( 0.395, 0.098, 0.086) ( 0.24, 0.05, 0.05) bond ( -0.334, -4.761, 2.356) ( -0.329, -4.757, 2.361) ( 0.15, 0.10, 0.19) angle ( 0.189, 3.946, 0.226) ( 0.190, 3.948, 0.228) ( 0.03, 0.05, 0.04) strbnd ( 0.552, 0.973, 0.402) ( 0.551, 0.972, 0.402) ( 0.02, 0.16, 0.02) torsion ( 1.469, -0.111, -0.152) ( 1.469, -0.111, -0.152) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.779, 1.527, -7.078) ( -3.779, 1.527, -7.078) ( 0.00, 0.00, 0.00) electro ( 2.292, -1.482, 4.326) ( 2.292, -1.482, 4.326) ( 0.00, 0.00, 0.00) 35 ( 0.303, 0.212, 0.053) ( 0.304, 0.213, 0.055) ( 0.04, 0.01, 0.01) bond ( 0.249, 0.013, 0.448) ( 0.250, 0.013, 0.451) ( 0.02, 0.00, 0.12) angle ( 0.291, 0.661, -0.181) ( 0.291, 0.662, -0.181) ( 0.01, 0.04, 0.00) strbnd ( -0.215, -0.451, -0.159) ( -0.215, -0.451, -0.159) ( 0.00, 0.00, 0.00) torsion ( 0.017, -0.004, -0.009) ( 0.017, -0.004, -0.009) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.039, -0.007, -0.046) ( -0.039, -0.007, -0.046) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 36 ( 0.432, 0.172, 0.118) ( 0.434, 0.174, 0.120) ( 0.05, 0.03, 0.02) bond ( 0.425, -0.592, -0.547) ( 0.425, -0.590, -0.545) ( 0.03, 0.08, 0.07) angle ( 1.840, -0.935, 2.446) ( 1.841, -0.935, 2.446) ( 0.02, 0.03, 0.01) strbnd ( 0.155, -0.679, -0.026) ( 0.155, -0.679, -0.026) ( 0.00, 0.00, 0.00) torsion ( -0.272, -0.056, -0.151) ( -0.272, -0.056, -0.151) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.715, 2.434, -1.604) ( -1.715, 2.434, -1.604) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 37 ( 0.355, -0.026, 0.062) ( 0.358, -0.025, 0.062) ( 0.11, 0.00, 0.00) bond ( -0.517, -0.155, 0.092) ( -0.514, -0.155, 0.092) ( 0.16, 0.00, 0.00) angle ( 0.968, -1.352, 3.151) ( 0.969, -1.351, 3.152) ( 0.01, 0.04, 0.01) strbnd ( -0.412, -0.566, 0.270) ( -0.412, -0.566, 0.270) ( 0.00, 0.00, 0.00) torsion ( -0.011, -0.098, -0.229) ( -0.011, -0.098, -0.229) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.326, 2.145, -3.222) ( 0.326, 2.145, -3.222) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 26 # gradients ok 27 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85) bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00) 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52) bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00) 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25) bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00) 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29) bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00) 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75) bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00) 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13) bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00) 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51) bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00) 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93) bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00) 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02) bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00) 10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31) bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00) 11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19) bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00) 12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51) bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00) 13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32) bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00) 14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04) bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00) 15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03) bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00) 16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13) bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00) 17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58) bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00) 18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48) bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00) 19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00) bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00) 20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94) bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00) 21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12) bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00) 22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01) bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00) 23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06) bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00) 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04) bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) electro ( 0.674, 0.126, 0.022) ( 0.674, 0.126, 0.022) ( 0.00, 0.00, 0.00) 36 ( -1.808, 0.308, -0.348) ( -1.805, 0.309, -0.348) ( 0.20, 0.02, 0.00) bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) electro ( 0.777, -0.150, 0.089) ( 0.777, -0.150, 0.089) ( 0.00, 0.00, 0.00) 37 ( -1.444, 1.619, -0.423) ( -1.443, 1.622, -0.422) ( 0.07, 0.20, 0.08) bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) electro ( -0.014, -0.594, 0.068) ( -0.014, -0.594, 0.068) ( 0.00, 0.00, 0.00) 38 ( 0.288, 1.218, -0.020) ( 0.290, 1.221, -0.017) ( 0.05, 0.25, 0.01) bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) electro ( -1.298, 1.817, -0.456) ( -1.298, 1.817, -0.456) ( 0.00, 0.00, 0.00) 39 ( 4.199, -12.580, 1.746) ( 4.207, -12.584, 1.687) ( 0.18, 0.03, 3.36) bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) electro ( -6.258, 3.484, -0.293) ( -6.258, 3.484, -0.293) ( 0.00, 0.00, 0.00) ok 28 # gradients ok 29 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 (-37.071, -81.376, -8.715) (-37.065, -81.370, -8.711) ( 0.01, 0.01, 0.06) bond ( -6.927, -6.224, 0.204) ( -6.923, -6.219, 0.208) ( 0.06, 0.08, 0.07) angle (-43.402, -92.594, -5.039) (-43.401, -92.592, -5.037) ( 0.00, 0.00, 0.03) strbnd ( 17.017, 19.808, -1.013) ( 17.017, 19.807, -1.014) ( 0.00, 0.00, 0.03) torsion ( -0.140, 0.089, -0.286) ( -0.140, 0.089, -0.286) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.619, -2.454, -2.581) ( -3.619, -2.454, -2.581) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 2 (-39.440, 2.545, 50.699) (-39.434, 2.550, 50.705) ( 0.01, 0.18, 0.01) bond ( 2.221, 0.743, -4.295) ( 2.225, 0.746, -4.291) ( 0.19, 0.23, 0.10) angle (-30.186, 6.101, 43.460) (-30.184, 6.103, 43.462) ( 0.01, 0.03, 0.00) strbnd ( -8.549, -6.318, 14.014) ( -8.550, -6.318, 14.014) ( 0.01, 0.01, 0.00) torsion ( -0.634, -0.131, -0.999) ( -0.634, -0.131, -0.999) ( 0.00, 0.00, 0.01) oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.292, 2.150, -1.482) ( -2.292, 2.150, -1.482) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 3 ( -1.587, 40.280, -47.662) ( -1.722, 39.405, -48.005) ( 8.54, 2.17, 0.72) bond ( -0.509, 0.513, -6.367) ( -0.504, 0.517, -6.364) ( 0.25, 0.20, 0.05) angle ( 13.510, 14.854, -42.989) ( 13.512, 14.856, -42.987) ( 0.01, 0.01, 0.00) strbnd (-14.490, 2.857, -6.469) (-14.491, 2.857, -6.469) ( 0.01, 0.01, 0.01) torsion ( 0.820, 13.476, 6.086) ( 0.820, 13.476, 6.086) ( 0.00, 0.00, 0.00) oop ( -0.965, 7.596, 5.726) ( -1.106, 6.716, 5.379) (13.62, 11.59, 6.06) vdw ( 0.470, 0.645, -3.276) ( 0.471, 0.645, -3.276) ( 0.00, 0.00, 0.00) electro ( -0.424, 0.339, -0.373) ( -0.424, 0.339, -0.373) ( 0.00, 0.00, 0.00) 4 ( -3.751, 47.995, 62.741) ( -3.746, 48.001, 62.747) ( 0.14, 0.01, 0.01) bond ( -1.086, 2.486, 9.511) ( -1.082, 2.490, 9.516) ( 0.33, 0.17, 0.05) angle ( -4.863, 51.765, 70.840) ( -4.861, 51.767, 70.842) ( 0.04, 0.00, 0.00) strbnd ( 4.026, -10.734, -19.678) ( 4.025, -10.735, -19.679) ( 0.01, 0.01, 0.00) torsion ( 0.144, 0.700, -0.367) ( 0.144, 0.700, -0.367) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.972, 3.779, 2.435) ( -1.972, 3.779, 2.435) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 (-38.271, -131.602, -55.190) (-37.474, -129.364, -53.224) ( 2.08, 1.70, 3.56) bond ( 8.677, -20.361, -12.122) ( 8.681, -20.358, -12.120) ( 0.05, 0.02, 0.02) angle (-36.816, -71.485, 11.280) (-36.815, -71.484, 11.281) ( 0.00, 0.00, 0.01) strbnd ( 12.873, -5.181, 7.752) ( 12.873, -5.181, 7.752) ( 0.00, 0.00, 0.01) torsion (-12.225, -29.725, -36.119) (-12.225, -29.725, -36.119) ( 0.00, 0.00, 0.00) oop ( -5.173, -18.341, -24.805) ( -4.382, -16.108, -22.842) (15.29, 12.17, 7.91) vdw ( -5.982, 13.988, -1.401) ( -5.982, 13.988, -1.401) ( 0.00, 0.00, 0.00) electro ( 0.375, -0.497, 0.224) ( 0.375, -0.497, 0.224) ( 0.00, 0.00, 0.00) 6 ( 59.513, 60.458, 25.145) ( 58.727, 59.176, 24.316) ( 1.32, 2.12, 3.30) bond ( -6.489, -13.464, 18.197) ( -6.484, -13.459, 18.199) ( 0.07, 0.03, 0.01) angle ( 37.474, 50.266, -17.881) ( 37.475, 50.267, -17.880) ( 0.00, 0.00, 0.00) strbnd ( -3.586, -8.839, 8.084) ( -3.586, -8.840, 8.084) ( 0.01, 0.00, 0.00) torsion ( 14.651, 15.387, 15.614) ( 14.652, 15.387, 15.614) ( 0.00, 0.00, 0.00) oop ( 6.902, 8.223, 9.114) ( 6.110, 6.936, 8.282) (11.47, 15.66, 9.13) vdw ( 10.851, 9.567, -8.214) ( 10.851, 9.567, -8.214) ( 0.00, 0.00, 0.00) electro ( -0.290, -0.682, 0.230) ( -0.290, -0.682, 0.230) ( 0.00, 0.00, 0.00) 7 (-98.956, -30.139, 2.983) (-97.624, -30.391, 3.584) ( 1.35, 0.84, 20.16) bond (-36.725, -4.863, 0.794) (-36.719, -4.859, 0.795) ( 0.01, 0.08, 0.10) angle (-40.863, -11.120, -0.055) (-40.862, -11.119, -0.054) ( 0.00, 0.01, 0.00) strbnd (-15.761, -19.921, -0.231) (-15.761, -19.921, -0.231) ( 0.00, 0.00, 0.00) torsion (-16.151, -0.989, 6.996) (-16.151, -0.989, 6.996) ( 0.00, 0.00, 0.01) oop ( -6.016, 1.821, 0.042) ( -4.691, 1.564, 0.642) (22.03, 14.13, 2.51) vdw ( 17.210, 4.832, -4.353) ( 17.210, 4.832, -4.353) ( 0.00, 0.00, 0.00) electro ( -0.650, 0.102, -0.210) ( -0.650, 0.102, -0.210) ( 0.00, 0.00, 0.00) 8 ( 42.185, -29.144, 98.083) ( 40.890, -28.721, 95.733) ( 3.07, 1.45, 2.40) bond ( 0.216, 13.908, 14.316) ( 0.219, 13.913, 14.318) ( 0.06, 0.04, 0.01) angle ( 11.911, -57.274, 71.476) ( 11.912, -57.273, 71.477) ( 0.01, 0.00, 0.00) strbnd ( 12.084, 27.937, 5.019) ( 12.083, 27.936, 5.019) ( 0.00, 0.00, 0.00) torsion ( 3.830, 0.035, -3.860) ( 3.830, 0.035, -3.861) ( 0.00, 0.00, 0.00) oop ( 8.502, -2.885, 10.470) ( 7.204, -2.469, 8.117) (15.27, 14.44, 22.47) vdw ( 7.198, -12.680, 2.190) ( 7.198, -12.679, 2.190) ( 0.00, 0.00, 0.00) electro ( -1.556, 1.815, -1.528) ( -1.556, 1.815, -1.528) ( 0.00, 0.00, 0.00) 9 ( 32.579, 54.117, -119.425) ( 31.952, 53.028, -118.703) ( 1.92, 2.01, 0.60) bond ( 10.817, 9.746, -28.895) ( 10.820, 9.748, -28.889) ( 0.03, 0.02, 0.02) angle ( 35.048, 51.699, -72.855) ( 35.049, 51.701, -72.854) ( 0.00, 0.00, 0.00) strbnd ( 0.568, -4.532, -8.148) ( 0.567, -4.532, -8.148) ( 0.01, 0.00, 0.00) torsion ( -4.728, -6.617, -17.279) ( -4.728, -6.618, -17.279) ( 0.00, 0.01, 0.00) oop ( 1.204, 5.714, -4.530) ( 0.573, 4.622, -3.815) (52.37, 19.12, 15.77) vdw (-10.056, -2.512, 13.221) (-10.056, -2.512, 13.222) ( 0.00, 0.01, 0.00) electro ( -0.274, 0.620, -0.940) ( -0.274, 0.620, -0.940) ( 0.00, 0.00, 0.00) 10 ( -2.422, -19.944, 132.061) ( -2.392, -20.229, 130.455) ( 1.24, 1.43, 1.22) bond ( 18.269, 6.335, 0.967) ( 18.273, 6.339, 0.970) ( 0.02, 0.07, 0.23) angle (-27.608, -36.500, 84.948) (-27.607, -36.499, 84.949) ( 0.01, 0.00, 0.00) strbnd ( 12.909, 2.314, -3.833) ( 12.909, 2.313, -3.833) ( 0.00, 0.02, 0.00) torsion ( 5.991, 6.815, 25.602) ( 5.992, 6.815, 25.602) ( 0.00, 0.00, 0.00) oop ( 0.582, 4.956, 14.815) ( 0.605, 4.666, 13.205) ( 1.37, 5.85, 10.86) vdw (-13.143, -3.558, 9.953) (-13.143, -3.558, 9.953) ( 0.00, 0.00, 0.00) electro ( 0.579, -0.306, -0.390) ( 0.579, -0.306, -0.390) ( 0.00, 0.00, 0.00) 11 ( 47.658, -22.934, -63.453) ( 37.369, -23.638, -54.855) (21.59, 3.07, 13.55) bond (-11.073, 2.546, -4.952) (-11.069, 2.550, -4.949) ( 0.04, 0.18, 0.08) angle ( 14.987, -10.150, -58.721) ( 14.989, -10.148, -58.720) ( 0.01, 0.02, 0.00) strbnd ( 17.268, -10.877, 11.808) ( 17.267, -10.878, 11.807) ( 0.00, 0.01, 0.01) torsion ( 6.129, 3.198, 15.790) ( 6.129, 3.198, 15.790) ( 0.00, 0.00, 0.00) oop ( 18.909, -6.132, -23.821) ( 8.614, -6.841, -15.228) (54.44, 11.57, 36.07) vdw ( 1.389, -2.494, -1.281) ( 1.389, -2.494, -1.281) ( 0.00, 0.00, 0.00) electro ( 0.050, 0.975, -2.276) ( 0.050, 0.975, -2.276) ( 0.00, 0.00, 0.00) 12 ( 31.693, -14.126, -65.659) ( 31.699, -14.121, -65.654) ( 0.02, 0.04, 0.01) bond ( 4.025, -3.189, -9.311) ( 4.029, -3.185, -9.307) ( 0.10, 0.12, 0.05) angle ( 35.137, -10.001, -64.710) ( 35.139, -10.000, -64.708) ( 0.01, 0.02, 0.00) strbnd ( -5.006, 4.101, 11.332) ( -5.006, 4.101, 11.331) ( 0.01, 0.01, 0.01) torsion ( -2.865, -1.801, -0.962) ( -2.865, -1.801, -0.962) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.401, -3.237, -2.009) ( 0.401, -3.237, -2.009) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 (-44.560, -77.865, 136.018) (-23.829, -75.824, 121.163) (46.52, 2.62, 10.92) bond ( -2.460, 4.359, -8.933) ( -2.456, 4.363, -8.924) ( 0.18, 0.08, 0.10) angle ( 29.524, -109.944, 134.355) ( 29.525, -109.943, 134.355) ( 0.00, 0.00, 0.00) strbnd (-14.951, 10.444, -24.236) (-14.952, 10.444, -24.237) ( 0.01, 0.01, 0.01) torsion ( 1.176, -3.022, -8.395) ( 1.176, -3.022, -8.396) ( 0.06, 0.00, 0.01) oop (-59.918, 23.973, 41.115) (-39.191, 26.010, 26.252) (34.59, 8.49, 36.15) vdw ( 2.638, -3.488, 3.777) ( 2.638, -3.488, 3.777) ( 0.00, 0.00, 0.00) electro ( -0.568, -0.188, -1.665) ( -0.568, -0.188, -1.665) ( 0.00, 0.00, 0.00) 14 (-73.793, -5.351, -43.764) (-74.002, -4.993, -43.416) ( 0.28, 6.69, 0.79) bond ( 2.608, 8.877, -3.192) ( 2.609, 8.883, -3.190) ( 0.05, 0.08, 0.06) angle (-96.717, 12.033, -55.420) (-96.718, 12.033, -55.421) ( 0.00, 0.00, 0.00) strbnd ( -4.852, -11.840, 5.276) ( -4.852, -11.840, 5.276) ( 0.00, 0.00, 0.00) torsion ( 10.732, 0.866, 11.025) ( 10.727, 0.866, 11.022) ( 0.04, 0.00, 0.03) oop ( 12.415, -11.706, -6.666) ( 12.210, -11.356, -6.316) ( 1.65, 3.00, 5.26) vdw ( 1.533, -1.793, 3.152) ( 1.533, -1.793, 3.152) ( 0.00, 0.00, 0.00) electro ( 0.489, -1.787, 2.061) ( 0.489, -1.787, 2.061) ( 0.00, 0.00, 0.00) 15 ( 69.217, 103.058, -57.300) ( 59.276, 101.483, -50.491) (14.36, 1.53, 11.88) bond ( 2.268, 0.918, 3.526) ( 2.270, 0.919, 3.532) ( 0.12, 0.04, 0.18) angle ( 44.112, 114.284, -58.082) ( 44.112, 114.285, -58.082) ( 0.00, 0.00, 0.00) strbnd ( 4.938, 2.167, 7.080) ( 4.938, 2.167, 7.080) ( 0.01, 0.01, 0.00) torsion ( -3.970, 1.783, 2.088) ( -3.970, 1.783, 2.088) ( 0.00, 0.00, 0.00) oop ( 25.969, -6.898, -14.899) ( 16.024, -8.474, -8.097) (38.29, 22.85, 45.66) vdw ( 0.595, -0.501, 0.672) ( 0.595, -0.501, 0.672) ( 0.00, 0.00, 0.00) electro ( -4.694, -8.696, 2.316) ( -4.694, -8.696, 2.316) ( 0.00, 0.00, 0.00) 16 ( 10.862, 32.599, -5.193) ( 10.865, 32.600, -5.193) ( 0.03, 0.00, 0.01) bond ( 12.564, -2.116, -0.282) ( 12.567, -2.116, -0.282) ( 0.02, 0.01, 0.00) angle ( 5.837, 35.355, -5.146) ( 5.837, 35.356, -5.145) ( 0.00, 0.00, 0.01) strbnd ( -6.059, 0.924, 0.108) ( -6.059, 0.924, 0.108) ( 0.00, 0.00, 0.00) torsion ( 0.025, 0.048, 0.772) ( 0.025, 0.048, 0.772) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.506, -1.612, -0.646) ( -1.506, -1.612, -0.646) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 17 ( 23.103, 21.401, -13.776) ( 23.104, 21.402, -13.774) ( 0.00, 0.01, 0.01) bond ( 0.013, 7.722, 8.189) ( 0.013, 7.723, 8.191) ( 0.00, 0.02, 0.02) angle ( 23.319, 18.754, -17.721) ( 23.319, 18.754, -17.721) ( 0.00, 0.00, 0.00) strbnd ( -0.112, -4.214, -4.433) ( -0.112, -4.214, -4.433) ( 0.00, 0.00, 0.00) torsion ( 0.254, -0.191, 0.179) ( 0.254, -0.191, 0.179) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.370, -0.670, 0.010) ( -0.370, -0.670, 0.010) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 18 ( 33.905, 23.432, 15.855) ( 33.905, 23.433, 15.857) ( 0.00, 0.01, 0.01) bond ( 0.412, 8.070, -8.784) ( 0.412, 8.072, -8.782) ( 0.00, 0.02, 0.02) angle ( 35.086, 20.894, 20.850) ( 35.086, 20.894, 20.850) ( 0.00, 0.00, 0.00) strbnd ( -0.271, -3.980, 4.289) ( -0.271, -3.980, 4.289) ( 0.00, 0.00, 0.00) torsion ( 0.050, -0.044, -0.038) ( 0.050, -0.044, -0.038) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.372, -1.509, -0.461) ( -1.372, -1.509, -0.461) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 19 ( 7.842, 13.549, 15.910) ( 7.843, 13.550, 15.912) ( 0.01, 0.01, 0.01) bond ( 4.298, -5.557, 10.878) ( 4.298, -5.556, 10.880) ( 0.01, 0.01, 0.02) angle ( 5.140, 17.037, 6.669) ( 5.140, 17.038, 6.669) ( 0.01, 0.00, 0.00) strbnd ( -0.222, 0.518, -1.052) ( -0.222, 0.518, -1.052) ( 0.00, 0.00, 0.00) torsion ( 0.333, -0.021, -0.143) ( 0.333, -0.021, -0.143) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.708, 1.572, -0.443) ( -1.707, 1.572, -0.443) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 20 ( 24.224, 9.746, 3.735) ( 24.225, 9.747, 3.737) ( 0.00, 0.01, 0.06) bond ( 0.205, 8.145, 12.537) ( 0.205, 8.145, 12.539) ( 0.00, 0.01, 0.02) angle ( 25.409, 2.588, -2.097) ( 25.410, 2.588, -2.096) ( 0.00, 0.01, 0.01) strbnd ( -0.027, -1.112, -1.794) ( -0.027, -1.112, -1.794) ( 0.00, 0.00, 0.00) torsion ( -0.559, -0.957, 0.631) ( -0.559, -0.957, 0.631) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.804, 1.083, -5.542) ( -0.804, 1.083, -5.542) ( 0.01, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 21 (-14.013, -5.680, -13.049) (-14.012, -5.678, -13.048) ( 0.01, 0.05, 0.00) bond ( -4.768, -11.721, 2.019) ( -4.767, -11.719, 2.019) ( 0.01, 0.02, 0.01) angle ( -9.742, 1.595, -13.739) ( -9.741, 1.596, -13.738) ( 0.01, 0.01, 0.00) strbnd ( 0.618, 1.701, -0.398) ( 0.618, 1.701, -0.398) ( 0.00, 0.00, 0.00) torsion ( 0.143, 0.073, 0.763) ( 0.143, 0.073, 0.763) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.264, 2.671, -1.694) ( -0.263, 2.671, -1.694) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 22 (-11.466, -17.731, -34.136) (-11.464, -17.730, -34.135) ( 0.02, 0.00, 0.00) bond ( 10.515, -3.031, -3.787) ( 10.517, -3.031, -3.787) ( 0.02, 0.01, 0.01) angle (-17.099, -17.314, -33.631) (-17.099, -17.314, -33.630) ( 0.00, 0.00, 0.00) strbnd ( -4.687, 1.352, 1.833) ( -4.687, 1.352, 1.833) ( 0.00, 0.00, 0.00) torsion ( -0.036, -0.401, 0.221) ( -0.036, -0.401, 0.221) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.159, 1.663, 1.228) ( -0.159, 1.663, 1.228) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( 9.654, -14.702, -18.379) ( 9.655, -14.701, -18.377) ( 0.01, 0.01, 0.01) bond ( -3.691, 5.903, -11.062) ( -3.691, 5.904, -11.060) ( 0.01, 0.01, 0.02) angle ( 12.954, -19.869, -14.929) ( 12.955, -19.869, -14.929) ( 0.00, 0.00, 0.00) strbnd ( 1.489, -2.332, 4.677) ( 1.489, -2.332, 4.677) ( 0.00, 0.00, 0.00) torsion ( -0.247, -0.126, 0.015) ( -0.247, -0.126, 0.015) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.851, 1.721, 2.920) ( -0.851, 1.721, 2.920) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( 14.540, -7.004, -26.289) ( 14.541, -7.001, -26.288) ( 0.01, 0.04, 0.00) bond ( -4.182, -9.280, -1.526) ( -4.182, -9.277, -1.526) ( 0.01, 0.03, 0.01) angle ( 17.244, -3.364, -26.810) ( 17.244, -3.364, -26.810) ( 0.00, 0.00, 0.00) strbnd ( 2.112, 4.668, 0.929) ( 2.112, 4.668, 0.929) ( 0.00, 0.00, 0.00) torsion ( 0.199, -0.107, 0.107) ( 0.199, -0.107, 0.107) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.832, 1.079, 1.011) ( -0.832, 1.079, 1.011) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( -2.146, 11.421, -4.557) ( -2.080, 11.484, -4.381) ( 3.09, 0.55, 3.87) bond ( -0.517, -0.905, 0.501) ( -0.517, -0.903, 0.502) ( 0.04, 0.21, 0.04) angle ( -5.394, 1.536, -2.786) ( -5.394, 1.537, -2.786) ( 0.01, 0.01, 0.00) strbnd ( 4.247, 7.387, -3.525) ( 4.247, 7.387, -3.525) ( 0.00, 0.00, 0.00) torsion ( -1.245, 2.897, 3.928) ( -1.245, 2.897, 3.928) ( 0.00, 0.00, 0.00) oop ( -0.602, -0.657, -1.800) ( -0.537, -0.596, -1.625) ( 3.91, 3.97, 9.75) vdw ( 1.342, 0.777, -0.631) ( 1.342, 0.777, -0.631) ( 0.00, 0.00, 0.00) electro ( 0.023, 0.386, -0.243) ( 0.023, 0.386, -0.243) ( 0.00, 0.00, 0.00) 26 ( 8.264, -9.314, -14.985) ( 7.913, -9.070, -14.378) ( 4.25, 2.62, 4.05) bond ( 0.510, 0.130, 0.247) ( 0.513, 0.130, 0.248) ( 0.15, 0.00, 0.02) angle ( -0.687, -4.473, 3.772) ( -0.687, -4.472, 3.772) ( 0.00, 0.01, 0.00) strbnd ( -3.764, -0.803, -0.766) ( -3.764, -0.803, -0.766) ( 0.00, 0.00, 0.01) torsion ( 8.777, -3.424, -16.387) ( 8.777, -3.424, -16.387) ( 0.00, 0.00, 0.00) oop ( 1.606, -0.922, -2.844) ( 1.252, -0.679, -2.237) (22.07, 22.40, 21.34) vdw ( 1.106, -0.058, 0.139) ( 1.106, -0.058, 0.139) ( 0.00, 0.00, 0.00) electro ( 0.715, 0.236, 0.855) ( 0.715, 0.236, 0.855) ( 0.00, 0.00, 0.00) 27 ( -9.529, -0.985, 0.936) ( -8.994, -0.277, 0.839) ( 5.61, 69.82, 9.15) bond ( -0.257, 0.039, -1.081) ( -0.257, 0.039, -1.078) ( 0.01, 0.00, 0.33) angle ( -2.751, 5.638, 0.859) ( -2.751, 5.638, 0.859) ( 0.01, 0.00, 0.00) strbnd ( -0.092, 0.684, -4.568) ( -0.092, 0.685, -4.568) ( 0.00, 0.00, 0.00) torsion ( -4.710, -4.641, 0.953) ( -4.710, -4.641, 0.953) ( 0.00, 0.00, 0.00) oop ( -2.117, -3.288, 0.385) ( -1.584, -2.580, 0.284) (25.20, 21.55, 3.90) vdw ( -0.554, 0.339, 2.803) ( -0.554, 0.339, 2.803) ( 0.00, 0.00, 0.00) electro ( 0.953, 0.243, 1.585) ( 0.953, 0.243, 1.585) ( 0.00, 0.00, 0.00) 28 (-35.688, 35.118, -12.756) (-35.489, 35.165, -12.454) ( 0.56, 0.13, 2.37) bond ( -0.608, -0.110, 0.410) ( -0.606, -0.110, 0.411) ( 0.16, 0.00, 0.05) angle (-20.084, 33.989, -20.477) (-20.083, 33.989, -20.477) ( 0.00, 0.00, 0.00) strbnd (-11.144, -1.712, 8.116) (-11.144, -1.712, 8.116) ( 0.00, 0.00, 0.00) torsion ( -1.403, 5.730, -0.531) ( -1.403, 5.730, -0.531) ( 0.00, 0.00, 0.00) oop ( -1.298, -1.456, -2.303) ( -1.102, -1.410, -2.002) (15.09, 3.14, 13.07) vdw ( -0.679, -1.424, 2.000) ( -0.679, -1.424, 2.000) ( 0.00, 0.00, 0.00) electro ( -0.472, 0.102, 0.028) ( -0.472, 0.102, 0.028) ( 0.00, 0.00, 0.00) 29 ( 6.269, 4.842, 17.665) ( 6.271, 4.844, 17.666) ( 0.04, 0.03, 0.00) bond ( 13.347, 7.815, 1.928) ( 13.349, 7.816, 1.928) ( 0.02, 0.01, 0.01) angle ( -3.942, 1.678, 20.486) ( -3.942, 1.679, 20.487) ( 0.01, 0.03, 0.00) strbnd ( -1.485, -0.391, -0.372) ( -1.485, -0.391, -0.372) ( 0.00, 0.00, 0.00) torsion ( -0.296, 0.484, 0.090) ( -0.296, 0.484, 0.090) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.355, -4.745, -4.467) ( -1.355, -4.744, -4.467) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( -8.350, 0.131, 25.967) ( -8.349, 0.134, 25.968) ( 0.01, 0.04, 0.00) bond ( -1.481, 11.557, 2.165) ( -1.481, 11.560, 2.165) ( 0.01, 0.03, 0.01) angle ( -9.788, -6.150, 26.139) ( -9.788, -6.150, 26.139) ( 0.00, 0.00, 0.00) strbnd ( 0.626, -4.365, -1.021) ( 0.626, -4.365, -1.021) ( 0.00, 0.00, 0.00) torsion ( 1.782, 0.049, 0.957) ( 1.782, 0.049, 0.957) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.511, -0.961, -2.273) ( 0.511, -0.961, -2.273) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 31 (-14.899, 11.820, 16.748) (-14.898, 11.820, 16.750) ( 0.01, 0.01, 0.01) bond ( 5.176, -2.757, 10.225) ( 5.177, -2.757, 10.227) ( 0.01, 0.01, 0.02) angle (-19.241, 13.946, 13.498) (-19.241, 13.947, 13.498) ( 0.00, 0.00, 0.00) strbnd ( -2.072, 1.072, -4.471) ( -2.072, 1.072, -4.471) ( 0.00, 0.00, 0.00) torsion ( 0.541, 0.941, -0.020) ( 0.541, 0.941, -0.020) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.698, -1.382, -2.484) ( 0.698, -1.382, -2.484) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 32 ( -4.993, 10.176, 24.023) ( -4.991, 10.177, 24.024) ( 0.05, 0.01, 0.00) bond (-10.690, -3.803, 2.337) (-10.687, -3.803, 2.338) ( 0.02, 0.01, 0.01) angle ( 0.606, 13.614, 24.917) ( 0.606, 13.614, 24.917) ( 0.00, 0.00, 0.00) strbnd ( 3.553, 1.168, -0.972) ( 3.553, 1.168, -0.972) ( 0.00, 0.00, 0.00) torsion ( -0.030, 0.061, -0.037) ( -0.030, 0.061, -0.037) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.567, -0.863, -2.222) ( 1.567, -0.863, -2.222) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 33 ( 19.334, -14.895, -24.368) ( 19.332, -14.890, -24.369) ( 0.01, 0.03, 0.00) bond ( -4.753, -12.511, 5.560) ( -4.753, -12.507, 5.561) ( 0.01, 0.03, 0.01) angle ( 21.861, -17.415, -20.481) ( 21.860, -17.414, -20.482) ( 0.00, 0.00, 0.00) strbnd ( 2.809, 8.054, -3.331) ( 2.809, 8.054, -3.331) ( 0.00, 0.00, 0.00) torsion ( -6.332, -0.435, -6.389) ( -6.334, -0.435, -6.390) ( 0.02, 0.00, 0.02) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.007, 0.074, -0.052) ( 0.007, 0.074, -0.052) ( 0.00, 0.00, 0.00) electro ( 5.743, 7.338, 0.326) ( 5.743, 7.338, 0.326) ( 0.00, 0.00, 0.00) ok 30 # gradients ok 31 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -0.056, -0.051, 0.261) ( -0.002, 0.035, 0.079) ( 0.30, 0.44, 4.74) bond ( 6.922, 0.175, 2.287) ( 6.926, 0.180, 2.292) ( 0.06, 0.08, 0.20) angle ( -5.931, 2.410, 0.271) ( -5.930, 2.412, 0.272) ( 0.03, 0.08, 0.04) strbnd ( 0.198, 0.872, 0.213) ( 0.197, 0.872, 0.213) ( 0.01, 0.04, 0.01) torsion ( 0.668, -0.373, -2.325) ( 0.668, -0.373, -2.325) ( 0.00, 0.00, 0.00) oop ( -0.334, -0.538, 1.283) ( -0.285, -0.457, 1.096) ( 1.63, 4.32, 14.61) vdw ( -0.832, -1.739, -0.997) ( -0.832, -1.739, -0.997) ( 0.00, 0.00, 0.00) electro ( -0.746, -0.859, -0.471) ( -0.746, -0.859, -0.471) ( 0.00, 0.00, 0.00) 2 ( 0.014, 0.361, -0.764) ( -0.121, 0.105, -0.143) ( 0.18, 9.21, 47.41) bond ( -2.739, 1.957, -0.129) ( -2.733, 1.965, -0.128) ( 0.24, 0.42, 0.02) angle ( 14.443, -7.136, 1.147) ( 14.446, -7.134, 1.148) ( 0.02, 0.02, 0.06) strbnd ( -7.334, 6.670, 1.385) ( -7.335, 6.668, 1.385) ( 0.01, 0.03, 0.02) torsion ( -0.037, 0.168, 0.014) ( -0.037, 0.168, 0.014) ( 0.00, 0.00, 0.00) oop ( 0.865, 1.488, -3.541) ( 0.722, 1.224, -2.922) (12.35, 17.72, 17.47) vdw ( -4.625, -1.230, -1.537) ( -4.625, -1.230, -1.537) ( 0.00, 0.00, 0.00) electro ( -0.559, -1.556, 1.897) ( -0.559, -1.556, 1.897) ( 0.00, 0.00, 0.00) 3 ( -0.029, -0.024, 0.069) ( -0.028, -0.021, 0.070) ( 0.00, 0.01, 0.00) bond ( 0.134, 0.394, -0.032) ( 0.135, 0.397, -0.032) ( 0.00, 0.12, 0.00) angle ( 1.589, -0.626, -1.067) ( 1.590, -0.626, -1.067) ( 0.03, 0.00, 0.04) strbnd ( 0.319, 0.162, 0.070) ( 0.319, 0.162, 0.070) ( 0.00, 0.00, 0.00) torsion ( -0.341, 0.212, 1.185) ( -0.341, 0.212, 1.185) ( 0.00, 0.00, 0.00) oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -1.730, -0.167, -0.086) ( -1.730, -0.167, -0.086) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 4 ( 0.009, -0.000, 0.009) ( 0.010, 0.001, 0.011) ( 0.00, 0.00, 0.00) bond ( 0.230, -0.232, -0.242) ( 0.231, -0.231, -0.241) ( 0.03, 0.03, 0.03) angle ( 3.596, 2.214, 1.320) ( 3.596, 2.214, 1.320) ( 0.01, 0.01, 0.02) strbnd ( 0.657, -0.379, -0.320) ( 0.657, -0.379, -0.320) ( 0.00, 0.00, 0.00) torsion ( 0.004, 0.023, -0.019) ( 0.004, 0.023, -0.019) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.478, -1.627, -0.730) ( -4.478, -1.627, -0.730) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 ( -0.022, -0.019, 0.016) ( -0.022, -0.018, 0.019) ( 0.00, 0.00, 0.01) bond ( 0.002, -0.007, 0.018) ( 0.002, -0.007, 0.021) ( 0.00, 0.00, 0.01) angle ( 0.435, -0.097, -0.074) ( 0.436, -0.096, -0.074) ( 0.02, 0.00, 0.00) strbnd ( 0.316, -0.158, 0.593) ( 0.316, -0.158, 0.593) ( 0.00, 0.00, 0.00) torsion ( -0.046, 0.322, 0.110) ( -0.046, 0.322, 0.110) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.730, -0.080, -0.631) ( -0.730, -0.080, -0.631) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 6 ( -0.046, -0.324, 0.524) ( 0.044, -0.163, 0.161) ( 0.41, 5.19, 19.00) bond ( -2.835, 3.345, 0.762) ( -2.831, 3.350, 0.763) ( 0.13, 0.16, 0.02) angle ( -1.494, -1.139, -0.542) ( -1.493, -1.138, -0.541) ( 0.03, 0.02, 0.01) strbnd ( 7.239, -8.454, -1.930) ( 7.239, -8.454, -1.930) ( 0.00, 0.00, 0.00) torsion ( 0.143, 0.217, -0.423) ( 0.143, 0.217, -0.423) ( 0.00, 0.00, 0.00) oop ( -0.410, -0.742, 1.739) ( -0.325, -0.588, 1.376) ( 3.49, 11.48, 20.89) vdw ( -4.309, -6.669, -2.520) ( -4.309, -6.669, -2.520) ( 0.00, 0.00, 0.00) electro ( 1.620, 13.118, 3.437) ( 1.620, 13.118, 3.437) ( 0.00, 0.00, 0.00) 7 ( 0.163, 0.254, -0.307) ( 0.096, 0.140, -0.063) ( 1.10, 2.91, 7.49) bond ( 17.866, -2.904, 4.744) ( 17.871, -2.899, 4.745) ( 0.03, 0.18, 0.03) angle ( -8.512, -0.397, -1.184) ( -8.510, -0.396, -1.183) ( 0.02, 0.07, 0.06) strbnd ( 0.437, -1.121, -0.832) ( 0.437, -1.122, -0.833) ( 0.02, 0.06, 0.02) torsion ( -1.343, -1.618, 4.839) ( -1.343, -1.618, 4.840) ( 0.00, 0.00, 0.01) oop ( 0.386, 0.773, -1.451) ( 0.312, 0.652, -1.209) ( 2.86, 9.34, 16.66) vdw ( 1.892, 2.121, 0.955) ( 1.893, 2.121, 0.955) ( 0.01, 0.00, 0.00) electro (-10.563, 3.402, -7.378) (-10.563, 3.402, -7.378) ( 0.00, 0.00, 0.00) 8 ( -0.072, -0.167, 0.304) ( -0.035, -0.084, 0.148) ( 0.26, 1.38, 4.74) bond ( -1.088, 0.983, 0.272) ( -1.086, 0.985, 0.272) ( 0.24, 0.21, 0.00) angle ( -1.860, -1.398, -2.356) ( -1.859, -1.398, -2.356) ( 0.02, 0.02, 0.01) strbnd ( -0.431, 2.009, 1.109) ( -0.431, 2.009, 1.109) ( 0.00, 0.00, 0.00) torsion ( 0.178, 0.549, -1.277) ( 0.178, 0.549, -1.277) ( 0.00, 0.00, 0.01) oop ( -0.244, -0.585, 1.144) ( -0.210, -0.505, 0.988) ( 0.82, 4.70, 13.65) vdw ( 1.404, 2.236, 1.130) ( 1.404, 2.236, 1.130) ( 0.00, 0.00, 0.00) electro ( 1.969, -3.962, 0.282) ( 1.969, -3.962, 0.282) ( 0.00, 0.00, 0.00) 9 ( -0.704, -0.671, -0.056) ( 0.394, 0.371, 0.139) (77.26, 69.84, 1.09) bond ( -7.812, -8.638, -5.588) ( -7.808, -8.633, -5.586) ( 0.05, 0.05, 0.04) angle ( 12.778, 11.374, 19.741) ( 12.780, 11.376, 19.743) ( 0.02, 0.02, 0.01) strbnd ( 4.362, 3.842, -7.340) ( 4.361, 3.842, -7.341) ( 0.02, 0.02, 0.01) torsion ( -1.339, -2.456, -4.051) ( -1.339, -2.456, -4.051) ( 0.00, 0.00, 0.00) oop ( -4.513, -5.190, -1.298) ( -3.420, -4.155, -1.107) (24.21, 19.95, 14.74) vdw ( 0.230, 3.142, 1.240) ( 0.230, 3.143, 1.240) ( 0.00, 0.00, 0.00) electro ( -4.410, -2.746, -2.761) ( -4.410, -2.746, -2.761) ( 0.00, 0.00, 0.00) 10 ( -0.145, 0.204, 0.151) ( -0.062, 0.014, -0.015) ( 1.21, 3.88, 2.49) bond ( -0.630, 1.775, 12.572) ( -0.627, 1.778, 12.577) ( 0.18, 0.16, 0.04) angle ( 6.045, 0.014, -16.923) ( 6.048, 0.016, -16.921) ( 0.04, 0.00, 0.01) strbnd ( -7.393, -1.780, -1.355) ( -7.394, -1.782, -1.356) ( 0.01, 0.08, 0.05) torsion ( -2.978, 1.047, -0.463) ( -2.978, 1.047, -0.463) ( 0.00, 0.00, 0.00) oop ( 1.166, 3.054, 2.028) ( 1.244, 2.860, 1.857) ( 6.76, 6.34, 8.45) vdw ( 2.417, 3.304, 0.233) ( 2.417, 3.304, 0.233) ( 0.00, 0.00, 0.00) electro ( 1.227, -7.208, 4.059) ( 1.227, -7.208, 4.059) ( 0.00, 0.00, 0.00) 11 ( -0.193, -2.395, -0.387) ( 0.210, -0.194, 0.018) ( 7.77, 91.89, 15.69) bond ( 10.742, 6.592, -1.930) ( 10.747, 6.594, -1.926) ( 0.05, 0.02, 0.18) angle ( -4.937, -17.076, 7.817) ( -4.936, -17.075, 7.819) ( 0.04, 0.01, 0.03) strbnd ( -1.830, -0.656, 3.895) ( -1.830, -0.657, 3.894) ( 0.03, 0.03, 0.01) torsion ( 5.970, 14.380, -7.419) ( 5.971, 14.380, -7.419) ( 0.00, 0.00, 0.00) oop ( -6.219, -17.227, -5.679) ( -5.823, -15.030, -5.279) ( 6.37, 12.76, 7.04) vdw ( -1.251, 1.961, 1.619) ( -1.251, 1.961, 1.619) ( 0.01, 0.00, 0.00) electro ( -2.668, 9.632, 1.310) ( -2.668, 9.632, 1.309) ( 0.00, 0.00, 0.00) 12 ( -0.015, -0.043, -0.016) ( -0.014, -0.042, -0.013) ( 0.00, 0.01, 0.00) bond ( -0.064, -0.227, -0.383) ( -0.063, -0.226, -0.380) ( 0.00, 0.02, 0.10) angle ( -5.122, -0.874, 1.372) ( -5.121, -0.873, 1.372) ( 0.01, 0.03, 0.01) strbnd ( 0.712, 0.432, 0.989) ( 0.712, 0.432, 0.989) ( 0.00, 0.00, 0.00) torsion ( 0.289, -0.711, 0.374) ( 0.289, -0.711, 0.374) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.169, 1.337, -2.368) ( 4.169, 1.337, -2.368) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 13 ( 0.009, -0.036, -0.036) ( 0.011, -0.034, -0.035) ( 0.00, 0.01, 0.00) bond ( 7.080, -17.260, 8.482) ( 7.081, -17.259, 8.482) ( 0.02, 0.01, 0.00) angle ( -5.148, 2.623, -1.308) ( -5.148, 2.624, -1.307) ( 0.00, 0.03, 0.05) strbnd ( -0.387, 6.300, -1.373) ( -0.387, 6.299, -1.373) ( 0.00, 0.01, 0.00) torsion ( 0.837, 0.450, 0.871) ( 0.837, 0.450, 0.871) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.152, 6.289, -6.678) ( -2.152, 6.289, -6.677) ( 0.01, 0.00, 0.00) electro ( -0.220, 1.563, -0.030) ( -0.220, 1.563, -0.030) ( 0.00, 0.00, 0.00) 14 ( 3.917, 5.394, 1.410) ( -0.341, 0.047, -0.005) (108.71, 99.13, 100.32) bond ( 1.728, 7.650, -26.617) ( 1.731, 7.651, -26.606) ( 0.18, 0.02, 0.04) angle (-12.444, -3.256, -6.802) (-12.443, -3.255, -6.800) ( 0.01, 0.03, 0.03) strbnd ( -0.283, -8.072, 23.375) ( -0.284, -8.072, 23.374) ( 0.01, 0.00, 0.01) torsion ( -1.208, -7.791, 2.702) ( -1.208, -7.791, 2.702) ( 0.01, 0.00, 0.00) oop ( 16.911, 22.685, 7.558) ( 12.649, 17.335, 6.131) (25.21, 23.58, 18.88) vdw ( -7.544, -1.421, 3.983) ( -7.544, -1.421, 3.983) ( 0.00, 0.00, 0.00) electro ( 6.757, -4.401, -2.789) ( 6.757, -4.401, -2.789) ( 0.00, 0.00, 0.00) 15 ( 0.005, 0.033, -0.033) ( 0.006, 0.036, -0.032) ( 0.00, 0.01, 0.00) bond ( -0.124, -3.231, -0.971) ( -0.124, -3.228, -0.971) ( 0.00, 0.10, 0.03) angle ( 4.975, 0.074, -0.882) ( 4.976, 0.074, -0.882) ( 0.01, 0.00, 0.04) strbnd ( -1.156, 1.633, -0.157) ( -1.156, 1.633, -0.157) ( 0.00, 0.00, 0.00) torsion ( -0.003, -0.118, 0.391) ( -0.003, -0.118, 0.391) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -3.688, 1.674, 1.586) ( -3.688, 1.674, 1.586) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 16 ( -2.750, -3.359, -1.104) ( -0.093, -0.188, -0.129) (96.60, 94.39, 88.36) bond ( -4.283, -2.663, 20.496) ( -4.282, -2.663, 20.505) ( 0.01, 0.00, 0.05) angle ( -0.168, 2.881, 0.339) ( -0.168, 2.882, 0.339) ( 0.01, 0.01, 0.00) strbnd ( 4.201, 1.886, -19.314) ( 4.201, 1.886, -19.314) ( 0.00, 0.01, 0.00) torsion ( 1.537, 3.049, 0.717) ( 1.537, 3.049, 0.717) ( 0.00, 0.00, 0.00) oop ( -7.000, -8.683, -2.589) ( -4.344, -5.513, -1.623) (37.94, 36.51, 37.31) vdw ( -3.415, -0.431, 2.105) ( -3.415, -0.431, 2.105) ( 0.00, 0.00, 0.00) electro ( 6.378, 0.602, -2.858) ( 6.378, 0.602, -2.858) ( 0.00, 0.00, 0.00) 17 ( 0.022, -0.029, -0.074) ( 0.027, -0.025, -0.069) ( 0.01, 0.01, 0.03) bond ( -7.091, 2.130, -1.977) ( -7.088, 2.132, -1.974) ( 0.05, 0.14, 0.17) angle ( 4.462, 8.345, -1.889) ( 4.464, 8.347, -1.887) ( 0.04, 0.02, 0.09) strbnd ( 3.433, -7.634, 3.029) ( 3.432, -7.635, 3.028) ( 0.02, 0.01, 0.02) torsion ( -1.295, -0.201, -0.359) ( -1.295, -0.201, -0.359) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.436, 1.064, -0.784) ( 0.436, 1.064, -0.784) ( 0.00, 0.00, 0.00) electro ( 0.078, -3.732, 1.907) ( 0.078, -3.732, 1.907) ( 0.00, 0.00, 0.00) 18 ( -0.527, 0.717, 0.247) ( -0.131, -0.014, -0.098) (20.83, 52.36, 8.52) bond ( 2.690, -5.259, -9.175) ( 2.694, -5.255, -9.171) ( 0.14, 0.07, 0.05) angle ( 0.459, 8.749, 5.203) ( 0.461, 8.751, 5.206) ( 0.09, 0.02, 0.04) strbnd ( 3.654, -2.284, -2.072) ( 3.653, -2.285, -2.073) ( 0.03, 0.02, 0.02) torsion ( 2.026, -5.810, 3.568) ( 2.026, -5.810, 3.568) ( 0.00, 0.00, 0.00) oop ( -2.189, 4.693, 2.103) ( -1.798, 3.957, 1.752) (17.86, 15.67, 16.70) vdw ( 0.057, -1.642, 0.671) ( 0.057, -1.642, 0.671) ( 0.00, 0.00, 0.00) electro ( -7.224, 2.269, -0.051) ( -7.224, 2.269, -0.051) ( 0.00, 0.00, 0.00) 19 ( 0.014, -0.054, 0.035) ( 0.020, -0.048, 0.040) ( 0.01, 0.03, 0.02) bond ( -4.572, 7.582, 9.251) ( -4.568, 7.586, 9.256) ( 0.10, 0.06, 0.05) angle ( 4.311, -10.172, -3.123) ( 4.312, -10.170, -3.121) ( 0.04, 0.02, 0.06) strbnd ( -2.161, 2.017, 1.879) ( -2.161, 2.016, 1.878) ( 0.02, 0.03, 0.04) torsion ( -0.707, -0.056, -0.329) ( -0.707, -0.056, -0.328) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 3.144, 0.575, -7.644) ( 3.144, 0.575, -7.644) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 20 ( 0.055, 0.023, -0.083) ( 0.061, 0.028, -0.077) ( 0.03, 0.01, 0.05) bond ( -7.858, -5.077, -5.109) ( -7.854, -5.072, -5.105) ( 0.05, 0.09, 0.09) angle ( 6.358, 2.036, 6.266) ( 6.360, 2.038, 6.268) ( 0.03, 0.09, 0.03) strbnd ( -2.171, -0.422, -1.231) ( -2.172, -0.423, -1.232) ( 0.04, 0.02, 0.05) torsion ( 0.971, -0.883, -0.568) ( 0.971, -0.883, -0.568) ( 0.00, 0.00, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.756, 4.369, 0.559) ( 2.756, 4.369, 0.559) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 21 ( 1.073, 0.070, -0.862) ( 0.111, -0.108, -0.067) (89.62, 1.25, 68.53) bond ( -7.303, 18.452, -4.755) ( -7.301, 18.461, -4.751) ( 0.03, 0.05, 0.10) angle ( 11.493, -17.158, 1.980) ( 11.494, -17.156, 1.981) ( 0.01, 0.01, 0.07) strbnd ( -4.739, 3.053, -5.420) ( -4.739, 3.052, -5.421) ( 0.01, 0.04, 0.02) torsion ( -1.507, 0.152, 2.650) ( -1.507, 0.152, 2.650) ( 0.01, 0.00, 0.00) oop ( 5.247, 1.013, -4.389) ( 4.282, 0.825, -3.599) (18.39, 18.57, 18.00) vdw ( -2.898, -4.553, 6.605) ( -2.898, -4.553, 6.605) ( 0.00, 0.00, 0.00) electro ( 0.780, -0.889, 2.467) ( 0.780, -0.889, 2.467) ( 0.00, 0.00, 0.00) 22 ( 0.011, 0.068, 0.026) ( 0.012, 0.070, 0.029) ( 0.00, 0.01, 0.01) bond ( 0.328, -2.247, -3.859) ( 0.328, -2.246, -3.857) ( 0.00, 0.04, 0.06) angle ( -0.121, 1.446, -0.853) ( -0.120, 1.446, -0.853) ( 0.01, 0.03, 0.01) strbnd ( 0.002, 0.481, 0.353) ( 0.002, 0.481, 0.353) ( 0.00, 0.00, 0.00) torsion ( -2.329, -0.221, -0.069) ( -2.329, -0.221, -0.069) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.131, 0.609, 4.454) ( 2.131, 0.609, 4.454) ( 0.01, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( -0.191, -0.011, 0.189) ( 0.002, 0.035, 0.026) ( 3.69, 0.05, 3.08) bond ( 2.346, -0.713, 2.597) ( 2.348, -0.708, 2.600) ( 0.09, 0.35, 0.10) angle ( -9.647, 2.693, -9.181) ( -9.647, 2.694, -9.181) ( 0.00, 0.05, 0.00) strbnd ( 2.977, 2.363, 3.838) ( 2.977, 2.363, 3.837) ( 0.00, 0.00, 0.00) torsion ( 0.013, 0.016, -0.011) ( 0.013, 0.016, -0.011) ( 0.00, 0.00, 0.00) oop ( -1.579, -0.309, 1.374) ( -1.388, -0.270, 1.208) (12.09, 1.23, 12.08) vdw ( 1.642, -3.834, 1.605) ( 1.642, -3.834, 1.605) ( 0.00, 0.00, 0.00) electro ( 4.057, -0.227, -0.032) ( 4.057, -0.227, -0.032) ( 0.00, 0.00, 0.00) 24 ( 0.004, 0.003, -0.053) ( 0.005, 0.004, -0.052) ( 0.00, 0.00, 0.01) bond ( -1.196, 1.182, -0.827) ( -1.194, 1.183, -0.827) ( 0.12, 0.11, 0.05) angle ( -1.332, -1.852, -0.728) ( -1.331, -1.852, -0.727) ( 0.02, 0.02, 0.03) strbnd ( 0.241, -1.027, 0.189) ( 0.241, -1.026, 0.189) ( 0.00, 0.00, 0.00) torsion ( -0.038, 0.002, 0.057) ( -0.038, 0.002, 0.057) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.329, 1.697, 1.256) ( 2.329, 1.697, 1.256) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( -0.012, -0.040, -0.043) ( -0.010, -0.039, -0.041) ( 0.00, 0.01, 0.01) bond ( -1.200, -1.265, 1.435) ( -1.199, -1.264, 1.436) ( 0.08, 0.08, 0.10) angle ( -2.311, -0.524, -2.391) ( -2.311, -0.524, -2.391) ( 0.01, 0.02, 0.01) strbnd ( -0.046, 0.131, -0.817) ( -0.046, 0.131, -0.817) ( 0.00, 0.00, 0.00) torsion ( 0.070, -0.086, -0.017) ( 0.070, -0.086, -0.017) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 3.476, 1.704, 1.748) ( 3.476, 1.704, 1.748) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 ( 0.017, 0.031, -0.062) ( 0.018, 0.032, -0.060) ( 0.00, 0.00, 0.01) bond ( 0.799, -1.340, -1.580) ( 0.799, -1.338, -1.578) ( 0.04, 0.09, 0.11) angle ( -3.338, -0.613, -1.171) ( -3.337, -0.613, -1.171) ( 0.01, 0.02, 0.02) strbnd ( -0.745, 0.134, 0.227) ( -0.745, 0.134, 0.227) ( 0.00, 0.00, 0.00) torsion ( 0.007, -0.067, 0.060) ( 0.007, -0.067, 0.060) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 3.293, 1.916, 2.401) ( 3.293, 1.916, 2.401) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 27 ( -0.029, -0.013, -0.016) ( -0.027, -0.011, -0.015) ( 0.01, 0.00, 0.00) bond ( -1.391, 1.340, -0.747) ( -1.389, 1.342, -0.747) ( 0.11, 0.11, 0.03) angle ( -1.015, 0.530, 2.839) ( -1.015, 0.530, 2.840) ( 0.02, 0.01, 0.02) strbnd ( 0.553, -0.368, 1.021) ( 0.553, -0.368, 1.021) ( 0.00, 0.00, 0.00) torsion ( -0.250, -0.232, 0.047) ( -0.250, -0.232, 0.047) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.074, -1.282, -3.176) ( 2.074, -1.282, -3.176) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 28 ( -0.034, -0.055, -0.010) ( -0.032, -0.053, -0.008) ( 0.01, 0.01, 0.00) bond ( 1.317, 0.998, 0.899) ( 1.318, 0.999, 0.900) ( 0.13, 0.10, 0.07) angle ( -2.910, 1.945, 2.102) ( -2.910, 1.946, 2.102) ( 0.01, 0.02, 0.02) strbnd ( -0.799, 0.069, 0.229) ( -0.799, 0.069, 0.229) ( 0.00, 0.00, 0.00) torsion ( -0.012, 0.069, -0.059) ( -0.012, 0.069, -0.059) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.371, -3.136, -3.182) ( 2.371, -3.135, -3.182) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 29 ( -0.014, -0.055, -0.036) ( -0.012, -0.054, -0.034) ( 0.00, 0.01, 0.01) bond ( -1.198, -1.403, 1.700) ( -1.197, -1.402, 1.701) ( 0.06, 0.08, 0.09) angle ( -1.824, 2.897, 1.105) ( -1.823, 2.897, 1.105) ( 0.02, 0.01, 0.02) strbnd ( 0.202, 1.021, -0.133) ( 0.202, 1.021, -0.133) ( 0.00, 0.00, 0.00) torsion ( 0.274, -0.031, 0.167) ( 0.274, -0.031, 0.167) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.531, -2.539, -2.875) ( 2.532, -2.539, -2.875) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 30 ( -0.010, 0.057, 0.047) ( -0.010, 0.062, 0.047) ( 0.00, 0.03, 0.00) bond ( -0.177, 0.738, -0.096) ( -0.177, 0.743, -0.096) ( 0.01, 0.36, 0.00) angle ( 8.417, 3.317, 10.163) ( 8.417, 3.317, 10.163) ( 0.00, 0.00, 0.00) strbnd ( 0.382, -1.272, 0.256) ( 0.382, -1.272, 0.256) ( 0.00, 0.00, 0.00) torsion ( 0.882, 0.111, -0.766) ( 0.882, 0.111, -0.766) ( 0.01, 0.00, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.106, 0.075, 0.091) ( 0.106, 0.075, 0.091) ( 0.00, 0.00, 0.00) electro ( -9.620, -2.911, -9.600) ( -9.620, -2.911, -9.600) ( 0.00, 0.00, 0.00) 31 ( -0.560, 0.014, 0.551) ( -0.085, 0.116, 0.170) (26.59, 0.14, 20.99) bond ( -0.691, -2.922, -1.578) ( -0.691, -2.915, -1.576) ( 0.03, 0.24, 0.13) angle (-11.279, 8.740, -11.218) (-11.279, 8.740, -11.218) ( 0.00, 0.00, 0.00) strbnd ( -0.400, 0.562, -0.346) ( -0.400, 0.562, -0.346) ( 0.00, 0.01, 0.00) torsion ( -0.438, -0.113, 0.402) ( -0.438, -0.113, 0.402) ( 0.00, 0.00, 0.00) oop ( -2.089, -0.433, 1.715) ( -1.615, -0.338, 1.332) (22.71, 4.11, 22.34) vdw ( 1.193, -3.724, 0.966) ( 1.193, -3.724, 0.966) ( 0.00, 0.00, 0.00) electro ( 13.145, -2.096, 10.610) ( 13.145, -2.096, 10.610) ( 0.00, 0.00, 0.00) ok 32 # gradients ok 33 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( -0.009, 0.002, -0.005) ( -0.001, 0.005, 0.001) ( 0.01, 0.00, 0.00) bond ( 9.838, -1.834, 0.007) ( 9.844, -1.832, 0.011) ( 0.07, 0.10, 0.00) angle ( 6.646, -1.255, -0.018) ( 6.648, -1.254, -0.017) ( 0.03, 0.05, 0.00) strbnd ( -3.095, 0.579, 0.001) ( -3.095, 0.579, 0.001) ( 0.00, 0.00, 0.00) torsion ( 0.001, 0.001, -0.002) ( 0.001, 0.002, -0.002) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.001, -0.001) ( 0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) vdw (-12.705, 2.379, 0.009) (-12.705, 2.379, 0.009) ( 0.00, 0.00, 0.00) electro ( -0.694, 0.130, 0.001) ( -0.694, 0.130, 0.001) ( 0.00, 0.00, 0.00) 2 ( -0.094, -0.071, -0.108) ( -0.084, -0.054, -0.110) ( 0.09, 0.12, 0.02) bond ( 15.243, -7.110, -6.312) ( 15.248, -7.108, -6.308) ( 0.04, 0.03, 0.07) angle ( -4.881, -0.262, -1.754) ( -4.879, -0.261, -1.753) ( 0.04, 0.02, 0.09) strbnd ( -1.609, 1.725, 2.154) ( -1.609, 1.725, 2.154) ( 0.01, 0.00, 0.01) torsion ( 0.015, 0.078, -0.054) ( 0.015, 0.079, -0.054) ( 0.00, 0.01, 0.00) oop ( -0.015, -0.078, 0.052) ( -0.012, -0.066, 0.044) ( 0.00, 0.10, 0.04) vdw ( -8.822, 6.095, 6.582) ( -8.822, 6.095, 6.582) ( 0.00, 0.00, 0.00) electro ( -0.025, -0.518, -0.776) ( -0.025, -0.518, -0.776) ( 0.00, 0.00, 0.00) 3 ( 0.182, -0.012, -0.057) ( 0.183, -0.039, -0.032) ( 0.02, 0.03, 0.15) bond ( 0.609, -8.879, -13.408) ( 0.614, -8.877, -13.405) ( 0.30, 0.02, 0.03) angle ( -7.772, 3.135, 2.969) ( -7.770, 3.136, 2.970) ( 0.02, 0.03, 0.05) strbnd ( 2.453, -0.620, -0.234) ( 2.453, -0.620, -0.235) ( 0.01, 0.01, 0.01) torsion ( -0.243, 0.162, 0.098) ( -0.243, 0.163, 0.098) ( 0.00, 0.01, 0.00) oop ( 0.034, 0.181, -0.121) ( 0.028, 0.151, -0.101) ( 0.02, 0.55, 0.25) vdw ( 4.751, 6.373, 11.116) ( 4.751, 6.373, 11.116) ( 0.00, 0.00, 0.00) electro ( 0.350, -0.364, -0.476) ( 0.350, -0.364, -0.476) ( 0.00, 0.00, 0.00) 4 ( -0.195, 0.032, 0.015) ( -0.188, 0.037, 0.020) ( 0.13, 0.02, 0.01) bond ( -7.919, 1.496, 0.029) ( -7.915, 1.498, 0.032) ( 0.06, 0.11, 0.01) angle ( 7.321, -1.377, -0.013) ( 7.323, -1.376, -0.012) ( 0.03, 0.07, 0.00) strbnd ( -7.154, 1.339, 0.000) ( -7.155, 1.339, 0.000) ( 0.00, 0.00, 0.00) torsion ( -0.002, -0.005, 0.001) ( -0.002, -0.004, 0.002) ( 0.00, 0.00, 0.00) oop ( -0.001, -0.007, 0.004) ( -0.001, -0.005, 0.003) ( 0.00, 0.00, 0.00) vdw ( 7.561, -1.415, -0.006) ( 7.562, -1.415, -0.006) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 5 ( 0.098, -0.057, -0.028) ( 0.109, -0.026, -0.041) ( 0.11, 0.18, 0.04) bond ( 3.740, 8.034, 13.340) ( 3.745, 8.036, 13.343) ( 0.13, 0.02, 0.03) angle ( -8.410, -0.116, -2.962) ( -8.408, -0.115, -2.960) ( 0.02, 0.01, 0.05) strbnd ( 2.516, -0.308, 0.233) ( 2.515, -0.309, 0.233) ( 0.01, 0.00, 0.01) torsion ( -0.284, -0.056, -0.104) ( -0.284, -0.055, -0.103) ( 0.00, 0.00, 0.00) oop ( -0.031, -0.165, 0.109) ( -0.025, -0.137, 0.091) ( 0.02, 0.46, 0.20) vdw ( 2.108, -7.659, -11.120) ( 2.108, -7.659, -11.120) ( 0.00, 0.00, 0.00) electro ( 0.459, 0.213, 0.476) ( 0.459, 0.213, 0.476) ( 0.00, 0.00, 0.00) 6 ( -0.017, 0.039, 0.055) ( -0.012, 0.031, 0.069) ( 0.01, 0.03, 0.08) bond ( 16.822, 1.066, 6.232) ( 16.827, 1.068, 6.236) ( 0.03, 0.19, 0.07) angle ( -4.438, 2.007, 1.762) ( -4.436, 2.007, 1.763) ( 0.05, 0.03, 0.09) strbnd ( -2.127, -1.024, -2.150) ( -2.127, -1.024, -2.150) ( 0.01, 0.00, 0.01) torsion ( -0.016, -0.084, 0.056) ( -0.016, -0.083, 0.056) ( 0.00, 0.01, 0.00) oop ( 0.013, 0.071, -0.048) ( 0.011, 0.060, -0.040) ( 0.00, 0.08, 0.04) vdw (-10.436, -2.488, -6.572) (-10.436, -2.488, -6.572) ( 0.00, 0.00, 0.00) electro ( 0.165, 0.492, 0.776) ( 0.165, 0.492, 0.776) ( 0.00, 0.00, 0.00) 7 ( 0.083, 0.029, -0.027) ( 0.090, 0.034, -0.024) ( 0.06, 0.02, 0.01) bond ( -5.715, 1.120, -0.030) ( -5.710, 1.124, -0.028) ( 0.08, 0.35, 0.00) angle ( -3.925, 0.733, 0.006) ( -3.923, 0.734, 0.007) ( 0.05, 0.10, 0.00) strbnd ( 10.212, -1.917, -0.002) ( 10.212, -1.917, -0.002) ( 0.00, 0.01, 0.00) torsion ( -0.000, -0.001, 0.000) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.489, 0.094, -0.002) ( -0.488, 0.094, -0.002) ( 0.01, 0.00, 0.00) electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 8 ( -0.096, 0.024, -0.020) ( -0.089, 0.030, -0.017) ( 0.07, 0.01, 0.01) bond ( -3.483, -12.638, 7.907) ( -3.478, -12.633, 7.908) ( 0.16, 0.03, 0.02) angle ( 3.798, 0.832, -0.921) ( 3.800, 0.834, -0.921) ( 0.04, 0.11, 0.04) strbnd ( 1.060, -1.300, 0.656) ( 1.060, -1.300, 0.656) ( 0.02, 0.01, 0.00) torsion ( 0.019, 0.099, 0.166) ( 0.019, 0.099, 0.167) ( 0.00, 0.00, 0.02) oop ( -0.000, -0.001, -0.002) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) vdw ( -1.505, 14.542, -8.739) ( -1.505, 14.542, -8.739) ( 0.01, 0.00, 0.00) electro ( 0.016, -1.510, 0.914) ( 0.016, -1.510, 0.914) ( 0.00, 0.00, 0.00) 9 ( -0.010, -0.087, 0.031) ( -0.003, -0.081, 0.034) ( 0.01, 0.05, 0.01) bond ( -2.492, -7.482, 4.725) ( -2.486, -7.478, 4.727) ( 0.23, 0.05, 0.03) angle ( -4.105, -3.933, 2.798) ( -4.103, -3.931, 2.798) ( 0.04, 0.03, 0.02) strbnd ( -4.222, 0.031, 0.453) ( -4.222, 0.031, 0.453) ( 0.01, 0.00, 0.00) torsion ( -0.000, -0.003, -0.005) ( -0.000, -0.003, -0.004) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) vdw ( 10.835, 10.954, -7.728) ( 10.835, 10.954, -7.728) ( 0.00, 0.00, 0.00) electro ( -0.025, 0.347, -0.209) ( -0.025, 0.347, -0.209) ( 0.00, 0.00, 0.00) 10 ( -0.018, -0.003, 0.005) ( -0.014, 0.002, 0.008) ( 0.01, 0.00, 0.00) bond (-13.181, 2.472, 0.003) (-13.178, 2.476, 0.004) ( 0.02, 0.16, 0.00) angle ( 8.282, -1.555, -0.003) ( 8.284, -1.555, -0.003) ( 0.02, 0.02, 0.00) strbnd ( 0.147, -0.037, 0.005) ( 0.147, -0.037, 0.006) ( 0.00, 0.00, 0.00) torsion ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) vdw ( 8.264, -1.546, -0.006) ( 8.265, -1.546, -0.006) ( 0.00, 0.00, 0.00) electro ( -3.532, 0.661, 0.003) ( -3.532, 0.661, 0.003) ( 0.00, 0.00, 0.00) 11 ( -0.084, 0.070, -0.048) ( -0.077, 0.076, -0.045) ( 0.06, 0.04, 0.02) bond ( 0.276, 7.851, -4.706) ( 0.282, 7.855, -4.705) ( 0.16, 0.05, 0.03) angle ( -2.425, 5.161, -2.800) ( -2.424, 5.163, -2.800) ( 0.07, 0.03, 0.02) strbnd ( -3.937, 1.510, -0.456) ( -3.938, 1.510, -0.456) ( 0.01, 0.01, 0.00) torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.006) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) vdw ( 6.153, -14.132, 7.716) ( 6.153, -14.132, 7.716) ( 0.00, 0.00, 0.00) electro ( -0.149, -0.315, 0.209) ( -0.149, -0.315, 0.209) ( 0.00, 0.00, 0.00) 12 ( 0.047, -0.083, 0.059) ( 0.054, -0.077, 0.061) ( 0.03, 0.04, 0.02) bond ( 1.440, 12.965, -7.881) ( 1.446, 12.969, -7.880) ( 0.38, 0.03, 0.02) angle ( 3.262, -2.172, 0.925) ( 3.264, -2.171, 0.925) ( 0.05, 0.06, 0.04) strbnd ( 1.447, 0.834, -0.660) ( 1.447, 0.834, -0.660) ( 0.01, 0.01, 0.00) torsion ( -0.018, -0.096, -0.161) ( -0.018, -0.095, -0.160) ( 0.00, 0.00, 0.01) oop ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) vdw ( -6.645, -13.018, 8.747) ( -6.645, -13.018, 8.747) ( 0.00, 0.00, 0.00) electro ( 0.560, 1.403, -0.914) ( 0.560, 1.402, -0.914) ( 0.00, 0.00, 0.00) 13 ( 0.014, 0.029, -0.012) ( 0.016, 0.031, -0.010) ( 0.00, 0.01, 0.00) bond ( 0.532, 0.585, -0.410) ( 0.533, 0.587, -0.409) ( 0.07, 0.10, 0.03) angle ( -1.375, 0.959, -0.417) ( -1.375, 0.959, -0.417) ( 0.03, 0.02, 0.00) strbnd ( -0.291, 0.302, -0.147) ( -0.291, 0.302, -0.147) ( 0.00, 0.00, 0.00) torsion ( -0.002, -0.013, -0.021) ( -0.002, -0.012, -0.021) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.001, -0.001) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) vdw ( 0.782, -2.146, 1.210) ( 0.782, -2.146, 1.210) ( 0.00, 0.00, 0.00) electro ( 0.369, 0.342, -0.225) ( 0.369, 0.342, -0.225) ( 0.00, 0.00, 0.00) 14 ( 0.014, -0.025, 0.027) ( 0.015, -0.022, 0.028) ( 0.00, 0.01, 0.00) bond ( -0.713, 1.410, -0.761) ( -0.713, 1.412, -0.760) ( 0.04, 0.17, 0.05) angle ( -1.054, -0.355, 0.329) ( -1.053, -0.355, 0.329) ( 0.06, 0.00, 0.00) strbnd ( 0.385, 0.200, -0.162) ( 0.385, 0.200, -0.162) ( 0.00, 0.00, 0.00) torsion ( 0.001, 0.005, 0.009) ( 0.001, 0.006, 0.009) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.575, -0.404, 0.175) ( 0.575, -0.404, 0.175) ( 0.00, 0.00, 0.00) electro ( 0.821, -0.881, 0.436) ( 0.821, -0.881, 0.436) ( 0.00, 0.00, 0.00) 15 ( -0.046, -0.018, 0.011) ( -0.038, -0.002, 0.010) ( 0.03, 0.03, 0.00) bond ( -7.125, -4.896, -9.263) ( -7.121, -4.892, -9.259) ( 0.06, 0.09, 0.05) angle ( 6.393, 2.270, 5.666) ( 6.394, 2.272, 5.667) ( 0.03, 0.07, 0.03) strbnd ( 0.273, -0.725, -1.181) ( 0.272, -0.726, -1.182) ( 0.02, 0.04, 0.08) torsion ( 1.289, -0.354, -0.774) ( 1.289, -0.353, -0.774) ( 0.00, 0.00, 0.00) oop ( -0.010, -0.056, 0.038) ( -0.009, -0.047, 0.031) ( 0.00, 0.05, 0.02) vdw ( -0.361, 3.610, 5.432) ( -0.361, 3.610, 5.432) ( 0.00, 0.00, 0.00) electro ( -0.503, 0.134, 0.095) ( -0.503, 0.134, 0.095) ( 0.00, 0.00, 0.00) 16 ( 0.036, -0.004, 0.009) ( 0.041, -0.003, 0.010) ( 0.02, 0.00, 0.00) bond ( -1.105, 0.206, 0.001) ( -1.100, 0.206, 0.001) ( 0.41, 0.00, 0.00) angle ( 0.001, 0.005, 0.007) ( 0.001, 0.005, 0.007) ( 0.00, 0.00, 0.00) strbnd ( 3.048, -0.570, -0.001) ( 3.048, -0.570, -0.001) ( 0.00, 0.00, 0.00) torsion ( -0.000, -0.001, 0.001) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.001, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.498, 0.093, 0.000) ( -0.498, 0.093, 0.001) ( 0.00, 0.00, 0.00) electro ( -1.410, 0.264, 0.001) ( -1.410, 0.264, 0.001) ( 0.00, 0.00, 0.00) 17 ( -0.037, 0.047, 0.071) ( -0.035, 0.047, 0.074) ( 0.01, 0.00, 0.02) bond ( -0.132, 0.174, 0.223) ( -0.131, 0.175, 0.225) ( 0.01, 0.03, 0.05) angle ( 1.479, 0.192, 0.711) ( 1.480, 0.192, 0.711) ( 0.05, 0.00, 0.01) strbnd ( 1.315, -1.062, -1.217) ( 1.315, -1.062, -1.217) ( 0.00, 0.00, 0.00) torsion ( -0.011, -0.057, 0.038) ( -0.011, -0.057, 0.038) ( 0.00, 0.00, 0.00) oop ( 0.001, 0.006, -0.004) ( 0.001, 0.005, -0.003) ( 0.00, 0.00, 0.00) vdw ( -4.211, 0.450, -0.614) ( -4.210, 0.450, -0.614) ( 0.00, 0.00, 0.00) electro ( 1.521, 0.344, 0.934) ( 1.521, 0.344, 0.934) ( 0.00, 0.00, 0.00) 18 ( -0.041, 0.022, 0.048) ( -0.037, 0.019, 0.060) ( 0.02, 0.01, 0.05) bond ( -4.885, 7.159, 9.319) ( -4.880, 7.163, 9.323) ( 0.09, 0.06, 0.05) angle ( 5.152, -4.463, -5.651) ( 5.154, -4.462, -5.649) ( 0.04, 0.03, 0.03) strbnd ( 0.516, 0.583, 1.171) ( 0.515, 0.582, 1.170) ( 0.03, 0.04, 0.08) torsion ( 1.334, -0.130, 0.768) ( 1.334, -0.130, 0.768) ( 0.00, 0.00, 0.00) oop ( 0.010, 0.051, -0.034) ( 0.008, 0.042, -0.028) ( 0.00, 0.04, 0.02) vdw ( -1.650, -3.234, -5.431) ( -1.650, -3.234, -5.431) ( 0.01, 0.00, 0.00) electro ( -0.518, 0.057, -0.094) ( -0.518, 0.057, -0.094) ( 0.00, 0.00, 0.00) 19 ( -0.026, -0.013, -0.044) ( -0.024, -0.011, -0.042) ( 0.01, 0.00, 0.01) bond ( -0.161, -0.100, -0.195) ( -0.159, -0.099, -0.193) ( 0.03, 0.01, 0.05) angle ( 1.304, -0.712, -0.711) ( 1.305, -0.712, -0.711) ( 0.04, 0.01, 0.01) strbnd ( 1.615, 0.513, 1.214) ( 1.615, 0.513, 1.214) ( 0.00, 0.00, 0.00) torsion ( 0.011, 0.057, -0.038) ( 0.011, 0.058, -0.038) ( 0.00, 0.00, 0.00) oop ( -0.001, -0.006, 0.004) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) vdw ( -4.086, 1.106, 0.619) ( -4.086, 1.106, 0.619) ( 0.00, 0.00, 0.00) electro ( 1.292, -0.870, -0.936) ( 1.292, -0.870, -0.936) ( 0.00, 0.00, 0.00) 20 ( 0.018, -0.043, 0.008) ( 0.019, -0.041, 0.009) ( 0.00, 0.01, 0.00) bond ( 0.288, -0.750, 0.412) ( 0.289, -0.747, 0.413) ( 0.01, 0.20, 0.03) angle ( -1.609, -0.393, 0.414) ( -1.608, -0.393, 0.414) ( 0.04, 0.00, 0.00) strbnd ( -0.388, -0.178, 0.149) ( -0.388, -0.178, 0.149) ( 0.00, 0.00, 0.00) torsion ( 0.002, 0.011, 0.019) ( 0.002, 0.011, 0.019) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) vdw ( 1.503, 1.719, -1.212) ( 1.503, 1.719, -1.212) ( 0.00, 0.00, 0.00) electro ( 0.221, -0.453, 0.225) ( 0.221, -0.453, 0.225) ( 0.00, 0.00, 0.00) 21 ( 0.039, 0.039, -0.040) ( 0.041, 0.040, -0.039) ( 0.01, 0.01, 0.00) bond ( -1.156, -1.042, 0.748) ( -1.154, -1.041, 0.749) ( 0.15, 0.13, 0.05) angle ( -0.862, 0.717, -0.330) ( -0.861, 0.717, -0.330) ( 0.04, 0.02, 0.00) strbnd ( 0.292, -0.327, 0.162) ( 0.292, -0.327, 0.162) ( 0.00, 0.00, 0.00) torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.007) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) vdw ( 0.682, 0.169, -0.176) ( 0.682, 0.169, -0.176) ( 0.00, 0.00, 0.00) electro ( 1.083, 0.525, -0.437) ( 1.083, 0.525, -0.437) ( 0.00, 0.00, 0.00) 22 ( -0.002, -0.011, 0.010) ( -0.001, -0.009, 0.011) ( 0.00, 0.00, 0.00) bond ( -0.526, 0.784, -0.542) ( -0.525, 0.786, -0.541) ( 0.04, 0.14, 0.05) angle ( 1.195, -1.233, -2.949) ( 1.195, -1.233, -2.949) ( 0.03, 0.02, 0.01) strbnd ( -0.255, -0.588, -0.393) ( -0.255, -0.588, -0.393) ( 0.00, 0.00, 0.00) torsion ( -0.565, -0.064, 0.455) ( -0.565, -0.064, 0.455) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.149, 1.091, 3.440) ( 0.149, 1.091, 3.440) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 23 ( -0.002, -0.011, 0.000) ( -0.001, -0.010, 0.001) ( 0.00, 0.00, 0.00) bond ( -0.710, -0.703, 0.394) ( -0.709, -0.701, 0.395) ( 0.11, 0.10, 0.02) angle ( 0.978, -1.990, -1.779) ( 0.979, -1.990, -1.778) ( 0.03, 0.01, 0.03) strbnd ( -0.228, -0.099, -0.703) ( -0.228, -0.099, -0.703) ( 0.00, 0.00, 0.00) torsion ( -0.442, 0.487, 0.072) ( -0.442, 0.487, 0.072) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 0.399, 2.293, 2.016) ( 0.399, 2.293, 2.016) ( 0.00, 0.00, 0.00) electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 24 ( 0.016, 0.004, -0.000) ( 0.017, 0.005, 0.001) ( 0.00, 0.00, 0.00) bond ( 0.712, -0.619, -0.845) ( 0.713, -0.618, -0.844) ( 0.08, 0.05, 0.13) angle ( -4.410, -0.925, -3.048) ( -4.410, -0.925, -3.048) ( 0.01, 0.03, 0.01) strbnd ( -0.899, 0.082, -0.052) ( -0.899, 0.082, -0.052) ( 0.00, 0.00, 0.00) torsion ( -0.011, -0.086, 0.054) ( -0.011, -0.086, 0.054) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 4.624, 1.552, 3.891) ( 4.624, 1.552, 3.891) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 25 ( 0.015, 0.029, -0.030) ( 0.017, 0.030, -0.029) ( 0.00, 0.00, 0.00) bond ( -0.752, -0.529, 0.528) ( -0.750, -0.529, 0.529) ( 0.13, 0.05, 0.04) angle ( 1.555, 0.717, 2.924) ( 1.555, 0.718, 2.924) ( 0.02, 0.03, 0.01) strbnd ( -0.027, 0.641, 0.396) ( -0.027, 0.641, 0.396) ( 0.00, 0.00, 0.00) torsion ( -0.505, 0.263, -0.453) ( -0.505, 0.263, -0.453) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.257, -1.063, -3.425) ( -0.257, -1.063, -3.425) ( 0.00, 0.00, 0.00) electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 26 ( -0.016, -0.001, -0.020) ( -0.014, -0.000, -0.018) ( 0.00, 0.00, 0.00) bond ( 0.867, 0.313, 0.819) ( 0.869, 0.313, 0.821) ( 0.15, 0.01, 0.12) angle ( -3.775, 2.481, 3.047) ( -3.775, 2.482, 3.047) ( 0.01, 0.02, 0.01) strbnd ( -0.869, 0.249, 0.057) ( -0.869, 0.249, 0.057) ( 0.00, 0.00, 0.00) torsion ( 0.019, 0.079, -0.051) ( 0.019, 0.079, -0.051) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 3.742, -3.123, -3.893) ( 3.742, -3.123, -3.893) ( 0.00, 0.00, 0.00) electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 27 ( 0.012, -0.017, 0.007) ( 0.013, -0.015, 0.008) ( 0.00, 0.00, 0.00) bond ( -0.401, 0.886, -0.386) ( -0.401, 0.889, -0.385) ( 0.02, 0.22, 0.02) angle ( 1.642, 1.513, 1.782) ( 1.642, 1.513, 1.783) ( 0.02, 0.01, 0.03) strbnd ( -0.174, 0.171, 0.708) ( -0.174, 0.170, 0.708) ( 0.00, 0.00, 0.00) torsion ( -0.590, -0.296, -0.070) ( -0.590, -0.296, -0.070) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -0.465, -2.291, -2.028) ( -0.465, -2.291, -2.028) ( 0.00, 0.00, 0.00) electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) ok 34 # gradients ok 35 # energy ---------------------------------------------------------------------------------------- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) ---------------------------------------------------------------------------------------- 1 ( 40.017, -0.918, 27.693) ( 40.022, -0.916, 27.698) ( 0.01, 0.21, 0.02) bond ( 17.093, 4.746, 20.403) ( 17.097, 4.747, 20.407) ( 0.02, 0.02, 0.02) angle ( 10.823, -6.670, -7.661) ( 10.824, -6.668, -7.659) ( 0.02, 0.03, 0.02) strbnd ( -1.302, -1.496, -3.384) ( -1.303, -1.496, -3.384) ( 0.04, 0.04, 0.02) torsion ( -0.752, -0.481, -0.404) ( -0.752, -0.481, -0.404) ( 0.01, 0.01, 0.00) oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 2.697, 3.940, 6.118) ( 2.697, 3.940, 6.118) ( 0.00, 0.00, 0.00) electro ( 11.458, -0.958, 12.621) ( 11.458, -0.958, 12.621) ( 0.00, 0.00, 0.00) 2 (-31.059, 8.802, 24.651) (-31.053, 8.807, 24.657) ( 0.02, 0.06, 0.02) bond (-27.113, -0.560, 3.022) (-27.109, -0.556, 3.026) ( 0.02, 0.22, 0.12) angle (-10.986, 1.327, 1.389) (-10.984, 1.329, 1.391) ( 0.02, 0.14, 0.17) strbnd ( 6.026, 1.292, 2.785) ( 6.025, 1.291, 2.784) ( 0.02, 0.04, 0.03) torsion ( 0.387, 2.102, 1.063) ( 0.387, 2.103, 1.063) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.974, -1.076, 6.259) ( -5.974, -1.076, 6.260) ( 0.00, 0.00, 0.00) electro ( 6.602, 5.716, 10.133) ( 6.602, 5.716, 10.133) ( 0.00, 0.00, 0.00) 3 (-13.765, -13.920, 11.801) (-13.759, -13.915, 11.806) ( 0.04, 0.04, 0.04) bond ( -2.739, -3.315, 12.969) ( -2.735, -3.311, 12.974) ( 0.14, 0.12, 0.03) angle ( 0.437, -11.359, -0.705) ( 0.439, -11.357, -0.703) ( 0.09, 0.02, 0.14) strbnd ( 1.387, 2.155, -8.533) ( 1.387, 2.154, -8.535) ( 0.02, 0.03, 0.02) torsion ( -2.416, 1.078, 0.854) ( -2.416, 1.078, 0.855) ( 0.00, 0.01, 0.00) oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -6.807, -1.527, 6.510) ( -6.807, -1.527, 6.510) ( 0.00, 0.00, 0.00) electro ( -3.627, -0.951, 0.706) ( -3.627, -0.951, 0.706) ( 0.00, 0.00, 0.00) 4 (-10.095, 5.283, -11.576) (-10.089, 5.286, -11.570) ( 0.05, 0.05, 0.05) bond ( 0.949, -2.282, 0.268) ( 0.953, -2.280, 0.273) ( 0.43, 0.06, 0.13) angle ( 0.591, 21.684, 6.844) ( 0.593, 21.686, 6.845) ( 0.09, 0.01, 0.02) strbnd ( 1.406, -5.851, -0.013) ( 1.406, -5.852, -0.014) ( 0.04, 0.01, 0.00) torsion ( 0.184, -1.989, -0.339) ( 0.185, -1.989, -0.339) ( 0.00, 0.01, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -5.463, -3.294, -7.182) ( -5.463, -3.294, -7.182) ( 0.00, 0.00, 0.00) electro ( -7.762, -2.986, -11.154) ( -7.762, -2.986, -11.154) ( 0.00, 0.00, 0.00) 5 ( 15.784, -6.823, -14.411) ( 15.790, -6.817, -14.405) ( 0.03, 0.08, 0.04) bond ( 13.334, 0.629, -1.309) ( 13.339, 0.633, -1.305) ( 0.04, 0.25, 0.29) angle ( 2.816, -10.985, -2.204) ( 2.818, -10.983, -2.202) ( 0.07, 0.02, 0.10) strbnd ( -8.882, -0.451, 0.327) ( -8.883, -0.452, 0.326) ( 0.02, 0.02, 0.01) torsion ( 0.798, 1.843, -1.911) ( 0.798, 1.843, -1.911) ( 0.00, 0.01, 0.01) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.392, 1.990, -5.711) ( 7.392, 1.990, -5.711) ( 0.00, 0.00, 0.00) electro ( 0.327, 0.152, -3.602) ( 0.327, 0.152, -3.602) ( 0.00, 0.00, 0.00) 6 ( 23.240, 20.461, -25.217) ( 23.246, 20.467, -25.212) ( 0.03, 0.03, 0.02) bond ( 5.775, 7.666, -25.091) ( 5.778, 7.670, -25.086) ( 0.07, 0.05, 0.02) angle ( 1.263, 4.370, -10.670) ( 1.265, 4.372, -10.668) ( 0.18, 0.05, 0.02) strbnd ( 1.829, 0.313, 6.376) ( 1.828, 0.312, 6.375) ( 0.03, 0.02, 0.02) torsion ( 2.320, 0.305, 0.903) ( 2.321, 0.305, 0.903) ( 0.00, 0.00, 0.00) oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 7.013, 1.540, -5.601) ( 7.013, 1.540, -5.601) ( 0.00, 0.00, 0.00) electro ( 5.041, 6.267, 8.866) ( 5.041, 6.267, 8.865) ( 0.00, 0.00, 0.00) 7 ( -5.321, -8.169, -8.288) ( -5.316, -8.164, -8.283) ( 0.11, 0.07, 0.07) bond ( -5.766, -6.148, -8.390) ( -5.762, -6.144, -8.385) ( 0.07, 0.07, 0.05) angle ( -0.655, -5.211, -2.282) ( -0.653, -5.209, -2.280) ( 0.12, 0.03, 0.08) strbnd ( 5.025, 4.822, 7.145) ( 5.024, 4.821, 7.144) ( 0.01, 0.02, 0.01) torsion ( 0.524, -0.894, 0.352) ( 0.524, -0.894, 0.352) ( 0.00, 0.01, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -4.384, -0.621, -5.255) ( -4.383, -0.621, -5.255) ( 0.00, 0.00, 0.00) electro ( -0.066, -0.117, 0.141) ( -0.066, -0.117, 0.141) ( 0.00, 0.00, 0.00) 8 ( -6.827, 14.475, 22.925) ( -6.821, 14.475, 22.975) ( 0.08, 0.00, 0.22) bond ( 11.385, -12.341, -10.198) ( 11.388, -12.332, -10.191) ( 0.03, 0.07, 0.07) angle (-32.172, 28.633, 36.543) (-32.169, 28.635, 36.546) ( 0.01, 0.01, 0.01) strbnd ( 23.556, -6.610, -5.451) ( 23.555, -6.611, -5.452) ( 0.00, 0.02, 0.02) torsion ( 0.338, -1.851, 0.344) ( 0.338, -1.851, 0.344) ( 0.00, 0.00, 0.00) oop ( -0.005, 0.056, -0.231) ( -0.004, 0.046, -0.190) ( 0.00, 0.06, 0.96) vdw ( 1.478, 1.254, 4.534) ( 1.478, 1.254, 4.535) ( 0.01, 0.00, 0.00) electro (-11.406, 5.334, -2.617) (-11.406, 5.334, -2.617) ( 0.00, 0.00, 0.00) 9 ( 5.719, -19.054, -11.028) ( 5.721, -19.052, -11.021) ( 0.03, 0.01, 0.06) bond ( 1.485, 1.600, -4.386) ( 1.486, 1.600, -4.380) ( 0.05, 0.05, 0.14) angle ( 5.763, -17.078, -4.285) ( 5.764, -17.078, -4.285) ( 0.01, 0.00, 0.00) strbnd ( -0.447, -2.536, 3.420) ( -0.447, -2.536, 3.420) ( 0.00, 0.00, 0.00) torsion ( 0.480, 0.079, 0.191) ( 0.480, 0.079, 0.191) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( 1.856, 0.959, 2.952) ( 1.856, 0.959, 2.952) ( 0.00, 0.00, 0.00) electro ( -3.417, -2.078, -8.920) ( -3.417, -2.078, -8.920) ( 0.00, 0.00, 0.00) 10 ( 10.482, -6.063, -18.767) ( 10.483, -6.056, -18.766) ( 0.01, 0.12, 0.01) bond ( 0.309, -3.128, 0.485) ( 0.309, -3.121, 0.485) ( 0.00, 0.24, 0.01) angle ( 15.756, -0.811, -15.260) ( 15.757, -0.811, -15.259) ( 0.00, 0.00, 0.01) strbnd ( 0.664, 2.939, -1.490) ( 0.664, 2.939, -1.490) ( 0.00, 0.00, 0.00) torsion ( -1.106, -0.157, -0.307) ( -1.106, -0.157, -0.307) ( 0.00, 0.00, 0.00) oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) vdw ( -2.387, 3.365, 2.847) ( -2.387, 3.365, 2.847) ( 0.00, 0.00, 0.00) electro ( -2.755, -8.271, -5.043) ( -2.755, -8.271, -5.043) ( 0.00, 0.00, 0.00) 11 (-10.638, -8.900, -5.709) (-10.635, -8.866, -5.820) ( 0.03, 0.38, 1.94) bond ( -6.709, 1.922, 1.059) ( -6.705, 1.927, 1.060) ( 0.06, 0.26, 0.04) angle ( 24.355, -15.184, -15.338) ( 24.357, -15.182, -15.338) ( 0.01, 0.01, 0.00) strbnd (-18.936, 1.986, 0.297) (-18.936, 1.986, 0.297) ( 0.00, 0.00, 0.00) torsion ( 0.305, -0.296, 4.647) ( 0.305, -0.296, 4.648) ( 0.00, 0.00, 0.02) oop ( 0.009, -0.160, 0.679) ( 0.007, -0.133, 0.566) ( 0.00, 0.43, 7.65) vdw ( -9.578, 2.904, 3.010) ( -9.577, 2.904, 3.010) ( 0.00, 0.00, 0.00) electro ( -0.085, -0.071, -0.064) ( -0.085, -0.071, -0.064) ( 0.00, 0.00, 0.00) 12 (-21.260, -0.793, -2.235) (-21.252, -0.800, -2.173) ( 0.04, 0.56, 2.79) 252: strbnd ( 0.261, 0.641, 0.904) ( 0.261, 0.642, 0.904) ( 0.00, 0.00, 0.00) 252: torsion ( 1.156, -0.106, -0.183) ( 1.156, -0.106, -0.183) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.770, -0.362, -4.129) ( -5.770, -0.362, -4.129) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 63 ( -1.163, 0.855, -0.571) ( -1.161, 0.856, -0.570) ( 0.16, 0.08, 0.09) 252: bond ( -1.786, 1.024, 1.583) ( -1.785, 1.024, 1.584) ( 0.09, 0.05, 0.08) 252: angle ( 0.428, -0.094, 0.542) ( 0.428, -0.094, 0.543) ( 0.01, 0.00, 0.02) 252: strbnd ( 0.673, -0.673, 0.446) ( 0.673, -0.673, 0.446) ( 0.00, 0.00, 0.00) 252: torsion ( -0.227, -0.276, -0.077) ( -0.227, -0.276, -0.077) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.250, 0.874, -3.065) ( -0.250, 0.874, -3.065) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 64 ( 0.790, -0.989, 0.790) ( 0.793, -0.989, 0.791) ( 0.25, 0.06, 0.06) 252: bond ( 0.666, 0.107, -0.162) ( 0.670, 0.108, -0.162) ( 0.21, 0.00, 0.00) 252: angle ( -0.821, -2.989, -5.388) ( -0.821, -2.989, -5.387) ( 0.00, 0.02, 0.01) 252: strbnd ( -1.303, -0.763, -0.758) ( -1.303, -0.763, -0.758) ( 0.00, 0.00, 0.00) 252: torsion ( 0.159, -0.563, 0.283) ( 0.159, -0.563, 0.283) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.089, 3.218, 6.815) ( 2.089, 3.218, 6.815) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 65 ( 1.612, 1.583, -0.244) ( 1.613, 1.584, -0.242) ( 0.09, 0.07, 0.05) 252: bond ( -0.305, 0.226, -0.426) ( -0.304, 0.227, -0.424) ( 0.03, 0.01, 0.08) 252: angle ( 3.626, -2.262, -3.808) ( 3.626, -2.262, -3.808) ( 0.01, 0.02, 0.01) 252: strbnd ( 0.994, -1.017, -0.192) ( 0.994, -1.017, -0.192) ( 0.00, 0.00, 0.00) 252: torsion ( 0.256, 0.264, -0.043) ( 0.256, 0.264, -0.043) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.959, 4.372, 4.225) ( -2.958, 4.372, 4.225) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 66 ( -1.078, 0.552, -0.760) ( -1.078, 0.556, -0.759) ( 0.06, 0.19, 0.05) 252: bond ( 0.016, 0.113, 0.003) ( 0.016, 0.116, 0.003) ( 0.00, 0.04, 0.00) 252: angle ( 2.563, -0.264, -3.412) ( 2.563, -0.264, -3.411) ( 0.02, 0.00, 0.02) 252: strbnd ( 0.510, 0.950, -1.109) ( 0.510, 0.950, -1.109) ( 0.00, 0.00, 0.00) 252: torsion ( -0.450, 0.067, -0.151) ( -0.450, 0.067, -0.151) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.718, -0.314, 3.909) ( -3.717, -0.314, 3.909) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 67 ( 0.335, 0.250, 0.082) ( 0.336, 0.253, 0.082) ( 0.02, 0.08, 0.00) 252: bond ( 0.214, -2.095, 0.090) ( 0.214, -2.092, 0.090) ( 0.00, 0.16, 0.00) 252: angle ( 1.574, 0.246, 1.978) ( 1.575, 0.246, 1.979) ( 0.04, 0.00, 0.03) 252: strbnd ( -0.777, 1.004, 0.844) ( -0.777, 1.004, 0.844) ( 0.00, 0.00, 0.00) 252: torsion ( 0.181, -0.026, -1.050) ( 0.181, -0.026, -1.050) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.857, 1.121, -1.781) ( -0.857, 1.121, -1.781) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: angle ( -9.647, 2.693, -9.181) ( -9.647, 2.694, -9.181) ( 0.00, 0.05, 0.00) 250: strbnd ( 2.977, 2.363, 3.838) ( 2.977, 2.363, 3.837) ( 0.00, 0.00, 0.00) 250: torsion ( 0.013, 0.016, -0.011) ( 0.013, 0.016, -0.011) ( 0.00, 0.00, 0.00) 250: oop ( -1.579, -0.309, 1.374) ( -1.388, -0.270, 1.208) (12.09, 1.23, 12.08) 250: vdw ( 1.642, -3.834, 1.605) ( 1.642, -3.834, 1.605) ( 0.00, 0.00, 0.00) 250: electro ( 4.057, -0.227, -0.032) ( 4.057, -0.227, -0.032) ( 0.00, 0.00, 0.00) 250: 24 ( 0.004, 0.003, -0.053) ( 0.005, 0.004, -0.052) ( 0.00, 0.00, 0.01) 250: bond ( -1.196, 1.182, -0.827) ( -1.194, 1.183, -0.827) ( 0.12, 0.11, 0.05) 250: angle ( -1.332, -1.852, -0.728) ( -1.331, -1.852, -0.727) ( 0.02, 0.02, 0.03) 250: strbnd ( 0.241, -1.027, 0.189) ( 0.241, -1.026, 0.189) ( 0.00, 0.00, 0.00) 250: torsion ( -0.038, 0.002, 0.057) ( -0.038, 0.002, 0.057) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.329, 1.697, 1.256) ( 2.329, 1.697, 1.256) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( -0.012, -0.040, -0.043) ( -0.010, -0.039, -0.041) ( 0.00, 0.01, 0.01) 250: bond ( -1.200, -1.265, 1.435) ( -1.199, -1.264, 1.436) ( 0.08, 0.08, 0.10) 250: angle ( -2.311, -0.524, -2.391) ( -2.311, -0.524, -2.391) ( 0.01, 0.02, 0.01) 250: strbnd ( -0.046, 0.131, -0.817) ( -0.046, 0.131, -0.817) ( 0.00, 0.00, 0.00) 250: torsion ( 0.070, -0.086, -0.017) ( 0.070, -0.086, -0.017) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.476, 1.704, 1.748) ( 3.476, 1.704, 1.748) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 ( 0.017, 0.031, -0.062) ( 0.018, 0.032, -0.060) ( 0.00, 0.00, 0.01) 250: bond ( 0.799, -1.340, -1.580) ( 0.799, -1.338, -1.578) ( 0.04, 0.09, 0.11) 250: angle ( -3.338, -0.613, -1.171) ( -3.337, -0.613, -1.171) ( 0.01, 0.02, 0.02) 250: strbnd ( -0.745, 0.134, 0.227) ( -0.745, 0.134, 0.227) ( 0.00, 0.00, 0.00) 250: torsion ( 0.007, -0.067, 0.060) ( 0.007, -0.067, 0.060) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.293, 1.916, 2.401) ( 3.293, 1.916, 2.401) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 27 ( -0.029, -0.013, -0.016) ( -0.027, -0.011, -0.015) ( 0.01, 0.00, 0.00) 250: bond ( -1.391, 1.340, -0.747) ( -1.389, 1.342, -0.747) ( 0.11, 0.11, 0.03) 250: angle ( -1.015, 0.530, 2.839) ( -1.015, 0.530, 2.840) ( 0.02, 0.01, 0.02) 250: strbnd ( 0.553, -0.368, 1.021) ( 0.553, -0.368, 1.021) ( 0.00, 0.00, 0.00) 250: torsion ( -0.250, -0.232, 0.047) ( -0.250, -0.232, 0.047) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.074, -1.282, -3.176) ( 2.074, -1.282, -3.176) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 28 ( -0.034, -0.055, -0.010) ( -0.032, -0.053, -0.008) ( 0.01, 0.01, 0.00) 250: bond ( 1.317, 0.998, 0.899) ( 1.318, 0.999, 0.900) ( 0.13, 0.10, 0.07) 250: angle ( -2.910, 1.945, 2.102) ( -2.910, 1.946, 2.102) ( 0.01, 0.02, 0.02) 250: strbnd ( -0.799, 0.069, 0.229) ( -0.799, 0.069, 0.229) ( 0.00, 0.00, 0.00) 250: torsion ( -0.012, 0.069, -0.059) ( -0.012, 0.069, -0.059) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.371, -3.136, -3.182) ( 2.371, -3.135, -3.182) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 29 ( -0.014, -0.055, -0.036) ( -0.012, -0.054, -0.034) ( 0.00, 0.01, 0.01) 250: bond ( -1.198, -1.403, 1.700) ( -1.197, -1.402, 1.701) ( 0.06, 0.08, 0.09) 250: angle ( -1.824, 2.897, 1.105) ( -1.823, 2.897, 1.105) ( 0.02, 0.01, 0.02) 250: strbnd ( 0.202, 1.021, -0.133) ( 0.202, 1.021, -0.133) ( 0.00, 0.00, 0.00) 250: torsion ( 0.274, -0.031, 0.167) ( 0.274, -0.031, 0.167) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.531, -2.539, -2.875) ( 2.532, -2.539, -2.875) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 30 ( -0.010, 0.057, 0.047) ( -0.010, 0.062, 0.047) ( 0.00, 0.03, 0.00) 250: bond ( -0.177, 0.738, -0.096) ( -0.177, 0.743, -0.096) ( 0.01, 0.36, 0.00) 250: angle ( 8.417, 3.317, 10.163) ( 8.417, 3.317, 10.163) ( 0.00, 0.00, 0.00) 250: strbnd ( 0.382, -1.272, 0.256) ( 0.382, -1.272, 0.256) ( 0.00, 0.00, 0.00) 250: torsion ( 0.882, 0.111, -0.766) ( 0.882, 0.111, -0.766) ( 0.01, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.106, 0.075, 0.091) ( 0.106, 0.075, 0.091) ( 0.00, 0.00, 0.00) 250: electro ( -9.620, -2.911, -9.600) ( -9.620, -2.911, -9.600) ( 0.00, 0.00, 0.00) 250: 31 ( 0.125, 0.139, 0.019) ( 0.600, 0.242, -0.362) ( 5.95, 1.43, 0.73) 250: bond ( -0.691, -2.922, -1.578) ( -0.691, -2.915, -1.576) ( 0.03, 0.24, 0.13) 250: angle (-11.279, 8.740, -11.218) (-11.279, 8.740, -11.218) ( 0.00, 0.00, 0.00) 250: strbnd ( -0.400, 0.562, -0.346) ( -0.400, 0.562, -0.346) ( 0.00, 0.01, 0.00) 250: torsion ( 0.247, 0.012, -0.130) ( 0.247, 0.012, -0.130) ( 0.00, 0.00, 0.00) 250: oop ( -2.089, -0.433, 1.715) ( -1.615, -0.338, 1.332) (22.71, 4.11, 22.34) 250: vdw ( 1.193, -3.724, 0.966) ( 1.193, -3.724, 0.966) ( 0.00, 0.00, 0.00) 250: electro ( 13.145, -2.096, 10.610) ( 13.145, -2.096, 10.610) ( 0.00, 0.00, 0.00) 250: ok 32 # gradients 250: ok 33 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 252: 68 ( 0.121, 0.190, 0.044) ( 0.122, 0.191, 0.047) ( 0.01, 0.02, 0.01) 252: bond ( -0.946, 0.945, 2.916) ( -0.946, 0.945, 2.919) ( 0.03, 0.03, 0.09) 252: angle ( 2.086, -0.263, 0.761) ( 2.086, -0.263, 0.761) ( 0.03, 0.01, 0.01) 252: strbnd ( 0.013, -1.433, -0.930) ( 0.013, -1.433, -0.930) ( 0.00, 0.00, 0.00) 252: torsion ( 0.192, -1.114, 0.423) ( 0.192, -1.114, 0.423) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.224, 2.055, -3.126) ( -1.224, 2.055, -3.126) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 69 ( 0.670, 0.306, 0.584) ( 0.671, 0.308, 0.587) ( 0.08, 0.04, 0.14) 252: bond ( -0.089, 0.102, 0.156) ( -0.088, 0.103, 0.158) ( 0.01, 0.01, 0.03) 252: angle ( 0.439, -2.980, 2.180) ( 0.440, -2.979, 2.180) ( 0.02, 0.02, 0.01) 252: strbnd ( 0.329, 0.312, 1.723) ( 0.329, 0.312, 1.723) ( 0.00, 0.00, 0.00) 252: torsion ( 0.972, -0.601, 0.932) ( 0.972, -0.601, 0.933) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.982, 3.473, -4.407) ( -0.982, 3.473, -4.407) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 70 ( 0.106, 0.582, 0.566) ( 0.107, 0.583, 0.568) ( 0.02, 0.04, 0.13) 252: bond ( 1.818, -0.560, 2.482) ( 1.819, -0.560, 2.484) ( 0.06, 0.01, 0.08) 252: angle ( -0.401, -1.568, -0.060) ( -0.400, -1.567, -0.060) ( 0.01, 0.04, 0.00) 252: strbnd ( -0.251, -0.339, -2.165) ( -0.251, -0.339, -2.165) ( 0.00, 0.00, 0.00) 252: torsion ( -1.175, 0.745, 1.028) ( -1.175, 0.745, 1.028) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.115, 2.304, -0.719) ( 0.115, 2.304, -0.719) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 71 ( 0.738, 0.197, 0.250) ( 0.741, 0.198, 0.251) ( 0.20, 0.02, 0.02) 252: bond ( 1.848, 0.749, -0.682) ( 1.850, 0.749, -0.682) ( 0.14, 0.03, 0.02) 252: angle ( -0.676, -2.968, -5.094) ( -0.676, -2.967, -5.094) ( 0.01, 0.02, 0.01) 252: strbnd ( -1.187, -1.166, -0.503) ( -1.187, -1.166, -0.503) ( 0.00, 0.00, 0.00) 252: torsion ( 0.213, -0.324, 0.223) ( 0.213, -0.324, 0.223) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.541, 3.906, 6.307) ( 0.541, 3.906, 6.307) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 72 ( 0.699, 1.329, -0.078) ( 0.701, 1.330, -0.076) ( 0.13, 0.05, 0.02) 252: bond ( -0.821, 0.235, -0.916) ( -0.820, 0.235, -0.914) ( 0.12, 0.00, 0.17) 252: angle ( 3.757, -0.301, -3.447) ( 3.757, -0.301, -3.447) ( 0.01, 0.01, 0.01) 252: strbnd ( 1.187, -0.802, -0.115) ( 1.187, -0.802, -0.115) ( 0.00, 0.00, 0.00) 252: torsion ( -0.090, -0.149, 0.042) ( -0.090, -0.149, 0.042) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.334, 2.346, 4.357) ( -3.333, 2.346, 4.357) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 73 ( -0.259, 0.501, -0.385) ( -0.258, 0.505, -0.385) ( 0.01, 0.17, 0.02) 252: bond ( -0.024, 0.218, -0.017) ( -0.024, 0.221, -0.017) ( 0.00, 0.07, 0.00) 252: angle ( 2.747, 0.023, -3.607) ( 2.748, 0.023, -3.606) ( 0.02, 0.00, 0.02) 252: strbnd ( 0.214, 0.580, -1.173) ( 0.214, 0.580, -1.173) ( 0.00, 0.00, 0.00) 252: torsion ( -0.122, -0.015, -0.032) ( -0.122, -0.015, -0.032) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.075, -0.304, 4.442) ( -3.075, -0.304, 4.443) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 74 ( 0.137, 2.170, -1.424) ( 0.139, 2.171, -1.421) ( 0.03, 0.04, 0.25) 252: bond ( -0.028, -0.019, -0.043) ( -0.027, -0.018, -0.040) ( 0.00, 0.00, 0.01) 252: angle ( 2.217, 0.907, -1.911) ( 2.217, 0.907, -1.911) ( 0.01, 0.00, 0.01) 252: strbnd ( 0.644, 0.343, 0.113) ( 0.644, 0.343, 0.113) ( 0.01, 0.00, 0.00) 252: torsion ( -0.820, 1.602, -0.191) ( -0.820, 1.602, -0.191) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.896, -0.668, 0.650) ( -1.896, -0.668, 0.650) ( 0.00, 0.00, 0.00) 252: electro ( 0.020, 0.005, -0.042) ( 0.020, 0.005, -0.042) ( 0.00, 0.00, 0.00) 252: ok 22 # gradients 252: ok 23 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 250: 1 ( -0.009, 0.002, -0.005) ( -0.001, 0.005, 0.001) ( 0.01, 0.00, 0.00) 250: bond ( 9.838, -1.834, 0.007) ( 9.844, -1.832, 0.011) ( 0.07, 0.10, 0.00) 250: angle ( 6.646, -1.255, -0.018) ( 6.648, -1.254, -0.017) ( 0.03, 0.05, 0.00) 250: strbnd ( -3.095, 0.579, 0.001) ( -3.095, 0.579, 0.001) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, 0.001, -0.002) ( 0.001, 0.002, -0.002) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.001, -0.001) ( 0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 250: vdw (-12.705, 2.379, 0.009) (-12.705, 2.379, 0.009) ( 0.00, 0.00, 0.00) 250: electro ( -0.694, 0.130, 0.001) ( -0.694, 0.130, 0.001) ( 0.00, 0.00, 0.00) 250: 2 ( -0.094, -0.071, -0.108) ( -0.084, -0.054, -0.110) ( 0.09, 0.12, 0.02) 250: bond ( 15.243, -7.110, -6.312) ( 15.248, -7.108, -6.308) ( 0.04, 0.03, 0.07) 250: angle ( -4.881, -0.262, -1.754) ( -4.879, -0.261, -1.753) ( 0.04, 0.02, 0.09) 250: strbnd ( -1.609, 1.725, 2.154) ( -1.609, 1.725, 2.154) ( 0.01, 0.00, 0.01) 250: torsion ( 0.015, 0.078, -0.054) ( 0.015, 0.079, -0.054) ( 0.00, 0.01, 0.00) 250: oop ( -0.015, -0.078, 0.052) ( -0.012, -0.066, 0.044) ( 0.00, 0.10, 0.04) 250: vdw ( -8.822, 6.095, 6.582) ( -8.822, 6.095, 6.582) ( 0.00, 0.00, 0.00) 250: electro ( -0.025, -0.518, -0.776) ( -0.025, -0.518, -0.776) ( 0.00, 0.00, 0.00) 250: 3 ( 0.182, -0.012, -0.057) ( 0.183, -0.039, -0.032) ( 0.02, 0.03, 0.15) 250: bond ( 0.609, -8.879, -13.408) ( 0.614, -8.877, -13.405) ( 0.30, 0.02, 0.03) 250: angle ( -7.772, 3.135, 2.969) ( -7.770, 3.136, 2.970) ( 0.02, 0.03, 0.05) 250: strbnd ( 2.453, -0.620, -0.234) ( 2.453, -0.620, -0.235) ( 0.01, 0.01, 0.01) 250: torsion ( -0.243, 0.162, 0.098) ( -0.243, 0.163, 0.098) ( 0.00, 0.01, 0.00) 250: oop ( 0.034, 0.181, -0.121) ( 0.028, 0.151, -0.101) ( 0.02, 0.55, 0.25) 250: vdw ( 4.751, 6.373, 11.116) ( 4.751, 6.373, 11.116) ( 0.00, 0.00, 0.00) 250: electro ( 0.350, -0.364, -0.476) ( 0.350, -0.364, -0.476) ( 0.00, 0.00, 0.00) 250: 4 ( -0.195, 0.032, 0.015) ( -0.188, 0.037, 0.020) ( 0.13, 0.02, 0.01) 250: bond ( -7.919, 1.496, 0.029) ( -7.915, 1.498, 0.032) ( 0.06, 0.11, 0.01) 250: angle ( 7.321, -1.377, -0.013) ( 7.323, -1.376, -0.012) ( 0.03, 0.07, 0.00) 250: strbnd ( -7.154, 1.339, 0.000) ( -7.155, 1.339, 0.000) ( 0.00, 0.00, 0.00) 250: torsion ( -0.002, -0.005, 0.001) ( -0.002, -0.004, 0.002) ( 0.00, 0.00, 0.00) 250: oop ( -0.001, -0.007, 0.004) ( -0.001, -0.005, 0.003) ( 0.00, 0.00, 0.00) 250: vdw ( 7.561, -1.415, -0.006) ( 7.562, -1.415, -0.006) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 5 ( 0.098, -0.057, -0.028) ( 0.109, -0.026, -0.041) ( 0.11, 0.18, 0.04) 250: bond ( 3.740, 8.034, 13.340) ( 3.745, 8.036, 13.343) ( 0.13, 0.02, 0.03) 250: angle ( -8.410, -0.116, -2.962) ( -8.408, -0.115, -2.960) ( 0.02, 0.01, 0.05) 250: strbnd ( 2.516, -0.308, 0.233) ( 2.515, -0.309, 0.233) ( 0.01, 0.00, 0.01) 250: torsion ( -0.284, -0.056, -0.104) ( -0.284, -0.055, -0.103) ( 0.00, 0.00, 0.00) 250: oop ( -0.031, -0.165, 0.109) ( -0.025, -0.137, 0.091) ( 0.02, 0.46, 0.20) 250: vdw ( 2.108, -7.659, -11.120) ( 2.108, -7.659, -11.120) ( 0.00, 0.00, 0.00) 250: electro ( 0.459, 0.213, 0.476) ( 0.459, 0.213, 0.476) ( 0.00, 0.00, 0.00) 250: 6 ( -0.017, 0.039, 0.055) ( -0.012, 0.031, 0.069) ( 0.01, 0.03, 0.08) 250: bond ( 16.822, 1.066, 6.232) ( 16.827, 1.068, 6.236) ( 0.03, 0.19, 0.07) 250: angle ( -4.438, 2.007, 1.762) ( -4.436, 2.007, 1.763) ( 0.05, 0.03, 0.09) 250: strbnd ( -2.127, -1.024, -2.150) ( -2.127, -1.024, -2.150) ( 0.01, 0.00, 0.01) 252: 1 ( -0.390, -0.080, -0.086) ( -0.400, -0.036, -0.040) ( 0.41, 0.35, 0.40) 252: bond ( 6.718, 6.276, -0.511) ( 6.723, 6.283, -0.510) ( 0.07, 0.11, 0.05) 252: angle ( 7.350, 2.161, 1.524) ( 7.352, 2.163, 1.524) ( 0.02, 0.08, 0.00) 252: strbnd ( -5.562, -3.003, -0.620) ( -5.562, -3.004, -0.620) ( 0.00, 0.02, 0.00) 252: torsion ( 0.209, -0.213, -0.135) ( 0.209, -0.213, -0.134) ( 0.00, 0.00, 0.01) 252: oop ( 0.102, -0.210, -0.295) ( 0.085, -0.175, -0.250) ( 0.17, 0.74, 1.31) 252: vdw ( -9.274, -5.085, -0.061) ( -9.274, -5.085, -0.061) ( 0.00, 0.00, 0.00) 252: electro ( 0.067, -0.005, 0.012) ( 0.067, -0.005, 0.012) ( 0.00, 0.00, 0.00) 252: 2 ( -0.546, -0.957, 0.155) ( -0.544, -0.941, 0.181) ( 0.08, 1.49, 0.40) 252: bond ( 5.859, -4.939, 3.180) ( 5.864, -4.931, 3.182) ( 0.09, 0.16, 0.04) 252: angle ( -5.582, 0.865, -2.937) ( -5.580, 0.867, -2.937) ( 0.03, 0.13, 0.01) 252: strbnd ( 3.439, -2.665, 1.582) ( 3.438, -2.666, 1.582) ( 0.02, 0.03, 0.00) 252: torsion ( -0.645, 0.747, 3.059) ( -0.645, 0.747, 3.060) ( 0.01, 0.01, 0.04) 252: oop ( 0.034, -0.042, -0.149) ( 0.029, -0.036, -0.126) ( 0.02, 0.03, 0.35) 252: vdw ( -3.802, 4.778, -4.508) ( -3.801, 4.778, -4.508) ( 0.01, 0.00, 0.00) 252: electro ( 0.151, 0.299, -0.070) ( 0.151, 0.299, -0.070) ( 0.00, 0.00, 0.00) 252: 3 ( -6.918, 4.406, -3.910) ( -6.927, 4.418, -3.755) ( 0.12, 0.27, 3.97) 252: bond ( 8.537, 8.504, 0.695) ( 8.543, 8.515, 0.695) ( 0.06, 0.14, 0.00) 252: angle (-28.587, -3.313, -5.216) (-28.584, -3.311, -5.216) ( 0.01, 0.05, 0.00) 252: strbnd ( 13.895, 1.569, 1.674) ( 13.894, 1.567, 1.674) ( 0.01, 0.12, 0.00) 252: torsion ( -0.070, 0.291, -0.883) ( -0.070, 0.291, -0.883) ( 0.00, 0.00, 0.04) 252: oop ( 0.085, -0.003, -0.855) ( 0.070, -0.003, -0.700) ( 0.13, 0.00, 13.23) 252: vdw ( -3.152, -1.167, -0.567) ( -3.152, -1.167, -0.567) ( 0.00, 0.00, 0.00) 252: electro ( 2.373, -1.475, 1.243) ( 2.373, -1.475, 1.243) ( 0.00, 0.00, 0.00) 252: 4 ( 6.252, -1.262, 2.485) ( 6.292, -1.324, 2.319) ( 0.63, 4.92, 6.70) 252: bond ( 5.784, 6.960, -1.839) ( 5.788, 6.969, -1.837) ( 0.07, 0.13, 0.11) 252: angle ( 0.982, -10.064, 4.762) ( 0.983, -10.062, 4.762) ( 0.17, 0.02, 0.00) 252: strbnd ( 2.113, 6.313, -2.390) ( 2.113, 6.312, -2.391) ( 0.01, 0.02, 0.01) 252: torsion ( 0.211, -0.053, -0.431) ( 0.211, -0.052, -0.430) ( 0.00, 0.00, 0.02) 252: oop ( -0.201, 0.426, 1.012) ( -0.167, 0.355, 0.843) ( 0.68, 3.05, 16.69) 252: vdw ( -0.575, -5.329, 2.147) ( -0.575, -5.329, 2.147) ( 0.00, 0.00, 0.00) 252: electro ( -2.061, 0.485, -0.775) ( -2.061, 0.485, -0.775) ( 0.00, 0.00, 0.00) 252: 5 ( -4.110, -0.366, -1.743) ( -4.120, -0.332, -1.682) ( 0.25, 1.24, 3.49) 252: bond ( 0.169, 6.053, -2.652) ( 0.169, 6.060, -2.651) ( 0.00, 0.13, 0.06) 252: angle ( -0.570, -0.029, -0.102) ( -0.569, -0.029, -0.102) ( 0.04, 0.00, 0.00) 252: strbnd ( -0.449, -0.737, 0.244) ( -0.449, -0.737, 0.244) ( 0.00, 0.00, 0.00) 252: torsion ( 0.351, -0.798, -1.802) ( 0.351, -0.798, -1.802) ( 0.00, 0.00, 0.00) 252: oop ( 0.063, -0.144, -0.325) ( 0.052, -0.118, -0.265) ( 0.07, 0.38, 1.92) 252: vdw ( -5.042, -4.784, 2.331) ( -5.041, -4.784, 2.331) ( 0.00, 0.00, 0.00) 252: electro ( 1.366, 0.073, 0.563) ( 1.366, 0.073, 0.563) ( 0.00, 0.00, 0.00) 252: 6 ( -0.304, 0.282, -0.195) ( -0.308, 0.313, -0.130) ( 0.12, 0.89, 1.29) 252: bond ( -0.057, 4.697, -1.723) ( -0.052, 4.701, -1.723) ( 0.03, 0.10, 0.04) 252: angle ( 6.722, 9.815, -3.104) ( 6.724, 9.816, -3.104) ( 0.03, 0.02, 0.00) 252: strbnd ( -8.096, -2.087, -0.459) ( -8.096, -2.087, -0.459) ( 0.00, 0.00, 0.00) 250: torsion ( -0.016, -0.084, 0.056) ( -0.016, -0.083, 0.056) ( 0.00, 0.01, 0.00) 250: oop ( 0.013, 0.071, -0.048) ( 0.011, 0.060, -0.040) ( 0.00, 0.08, 0.04) 250: vdw (-10.436, -2.488, -6.572) (-10.436, -2.488, -6.572) ( 0.00, 0.00, 0.00) 250: electro ( 0.165, 0.492, 0.776) ( 0.165, 0.492, 0.776) ( 0.00, 0.00, 0.00) 250: 7 ( 0.083, 0.029, -0.027) ( 0.090, 0.034, -0.024) ( 0.06, 0.02, 0.01) 250: bond ( -5.715, 1.120, -0.030) ( -5.710, 1.124, -0.028) ( 0.08, 0.35, 0.00) 250: angle ( -3.925, 0.733, 0.006) ( -3.923, 0.734, 0.007) ( 0.05, 0.10, 0.00) 250: strbnd ( 10.212, -1.917, -0.002) ( 10.212, -1.917, -0.002) ( 0.00, 0.01, 0.00) 250: torsion ( -0.000, -0.001, 0.000) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.489, 0.094, -0.002) ( -0.488, 0.094, -0.002) ( 0.01, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 8 ( -0.096, 0.024, -0.020) ( -0.089, 0.030, -0.017) ( 0.07, 0.01, 0.01) 250: bond ( -3.483, -12.638, 7.907) ( -3.478, -12.633, 7.908) ( 0.16, 0.03, 0.02) 250: angle ( 3.798, 0.832, -0.921) ( 3.800, 0.834, -0.921) ( 0.04, 0.11, 0.04) 250: strbnd ( 1.060, -1.300, 0.656) ( 1.060, -1.300, 0.656) ( 0.02, 0.01, 0.00) 250: torsion ( 0.019, 0.099, 0.166) ( 0.019, 0.099, 0.167) ( 0.00, 0.00, 0.02) 250: oop ( -0.000, -0.001, -0.002) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( -1.505, 14.542, -8.739) ( -1.505, 14.542, -8.739) ( 0.01, 0.00, 0.00) 250: electro ( 0.016, -1.510, 0.914) ( 0.016, -1.510, 0.914) ( 0.00, 0.00, 0.00) 250: 9 ( -0.010, -0.087, 0.031) ( -0.003, -0.081, 0.034) ( 0.01, 0.05, 0.01) 250: bond ( -2.492, -7.482, 4.725) ( -2.486, -7.478, 4.727) ( 0.23, 0.05, 0.03) 250: angle ( -4.105, -3.933, 2.798) ( -4.103, -3.931, 2.798) ( 0.04, 0.03, 0.02) 250: strbnd ( -4.222, 0.031, 0.453) ( -4.222, 0.031, 0.453) ( 0.01, 0.00, 0.00) 250: torsion ( -0.000, -0.003, -0.005) ( -0.000, -0.003, -0.004) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 10.835, 10.954, -7.728) ( 10.835, 10.954, -7.728) ( 0.00, 0.00, 0.00) 250: electro ( -0.025, 0.347, -0.209) ( -0.025, 0.347, -0.209) ( 0.00, 0.00, 0.00) 250: 10 ( -0.018, -0.003, 0.005) ( -0.014, 0.002, 0.008) ( 0.01, 0.00, 0.00) 250: bond (-13.181, 2.472, 0.003) (-13.178, 2.476, 0.004) ( 0.02, 0.16, 0.00) 250: angle ( 8.282, -1.555, -0.003) ( 8.284, -1.555, -0.003) ( 0.02, 0.02, 0.00) 250: strbnd ( 0.147, -0.037, 0.005) ( 0.147, -0.037, 0.006) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 8.264, -1.546, -0.006) ( 8.265, -1.546, -0.006) ( 0.00, 0.00, 0.00) 250: electro ( -3.532, 0.661, 0.003) ( -3.532, 0.661, 0.003) ( 0.00, 0.00, 0.00) 250: 11 ( -0.084, 0.070, -0.048) ( -0.077, 0.076, -0.045) ( 0.06, 0.04, 0.02) 250: bond ( 0.276, 7.851, -4.706) ( 0.282, 7.855, -4.705) ( 0.16, 0.05, 0.03) 250: angle ( -2.425, 5.161, -2.800) ( -2.424, 5.163, -2.800) ( 0.07, 0.03, 0.02) 250: strbnd ( -3.937, 1.510, -0.456) ( -3.938, 1.510, -0.456) ( 0.01, 0.01, 0.00) 250: torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.006) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) 250: vdw ( 6.153, -14.132, 7.716) ( 6.153, -14.132, 7.716) ( 0.00, 0.00, 0.00) 250: electro ( -0.149, -0.315, 0.209) ( -0.149, -0.315, 0.209) ( 0.00, 0.00, 0.00) 250: 12 ( 0.047, -0.083, 0.059) ( 0.054, -0.077, 0.061) ( 0.03, 0.04, 0.02) 252: torsion ( -0.110, 0.259, 0.519) ( -0.110, 0.259, 0.520) ( 0.00, 0.00, 0.06) 252: oop ( 0.071, -0.161, -0.404) ( 0.060, -0.136, -0.340) ( 0.08, 0.40, 2.58) 252: vdw ( 1.049, -12.118, 4.931) ( 1.049, -12.118, 4.931) ( 0.03, 0.00, 0.00) 252: electro ( 0.117, -0.122, 0.045) ( 0.117, -0.122, 0.045) ( 0.00, 0.00, 0.00) 252: 7 ( -0.202, 0.557, -0.182) ( -0.197, 0.570, -0.158) ( 0.09, 0.68, 0.44) 252: bond ( 3.349, -0.633, 0.565) ( 3.354, -0.629, 0.566) ( 0.16, 0.29, 0.05) 252: angle ( -2.010, -5.848, 0.374) ( -2.008, -5.846, 0.374) ( 0.11, 0.04, 0.01) 252: strbnd ( -0.379, -1.736, 0.181) ( -0.380, -1.737, 0.181) ( 0.03, 0.03, 0.00) 252: torsion ( -0.325, 0.273, 1.507) ( -0.325, 0.273, 1.508) ( 0.00, 0.00, 0.09) 252: oop ( 0.017, -0.034, -0.134) ( 0.015, -0.028, -0.112) ( 0.00, 0.02, 0.29) 252: vdw ( -0.926, 8.721, -2.733) ( -0.925, 8.721, -2.733) ( 0.03, 0.00, 0.00) 252: electro ( 0.071, -0.184, 0.059) ( 0.071, -0.184, 0.059) ( 0.00, 0.00, 0.00) 252: 8 ( -1.891, -0.177, -0.173) ( -1.886, -0.165, -0.154) ( 0.25, 0.22, 0.33) 252: bond ( -2.335, 12.424, -4.470) ( -2.330, 12.429, -4.470) ( 0.23, 0.04, 0.02) 252: angle ( -1.627, -0.904, 0.021) ( -1.626, -0.902, 0.021) ( 0.10, 0.16, 0.00) 252: strbnd ( -5.052, -1.205, -0.263) ( -5.052, -1.206, -0.263) ( 0.00, 0.01, 0.00) 252: torsion ( -0.060, 0.134, 0.425) ( -0.060, 0.134, 0.426) ( 0.00, 0.00, 0.05) 252: oop ( 0.013, -0.035, -0.105) ( 0.011, -0.030, -0.088) ( 0.00, 0.02, 0.18) 252: vdw ( 6.553, -10.647, 4.170) ( 6.553, -10.647, 4.170) ( 0.00, 0.00, 0.00) 252: electro ( 0.618, 0.057, 0.050) ( 0.618, 0.057, 0.050) ( 0.00, 0.00, 0.00) 252: 9 ( -0.774, -1.950, -0.631) ( -0.746, -1.983, -0.746) ( 2.17, 1.69, 7.26) 252: bond ( 7.584, -6.522, 1.280) ( 7.590, -6.517, 1.281) ( 0.08, 0.07, 0.06) 252: angle ( -6.868, -3.074, 6.963) ( -6.866, -3.072, 6.964) ( 0.03, 0.07, 0.01) 252: strbnd ( -1.384, 3.697, -1.135) ( -1.385, 3.696, -1.136) ( 0.05, 0.02, 0.01) 252: torsion ( 0.914, -1.383, -5.636) ( 0.914, -1.383, -5.635) ( 0.00, 0.01, 0.01) 252: oop ( -0.133, 0.235, 0.708) ( -0.112, 0.195, 0.591) ( 0.28, 0.92, 8.29) 252: vdw ( -1.168, 4.392, -3.048) ( -1.168, 4.393, -3.048) ( 0.00, 0.00, 0.00) 252: electro ( 0.281, 0.705, 0.237) ( 0.281, 0.705, 0.237) ( 0.00, 0.00, 0.00) 252: 10 ( -0.880, -1.134, 0.021) ( -0.875, -1.120, 0.038) ( 0.42, 1.22, 0.04) 252: bond ( 2.250, -21.552, 7.812) ( 2.255, -21.547, 7.813) ( 0.22, 0.02, 0.01) 252: angle ( 0.157, 10.838, -3.791) ( 0.158, 10.840, -3.791) ( 0.02, 0.02, 0.01) 252: strbnd ( -4.774, 3.240, -1.394) ( -4.774, 3.239, -1.394) ( 0.00, 0.01, 0.00) 252: torsion ( -0.412, 1.059, 3.327) ( -0.412, 1.059, 3.328) ( 0.00, 0.02, 0.04) 252: oop ( 0.001, -0.020, -0.019) ( -0.000, -0.013, -0.004) ( 0.00, 0.01, 0.03) 252: vdw ( 1.632, 4.936, -5.898) ( 1.632, 4.937, -5.898) ( 0.01, 0.01, 0.00) 252: electro ( 0.267, 0.365, -0.016) ( 0.267, 0.365, -0.016) ( 0.00, 0.00, 0.00) 252: 11 ( -0.274, -0.454, -0.157) ( -0.317, -0.358, -0.074) ( 1.19, 4.38, 1.30) 252: bond (-16.382, -5.258, -0.908) (-16.377, -5.253, -0.907) ( 0.03, 0.09, 0.07) 252: angle (-11.115, 1.090, 2.569) (-11.112, 1.092, 2.569) ( 0.02, 0.19, 0.01) 252: strbnd ( 22.133, 1.950, 2.757) ( 22.132, 1.949, 2.757) ( 0.00, 0.03, 0.00) 252: torsion ( -0.093, 0.026, -1.627) ( -0.093, 0.026, -1.626) ( 0.00, 0.00, 0.06) 252: oop ( 0.396, -0.643, -0.208) ( 0.346, -0.553, -0.127) ( 2.00, 5.78, 1.67) 252: vdw ( 4.671, 2.284, -2.768) ( 4.672, 2.284, -2.768) ( 0.00, 0.00, 0.00) 252: electro ( 0.115, 0.097, 0.028) ( 0.115, 0.097, 0.028) ( 0.00, 0.00, 0.00) 252: 12 ( -0.438, 1.369, -0.101) ( -0.434, 1.364, -0.123) ( 0.17, 0.40, 0.22) 250: bond ( 1.440, 12.965, -7.881) ( 1.446, 12.969, -7.880) ( 0.38, 0.03, 0.02) 250: angle ( 3.262, -2.172, 0.925) ( 3.264, -2.171, 0.925) ( 0.05, 0.06, 0.04) 250: strbnd ( 1.447, 0.834, -0.660) ( 1.447, 0.834, -0.660) ( 0.01, 0.01, 0.00) 250: torsion ( -0.018, -0.096, -0.161) ( -0.018, -0.095, -0.160) ( 0.00, 0.00, 0.01) 250: oop ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 250: vdw ( -6.645, -13.018, 8.747) ( -6.645, -13.018, 8.747) ( 0.00, 0.00, 0.00) 250: electro ( 0.560, 1.403, -0.914) ( 0.560, 1.402, -0.914) ( 0.00, 0.00, 0.00) 250: 13 ( 0.014, 0.029, -0.012) ( 0.016, 0.031, -0.010) ( 0.00, 0.01, 0.00) 250: bond ( 0.532, 0.585, -0.410) ( 0.533, 0.587, -0.409) ( 0.07, 0.10, 0.03) 250: angle ( -1.375, 0.959, -0.417) ( -1.375, 0.959, -0.417) ( 0.03, 0.02, 0.00) 250: strbnd ( -0.291, 0.302, -0.147) ( -0.291, 0.302, -0.147) ( 0.00, 0.00, 0.00) 250: torsion ( -0.002, -0.013, -0.021) ( -0.002, -0.012, -0.021) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.001, -0.001) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 0.782, -2.146, 1.210) ( 0.782, -2.146, 1.210) ( 0.00, 0.00, 0.00) 250: electro ( 0.369, 0.342, -0.225) ( 0.369, 0.342, -0.225) ( 0.00, 0.00, 0.00) 250: 14 ( 0.014, -0.025, 0.027) ( 0.015, -0.022, 0.028) ( 0.00, 0.01, 0.00) 250: bond ( -0.713, 1.410, -0.761) ( -0.713, 1.412, -0.760) ( 0.04, 0.17, 0.05) 250: angle ( -1.054, -0.355, 0.329) ( -1.053, -0.355, 0.329) ( 0.06, 0.00, 0.00) 250: strbnd ( 0.385, 0.200, -0.162) ( 0.385, 0.200, -0.162) ( 0.00, 0.00, 0.00) 250: torsion ( 0.001, 0.005, 0.009) ( 0.001, 0.006, 0.009) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.575, -0.404, 0.175) ( 0.575, -0.404, 0.175) ( 0.00, 0.00, 0.00) 250: electro ( 0.821, -0.881, 0.436) ( 0.821, -0.881, 0.436) ( 0.00, 0.00, 0.00) 250: 15 ( -0.046, -0.018, 0.011) ( -0.038, -0.002, 0.010) ( 0.03, 0.03, 0.00) 250: bond ( -7.125, -4.896, -9.263) ( -7.121, -4.892, -9.259) ( 0.06, 0.09, 0.05) 250: angle ( 6.393, 2.270, 5.666) ( 6.394, 2.272, 5.667) ( 0.03, 0.07, 0.03) 250: strbnd ( 0.273, -0.725, -1.181) ( 0.272, -0.726, -1.182) ( 0.02, 0.04, 0.08) 250: torsion ( 1.289, -0.354, -0.774) ( 1.289, -0.353, -0.774) ( 0.00, 0.00, 0.00) 250: oop ( -0.010, -0.056, 0.038) ( -0.009, -0.047, 0.031) ( 0.00, 0.05, 0.02) 250: vdw ( -0.361, 3.610, 5.432) ( -0.361, 3.610, 5.432) ( 0.00, 0.00, 0.00) 250: electro ( -0.503, 0.134, 0.095) ( -0.503, 0.134, 0.095) ( 0.00, 0.00, 0.00) 250: 16 ( 0.036, -0.004, 0.009) ( 0.041, -0.003, 0.010) ( 0.02, 0.00, 0.00) 250: bond ( -1.105, 0.206, 0.001) ( -1.100, 0.206, 0.001) ( 0.41, 0.00, 0.00) 250: angle ( 0.001, 0.005, 0.007) ( 0.001, 0.005, 0.007) ( 0.00, 0.00, 0.00) 250: strbnd ( 3.048, -0.570, -0.001) ( 3.048, -0.570, -0.001) ( 0.00, 0.00, 0.00) 250: torsion ( -0.000, -0.001, 0.001) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.001, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.498, 0.093, 0.000) ( -0.498, 0.093, 0.001) ( 0.00, 0.00, 0.00) 250: electro ( -1.410, 0.264, 0.001) ( -1.410, 0.264, 0.001) ( 0.00, 0.00, 0.00) 250: 17 ( -0.037, 0.047, 0.071) ( -0.035, 0.047, 0.074) ( 0.01, 0.00, 0.02) 250: bond ( -0.132, 0.174, 0.223) ( -0.131, 0.175, 0.225) ( 0.01, 0.03, 0.05) 250: angle ( 1.479, 0.192, 0.711) ( 1.480, 0.192, 0.711) ( 0.05, 0.00, 0.01) 250: strbnd ( 1.315, -1.062, -1.217) ( 1.315, -1.062, -1.217) ( 0.00, 0.00, 0.00) 250: torsion ( -0.011, -0.057, 0.038) ( -0.011, -0.057, 0.038) ( 0.00, 0.00, 0.00) 250: oop ( 0.001, 0.006, -0.004) ( 0.001, 0.005, -0.003) ( 0.00, 0.00, 0.00) 252: bond ( -0.083, -1.551, 0.585) ( -0.083, -1.548, 0.586) ( 0.00, 0.21, 0.03) 252: angle ( -2.409, 0.039, -0.237) ( -2.408, 0.039, -0.237) ( 0.03, 0.00, 0.00) 252: strbnd ( 0.317, 2.635, -1.018) ( 0.317, 2.635, -1.018) ( 0.00, 0.00, 0.00) 252: torsion ( -0.335, 0.971, 2.518) ( -0.335, 0.971, 2.518) ( 0.00, 0.00, 0.01) 252: oop ( -0.020, 0.060, 0.155) ( -0.017, 0.051, 0.132) ( 0.01, 0.05, 0.36) 252: vdw ( 1.947, -0.339, -2.146) ( 1.947, -0.339, -2.146) ( 0.01, 0.00, 0.00) 252: electro ( 0.146, -0.445, 0.041) ( 0.146, -0.445, 0.041) ( 0.00, 0.00, 0.00) 252: 13 ( 1.701, 2.579, -0.525) ( 1.727, 2.539, -0.665) ( 1.54, 1.55, 7.37) 252: bond (-10.578, 16.134, -6.570) (-10.572, 16.139, -6.569) ( 0.06, 0.03, 0.01) 252: angle ( 3.774, -9.877, 3.575) ( 3.776, -9.875, 3.575) ( 0.06, 0.02, 0.00) 252: strbnd ( 6.607, 8.014, -1.786) ( 6.607, 8.014, -1.786) ( 0.00, 0.00, 0.00) 252: torsion ( 0.139, -0.606, -1.888) ( 0.139, -0.606, -1.887) ( 0.00, 0.01, 0.06) 252: oop ( -0.104, 0.267, 0.810) ( -0.086, 0.220, 0.668) ( 0.18, 1.25, 11.54) 252: vdw ( 2.473, -10.532, 5.124) ( 2.473, -10.532, 5.124) ( 0.01, 0.00, 0.00) 252: electro ( -0.611, -0.821, 0.209) ( -0.611, -0.821, 0.209) ( 0.00, 0.00, 0.00) 252: 14 ( 0.986, 0.151, -0.043) ( 0.987, 0.154, -0.045) ( 0.11, 0.04, 0.01) 252: bond ( 0.027, 1.931, -0.640) ( 0.027, 1.934, -0.640) ( 0.00, 0.18, 0.02) 252: angle ( -2.454, -0.061, -0.290) ( -2.454, -0.061, -0.290) ( 0.03, 0.00, 0.00) 252: strbnd ( -0.157, -0.599, 0.177) ( -0.157, -0.599, 0.177) ( 0.00, 0.00, 0.00) 252: torsion ( 0.008, -0.021, -0.062) ( 0.008, -0.021, -0.062) ( 0.00, 0.00, 0.00) 252: oop ( -0.002, 0.005, 0.014) ( -0.001, 0.004, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( 3.894, -1.054, 0.744) ( 3.894, -1.054, 0.744) ( 0.00, 0.00, 0.00) 252: electro ( -0.330, -0.049, 0.015) ( -0.330, -0.049, 0.015) ( 0.00, 0.00, 0.00) 252: 15 ( -0.314, 0.296, 0.066) ( -0.314, 0.306, 0.088) ( 0.02, 0.27, 0.15) 252: bond ( 0.221, -0.141, 0.077) ( 0.224, -0.139, 0.077) ( 0.07, 0.02, 0.00) 252: angle ( 4.781, 6.809, -1.605) ( 4.781, 6.810, -1.605) ( 0.01, 0.01, 0.00) 252: strbnd ( -0.896, 1.110, -0.480) ( -0.896, 1.110, -0.480) ( 0.00, 0.00, 0.00) 252: torsion ( 0.065, -0.159, -0.479) ( 0.065, -0.159, -0.479) ( 0.00, 0.00, 0.01) 252: oop ( 0.019, -0.046, -0.139) ( 0.016, -0.039, -0.117) ( 0.01, 0.03, 0.30) 252: vdw ( -4.637, -7.161, 2.713) ( -4.637, -7.161, 2.713) ( 0.00, 0.00, 0.00) 252: electro ( 0.133, -0.115, -0.022) ( 0.133, -0.115, -0.022) ( 0.00, 0.00, 0.00) 252: 16 ( 12.569, 0.466, 4.456) ( 12.606, 0.357, 4.669) ( 0.29, 5.06, 4.80) 252: bond ( 11.932, 3.001, 15.852) ( 11.937, 3.005, 15.854) ( 0.04, 0.13, 0.01) 252: angle ( 23.478, 14.321, -5.626) ( 23.480, 14.322, -5.625) ( 0.01, 0.01, 0.02) 252: strbnd (-17.338, -10.628, -0.306) (-17.339, -10.629, -0.306) ( 0.01, 0.01, 0.01) 252: torsion ( 2.457, -3.717, -2.036) ( 2.457, -3.717, -2.036) ( 0.00, 0.00, 0.01) 252: oop ( -0.175, 1.180, -2.156) ( -0.144, 1.066, -1.945) ( 0.54, 9.63, 9.80) 252: vdw ( -3.584, -3.576, 0.274) ( -3.584, -3.576, 0.274) ( 0.00, 0.00, 0.00) 252: electro ( -4.202, -0.115, -1.547) ( -4.202, -0.115, -1.547) ( 0.00, 0.00, 0.00) 252: 17 ( -0.127, -0.381, 0.161) ( -0.130, -0.361, 0.202) ( 0.04, 0.77, 0.67) 252: bond ( -1.611, -0.017, 3.957) ( -1.609, -0.012, 3.962) ( 0.12, 0.01, 0.12) 252: angle ( 6.180, 1.067, -5.100) ( 6.182, 1.069, -5.098) ( 0.03, 0.17, 0.04) 252: strbnd ( 0.100, -7.392, 3.328) ( 0.099, -7.392, 3.327) ( 0.00, 0.01, 0.03) 252: torsion ( 0.098, -0.377, 0.788) ( 0.098, -0.377, 0.788) ( 0.00, 0.00, 0.00) 252: oop ( 0.041, -0.083, -0.211) ( 0.034, -0.069, -0.175) ( 0.03, 0.12, 0.75) 250: vdw ( -4.211, 0.450, -0.614) ( -4.210, 0.450, -0.614) ( 0.00, 0.00, 0.00) 250: electro ( 1.521, 0.344, 0.934) ( 1.521, 0.344, 0.934) ( 0.00, 0.00, 0.00) 250: 18 ( -0.041, 0.022, 0.048) ( -0.037, 0.019, 0.060) ( 0.02, 0.01, 0.05) 250: bond ( -4.885, 7.159, 9.319) ( -4.880, 7.163, 9.323) ( 0.09, 0.06, 0.05) 250: angle ( 5.152, -4.463, -5.651) ( 5.154, -4.462, -5.649) ( 0.04, 0.03, 0.03) 250: strbnd ( 0.516, 0.583, 1.171) ( 0.515, 0.582, 1.170) ( 0.03, 0.04, 0.08) 250: torsion ( 1.334, -0.130, 0.768) ( 1.334, -0.130, 0.768) ( 0.00, 0.00, 0.00) 250: oop ( 0.010, 0.051, -0.034) ( 0.008, 0.042, -0.028) ( 0.00, 0.04, 0.02) 250: vdw ( -1.650, -3.234, -5.431) ( -1.650, -3.234, -5.431) ( 0.01, 0.00, 0.00) 250: electro ( -0.518, 0.057, -0.094) ( -0.518, 0.057, -0.094) ( 0.00, 0.00, 0.00) 250: 19 ( -0.026, -0.013, -0.044) ( -0.024, -0.011, -0.042) ( 0.01, 0.00, 0.01) 250: bond ( -0.161, -0.100, -0.195) ( -0.159, -0.099, -0.193) ( 0.03, 0.01, 0.05) 250: angle ( 1.304, -0.712, -0.711) ( 1.305, -0.712, -0.711) ( 0.04, 0.01, 0.01) 250: strbnd ( 1.615, 0.513, 1.214) ( 1.615, 0.513, 1.214) ( 0.00, 0.00, 0.00) 250: torsion ( 0.011, 0.057, -0.038) ( 0.011, 0.058, -0.038) ( 0.00, 0.00, 0.00) 250: oop ( -0.001, -0.006, 0.004) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 250: vdw ( -4.086, 1.106, 0.619) ( -4.086, 1.106, 0.619) ( 0.00, 0.00, 0.00) 250: electro ( 1.292, -0.870, -0.936) ( 1.292, -0.870, -0.936) ( 0.00, 0.00, 0.00) 250: 20 ( 0.018, -0.043, 0.008) ( 0.019, -0.041, 0.009) ( 0.00, 0.01, 0.00) 250: bond ( 0.288, -0.750, 0.412) ( 0.289, -0.747, 0.413) ( 0.01, 0.20, 0.03) 250: angle ( -1.609, -0.393, 0.414) ( -1.608, -0.393, 0.414) ( 0.04, 0.00, 0.00) 250: strbnd ( -0.388, -0.178, 0.149) ( -0.388, -0.178, 0.149) ( 0.00, 0.00, 0.00) 250: torsion ( 0.002, 0.011, 0.019) ( 0.002, 0.011, 0.019) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 1.503, 1.719, -1.212) ( 1.503, 1.719, -1.212) ( 0.00, 0.00, 0.00) 250: electro ( 0.221, -0.453, 0.225) ( 0.221, -0.453, 0.225) ( 0.00, 0.00, 0.00) 250: 21 ( 0.039, 0.039, -0.040) ( 0.041, 0.040, -0.039) ( 0.01, 0.01, 0.00) 250: bond ( -1.156, -1.042, 0.748) ( -1.154, -1.041, 0.749) ( 0.15, 0.13, 0.05) 250: angle ( -0.862, 0.717, -0.330) ( -0.861, 0.717, -0.330) ( 0.04, 0.02, 0.00) 250: strbnd ( 0.292, -0.327, 0.162) ( 0.292, -0.327, 0.162) ( 0.00, 0.00, 0.00) 250: torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.007) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 250: vdw ( 0.682, 0.169, -0.176) ( 0.682, 0.169, -0.176) ( 0.00, 0.00, 0.00) 250: electro ( 1.083, 0.525, -0.437) ( 1.083, 0.525, -0.437) ( 0.00, 0.00, 0.00) 250: 22 ( -0.002, -0.011, 0.010) ( -0.001, -0.009, 0.011) ( 0.00, 0.00, 0.00) 250: bond ( -0.526, 0.784, -0.542) ( -0.525, 0.786, -0.541) ( 0.04, 0.14, 0.05) 250: angle ( 1.195, -1.233, -2.949) ( 1.195, -1.233, -2.949) ( 0.03, 0.02, 0.01) 250: strbnd ( -0.255, -0.588, -0.393) ( -0.255, -0.588, -0.393) ( 0.00, 0.00, 0.00) 250: torsion ( -0.565, -0.064, 0.455) ( -0.565, -0.064, 0.455) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.149, 1.091, 3.440) ( 0.149, 1.091, 3.440) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 23 ( -0.002, -0.011, 0.000) ( -0.001, -0.010, 0.001) ( 0.00, 0.00, 0.00) 250: bond ( -0.710, -0.703, 0.394) ( -0.709, -0.701, 0.395) ( 0.11, 0.10, 0.02) 252: vdw ( -4.964, 6.311, -2.568) ( -4.963, 6.311, -2.568) ( 0.00, 0.00, 0.00) 252: electro ( 0.029, 0.109, -0.034) ( 0.029, 0.109, -0.034) ( 0.00, 0.00, 0.00) 252: 18 ( 2.026, 0.720, -0.162) ( 2.029, 0.721, -0.163) ( 0.15, 0.06, 0.02) 252: bond ( 2.427, -1.578, 1.180) ( 2.429, -1.577, 1.181) ( 0.09, 0.06, 0.04) 252: angle ( 0.938, 1.300, -0.193) ( 0.938, 1.300, -0.193) ( 0.02, 0.03, 0.00) 252: strbnd ( 0.253, 0.443, -0.086) ( 0.253, 0.443, -0.086) ( 0.00, 0.00, 0.00) 252: torsion ( -0.194, 0.249, 0.730) ( -0.194, 0.249, 0.731) ( 0.00, 0.00, 0.02) 252: oop ( -0.004, 0.005, 0.016) ( -0.004, 0.005, 0.014) ( 0.00, 0.00, 0.00) 252: vdw ( -0.726, 0.545, -1.869) ( -0.726, 0.545, -1.869) ( 0.01, 0.01, 0.00) 252: electro ( -0.668, -0.244, 0.060) ( -0.668, -0.244, 0.060) ( 0.00, 0.00, 0.00) 252: 19 ( 2.870, 0.328, -1.984) ( 2.869, 0.381, -2.042) ( 0.04, 1.74, 2.90) 252: bond ( 14.557, -7.075, -16.796) ( 14.561, -7.071, -16.792) ( 0.03, 0.06, 0.03) 252: angle ( -6.287, 1.336, 9.984) ( -6.284, 1.338, 9.986) ( 0.04, 0.15, 0.02) 252: strbnd ( -1.105, -2.672, 1.853) ( -1.106, -2.672, 1.852) ( 0.07, 0.04, 0.04) 252: torsion ( -2.492, 2.882, -3.676) ( -2.492, 2.882, -3.676) ( 0.00, 0.00, 0.00) 252: oop ( 0.033, -0.539, 0.714) ( 0.027, -0.492, 0.651) ( 0.02, 2.58, 4.51) 252: vdw ( -0.883, 6.505, 5.249) ( -0.883, 6.505, 5.250) ( 0.01, 0.00, 0.00) 252: electro ( -0.953, -0.110, 0.686) ( -0.953, -0.110, 0.686) ( 0.00, 0.00, 0.00) 252: 20 ( 1.141, 5.323, -0.149) ( 1.157, 5.345, -0.248) ( 1.36, 0.42, 1.47) 252: bond ( -3.175, 21.247, -4.289) ( -3.171, 21.251, -4.285) ( 0.12, 0.02, 0.11) 252: angle ( -1.211, -12.477, 2.194) ( -1.209, -12.475, 2.196) ( 0.17, 0.02, 0.08) 252: strbnd ( -3.415, -1.229, 2.715) ( -3.416, -1.230, 2.715) ( 0.04, 0.07, 0.01) 252: torsion ( -0.125, 0.194, 3.424) ( -0.125, 0.195, 3.424) ( 0.00, 0.00, 0.00) 252: oop ( -0.155, -0.246, 0.892) ( -0.144, -0.229, 0.787) ( 0.17, 0.40, 9.32) 252: vdw ( 9.608, -0.387, -5.167) ( 9.608, -0.387, -5.167) ( 0.00, 0.01, 0.00) 252: electro ( -0.385, -1.779, 0.082) ( -0.385, -1.779, 0.082) ( 0.00, 0.00, 0.00) 252: 21 ( -0.002, -0.008, -0.022) ( 0.000, -0.007, -0.021) ( 0.00, 0.00, 0.00) 252: bond ( 1.613, -1.085, 0.142) ( 1.615, -1.084, 0.142) ( 0.14, 0.10, 0.00) 252: angle ( -3.259, -5.157, -2.297) ( -3.259, -5.157, -2.296) ( 0.01, 0.01, 0.02) 252: strbnd ( -0.614, 0.250, -1.435) ( -0.614, 0.250, -1.435) ( 0.00, 0.00, 0.00) 252: torsion ( 0.085, 0.141, 0.107) ( 0.085, 0.141, 0.107) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.173, 5.843, 3.461) ( 2.173, 5.843, 3.461) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 ( 0.001, 0.003, -0.029) ( 0.002, 0.004, -0.025) ( 0.00, 0.00, 0.01) 252: bond ( -0.285, 1.036, -3.315) ( -0.285, 1.036, -3.312) ( 0.00, 0.03, 0.09) 252: angle ( 0.181, -1.068, -0.350) ( 0.182, -1.067, -0.350) ( 0.01, 0.05, 0.00) 252: strbnd ( 0.973, -1.118, 0.103) ( 0.973, -1.118, 0.103) ( 0.00, 0.00, 0.00) 252: torsion ( 0.351, -0.744, -0.263) ( 0.351, -0.744, -0.263) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.220, 1.896, 3.796) ( -1.220, 1.896, 3.796) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( -0.564, -2.361, -0.607) ( -0.559, -2.355, -0.601) ( 0.27, 0.24, 0.37) 252: bond ( -3.127, -17.812, 3.460) ( -3.123, -17.808, 3.465) ( 0.13, 0.02, 0.13) 250: angle ( 0.978, -1.990, -1.779) ( 0.979, -1.990, -1.778) ( 0.03, 0.01, 0.03) 250: strbnd ( -0.228, -0.099, -0.703) ( -0.228, -0.099, -0.703) ( 0.00, 0.00, 0.00) 250: torsion ( -0.442, 0.487, 0.072) ( -0.442, 0.487, 0.072) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.399, 2.293, 2.016) ( 0.399, 2.293, 2.016) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 24 ( 0.016, 0.004, -0.000) ( 0.017, 0.005, 0.001) ( 0.00, 0.00, 0.00) 250: bond ( 0.712, -0.619, -0.845) ( 0.713, -0.618, -0.844) ( 0.08, 0.05, 0.13) 250: angle ( -4.410, -0.925, -3.048) ( -4.410, -0.925, -3.048) ( 0.01, 0.03, 0.01) 250: strbnd ( -0.899, 0.082, -0.052) ( -0.899, 0.082, -0.052) ( 0.00, 0.00, 0.00) 250: torsion ( -0.011, -0.086, 0.054) ( -0.011, -0.086, 0.054) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.624, 1.552, 3.891) ( 4.624, 1.552, 3.891) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 25 ( 0.015, 0.029, -0.030) ( 0.017, 0.030, -0.029) ( 0.00, 0.00, 0.00) 250: bond ( -0.752, -0.529, 0.528) ( -0.750, -0.529, 0.529) ( 0.13, 0.05, 0.04) 250: angle ( 1.555, 0.717, 2.924) ( 1.555, 0.718, 2.924) ( 0.02, 0.03, 0.01) 250: strbnd ( -0.027, 0.641, 0.396) ( -0.027, 0.641, 0.396) ( 0.00, 0.00, 0.00) 250: torsion ( -0.505, 0.263, -0.453) ( -0.505, 0.263, -0.453) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.257, -1.063, -3.425) ( -0.257, -1.063, -3.425) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 26 ( -0.016, -0.001, -0.020) ( -0.014, -0.000, -0.018) ( 0.00, 0.00, 0.00) 250: bond ( 0.867, 0.313, 0.819) ( 0.869, 0.313, 0.821) ( 0.15, 0.01, 0.12) 250: angle ( -3.775, 2.481, 3.047) ( -3.775, 2.482, 3.047) ( 0.01, 0.02, 0.01) 250: strbnd ( -0.869, 0.249, 0.057) ( -0.869, 0.249, 0.057) ( 0.00, 0.00, 0.00) 250: torsion ( 0.019, 0.079, -0.051) ( 0.019, 0.079, -0.051) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.742, -3.123, -3.893) ( 3.742, -3.123, -3.893) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 27 ( 0.012, -0.017, 0.007) ( 0.013, -0.015, 0.008) ( 0.00, 0.00, 0.00) 250: bond ( -0.401, 0.886, -0.386) ( -0.401, 0.889, -0.385) ( 0.02, 0.22, 0.02) 250: angle ( 1.642, 1.513, 1.782) ( 1.642, 1.513, 1.783) ( 0.02, 0.01, 0.03) 250: strbnd ( -0.174, 0.171, 0.708) ( -0.174, 0.170, 0.708) ( 0.00, 0.00, 0.00) 250: torsion ( -0.590, -0.296, -0.070) ( -0.590, -0.296, -0.070) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.465, -2.291, -2.028) ( -0.465, -2.291, -2.028) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 34 # gradients 250: ok 35 # energy 250: ---------------------------------------------------------------------------------------- 250: 250: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr 250: 250: 250: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 250: ---------------------------------------------------------------------------------------- 252: angle ( 0.202, 7.188, -7.171) ( 0.204, 7.190, -7.169) ( 0.04, 0.03, 0.02) 252: strbnd ( 3.369, -1.380, -2.585) ( 3.367, -1.380, -2.585) ( 0.04, 0.05, 0.01) 252: torsion ( -0.244, 1.380, 2.916) ( -0.244, 1.381, 2.917) ( 0.00, 0.01, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.952, 7.510, 2.573) ( -0.952, 7.510, 2.573) ( 0.00, 0.00, 0.00) 252: electro ( 0.189, 0.752, 0.199) ( 0.189, 0.752, 0.199) ( 0.00, 0.00, 0.00) 252: 24 ( 0.007, -0.018, -0.003) ( 0.008, -0.016, -0.001) ( 0.00, 0.00, 0.00) 252: bond ( 0.060, 1.792, 1.597) ( 0.060, 1.794, 1.599) ( 0.00, 0.10, 0.09) 252: angle ( -3.575, -1.364, 1.663) ( -3.575, -1.363, 1.664) ( 0.02, 0.02, 0.02) 252: strbnd ( -0.521, 0.527, -1.117) ( -0.521, 0.527, -1.117) ( 0.00, 0.00, 0.00) 252: torsion ( 0.187, -0.049, 0.048) ( 0.187, -0.049, 0.048) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.856, -0.925, -2.194) ( 3.857, -0.925, -2.194) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( -2.189, 0.946, 0.748) ( -2.183, 0.951, 0.754) ( 0.26, 0.50, 0.41) 252: bond (-13.633, 0.941, 12.416) (-13.629, 0.945, 12.421) ( 0.03, 0.39, 0.04) 252: angle ( 2.350, 2.416, -9.408) ( 2.353, 2.418, -9.406) ( 0.09, 0.08, 0.02) 252: strbnd ( 0.055, 4.163, -0.501) ( 0.054, 4.162, -0.502) ( 0.00, 0.03, 0.04) 252: torsion ( 2.065, -2.248, 1.183) ( 2.065, -2.248, 1.183) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 6.223, -3.991, -2.667) ( 6.223, -3.991, -2.667) ( 0.00, 0.00, 0.00) 252: electro ( 0.752, -0.335, -0.274) ( 0.752, -0.335, -0.274) ( 0.00, 0.00, 0.00) 252: 26 ( -0.004, -0.009, 0.017) ( -0.004, -0.008, 0.020) ( 0.00, 0.00, 0.01) 252: bond ( -0.508, 1.114, -2.671) ( -0.508, 1.115, -2.668) ( 0.01, 0.04, 0.10) 252: angle ( -3.386, -1.138, 0.169) ( -3.386, -1.138, 0.170) ( 0.02, 0.04, 0.00) 252: strbnd ( -0.285, 1.027, 0.757) ( -0.285, 1.027, 0.757) ( 0.00, 0.00, 0.00) 252: torsion ( -0.469, 0.506, 0.301) ( -0.469, 0.506, 0.301) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.645, -1.519, 1.461) ( 4.645, -1.518, 1.461) ( 0.00, 0.01, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 27 (-12.122, -7.423, -2.247) (-12.117, -7.418, -2.244) ( 0.05, 0.07, 0.13) 252: bond (-15.148, -5.941, -10.039) (-15.143, -5.937, -10.037) ( 0.03, 0.08, 0.02) 252: angle ( -5.200, -8.059, 8.744) ( -5.198, -8.058, 8.745) ( 0.03, 0.02, 0.02) 252: strbnd ( -1.543, -1.202, 1.549) ( -1.544, -1.203, 1.548) ( 0.04, 0.04, 0.03) 252: torsion ( -0.831, 0.963, -3.227) ( -0.831, 0.963, -3.226) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 6.577, 4.313, -0.037) ( 6.577, 4.313, -0.037) ( 0.00, 0.00, 0.00) 252: electro ( 4.023, 2.503, 0.763) ( 4.023, 2.503, 0.763) ( 0.00, 0.00, 0.00) 252: 28 ( 0.001, 0.014, -0.042) ( 0.002, 0.015, -0.039) ( 0.00, 0.00, 0.01) 252: bond ( 0.463, -1.202, 2.694) ( 0.464, -1.202, 2.697) ( 0.00, 0.05, 0.10) 252: angle ( 0.035, -0.321, -0.149) ( 0.036, -0.320, -0.149) ( 0.00, 0.01, 0.00) 252: strbnd ( -0.222, -0.567, -1.132) ( -0.222, -0.567, -1.132) ( 0.00, 0.00, 0.00) 252: torsion ( 0.438, -1.586, -0.782) ( 0.438, -1.586, -0.782) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.714, 3.690, -0.674) ( -0.714, 3.690, -0.674) ( 0.00, 0.00, 0.00) 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 250: 1 ( 40.017, -0.918, 27.693) ( 40.022, -0.916, 27.698) ( 0.01, 0.21, 0.02) 250: bond ( 17.093, 4.746, 20.403) ( 17.097, 4.747, 20.407) ( 0.02, 0.02, 0.02) 250: angle ( 10.823, -6.670, -7.661) ( 10.824, -6.668, -7.659) ( 0.02, 0.03, 0.02) 250: strbnd ( -1.302, -1.496, -3.384) ( -1.303, -1.496, -3.384) ( 0.04, 0.04, 0.02) 250: torsion ( -0.752, -0.481, -0.404) ( -0.752, -0.481, -0.404) ( 0.01, 0.01, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.697, 3.940, 6.118) ( 2.697, 3.940, 6.118) ( 0.00, 0.00, 0.00) 250: electro ( 11.458, -0.958, 12.621) ( 11.458, -0.958, 12.621) ( 0.00, 0.00, 0.00) 250: 2 (-31.059, 8.802, 24.651) (-31.053, 8.807, 24.657) ( 0.02, 0.06, 0.02) 250: bond (-27.113, -0.560, 3.022) (-27.109, -0.556, 3.026) ( 0.02, 0.22, 0.12) 250: angle (-10.986, 1.327, 1.389) (-10.984, 1.329, 1.391) ( 0.02, 0.14, 0.17) 250: strbnd ( 6.026, 1.292, 2.785) ( 6.025, 1.291, 2.784) ( 0.02, 0.04, 0.03) 250: torsion ( 0.387, 2.102, 1.063) ( 0.387, 2.103, 1.063) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.974, -1.076, 6.259) ( -5.974, -1.076, 6.260) ( 0.00, 0.00, 0.00) 250: electro ( 6.602, 5.716, 10.133) ( 6.602, 5.716, 10.133) ( 0.00, 0.00, 0.00) 250: 3 (-13.765, -13.920, 11.801) (-13.759, -13.915, 11.806) ( 0.04, 0.04, 0.04) 250: bond ( -2.739, -3.315, 12.969) ( -2.735, -3.311, 12.974) ( 0.14, 0.12, 0.03) 250: angle ( 0.437, -11.359, -0.705) ( 0.439, -11.357, -0.703) ( 0.09, 0.02, 0.14) 250: strbnd ( 1.387, 2.155, -8.533) ( 1.387, 2.154, -8.535) ( 0.02, 0.03, 0.02) 250: torsion ( -2.416, 1.078, 0.854) ( -2.416, 1.078, 0.855) ( 0.00, 0.01, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -6.807, -1.527, 6.510) ( -6.807, -1.527, 6.510) ( 0.00, 0.00, 0.00) 250: electro ( -3.627, -0.951, 0.706) ( -3.627, -0.951, 0.706) ( 0.00, 0.00, 0.00) 250: 4 (-10.095, 5.283, -11.576) (-10.089, 5.286, -11.570) ( 0.05, 0.05, 0.05) 250: bond ( 0.949, -2.282, 0.268) ( 0.953, -2.280, 0.273) ( 0.43, 0.06, 0.13) 250: angle ( 0.591, 21.684, 6.844) ( 0.593, 21.686, 6.845) ( 0.09, 0.01, 0.02) 250: strbnd ( 1.406, -5.851, -0.013) ( 1.406, -5.852, -0.014) ( 0.04, 0.01, 0.00) 250: torsion ( 0.184, -1.989, -0.339) ( 0.185, -1.989, -0.339) ( 0.00, 0.01, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -5.463, -3.294, -7.182) ( -5.463, -3.294, -7.182) ( 0.00, 0.00, 0.00) 250: electro ( -7.762, -2.986, -11.154) ( -7.762, -2.986, -11.154) ( 0.00, 0.00, 0.00) 250: 5 ( 15.784, -6.823, -14.411) ( 15.790, -6.817, -14.405) ( 0.03, 0.08, 0.04) 250: bond ( 13.334, 0.629, -1.309) ( 13.339, 0.633, -1.305) ( 0.04, 0.25, 0.29) 250: angle ( 2.816, -10.985, -2.204) ( 2.818, -10.983, -2.202) ( 0.07, 0.02, 0.10) 250: strbnd ( -8.882, -0.451, 0.327) ( -8.883, -0.452, 0.326) ( 0.02, 0.02, 0.01) 250: torsion ( 0.798, 1.843, -1.911) ( 0.798, 1.843, -1.911) ( 0.00, 0.01, 0.01) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.392, 1.990, -5.711) ( 7.392, 1.990, -5.711) ( 0.00, 0.00, 0.00) 250: electro ( 0.327, 0.152, -3.602) ( 0.327, 0.152, -3.602) ( 0.00, 0.00, 0.00) 250: 6 ( 23.240, 20.461, -25.217) ( 23.246, 20.467, -25.212) ( 0.03, 0.03, 0.02) 250: bond ( 5.775, 7.666, -25.091) ( 5.778, 7.670, -25.086) ( 0.07, 0.05, 0.02) 250: angle ( 1.263, 4.370, -10.670) ( 1.265, 4.372, -10.668) ( 0.18, 0.05, 0.02) 250: strbnd ( 1.829, 0.313, 6.376) ( 1.828, 0.312, 6.375) ( 0.03, 0.02, 0.02) 252: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 29 ( 0.008, 0.030, 0.008) ( 0.008, 0.032, 0.009) ( 0.00, 0.01, 0.00) 252: bond ( -0.087, -1.217, -1.051) ( -0.087, -1.215, -1.050) ( 0.00, 0.16, 0.14) 252: angle ( -0.252, 0.112, -0.110) ( -0.251, 0.113, -0.110) ( 0.02, 0.00, 0.00) 252: strbnd ( 0.115, 0.045, 1.331) ( 0.115, 0.045, 1.331) ( 0.00, 0.00, 0.00) 252: torsion ( -0.210, 0.236, -0.255) ( -0.210, 0.236, -0.255) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.441, 0.855, 0.093) ( 0.441, 0.855, 0.093) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( -0.057, 0.017, 0.002) ( -0.054, 0.018, 0.002) ( 0.02, 0.00, 0.00) 252: bond ( -1.435, 0.851, -0.093) ( -1.433, 0.852, -0.093) ( 0.17, 0.08, 0.00) 252: angle ( -0.122, -0.244, -0.343) ( -0.122, -0.243, -0.342) ( 0.00, 0.01, 0.02) 252: strbnd ( 0.598, -0.582, 1.034) ( 0.598, -0.582, 1.034) ( 0.00, 0.00, 0.00) 252: torsion ( -0.027, -0.078, -0.298) ( -0.027, -0.078, -0.297) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.930, 0.070, -0.299) ( 0.930, 0.070, -0.299) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 31 ( 0.005, -0.020, 0.028) ( 0.006, -0.019, 0.031) ( 0.00, 0.00, 0.01) 252: bond ( 0.312, -0.902, 2.849) ( 0.312, -0.902, 2.852) ( 0.00, 0.03, 0.11) 252: angle ( -0.502, 0.107, 0.089) ( -0.501, 0.107, 0.089) ( 0.03, 0.01, 0.00) 252: strbnd ( -0.940, 0.677, -0.469) ( -0.940, 0.677, -0.469) ( 0.00, 0.00, 0.00) 252: torsion ( -1.235, 1.160, 0.502) ( -1.235, 1.160, 0.502) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.370, -1.062, -2.942) ( 2.370, -1.062, -2.942) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 32 ( 0.594, 0.396, 0.458) ( 0.597, 0.399, 0.458) ( 0.16, 0.09, 0.04) 252: bond ( -0.021, -0.018, 0.009) ( -0.019, -0.016, 0.009) ( 0.00, 0.00, 0.00) 252: angle ( -0.160, 0.222, 0.062) ( -0.160, 0.222, 0.062) ( 0.00, 0.01, 0.00) 252: strbnd ( -0.521, 0.030, -0.937) ( -0.521, 0.030, -0.938) ( 0.00, 0.00, 0.01) 252: torsion ( 0.592, -0.069, 1.057) ( 0.592, -0.069, 1.057) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.902, 0.369, 0.423) ( 0.902, 0.369, 0.423) ( 0.00, 0.00, 0.00) 252: electro ( -0.197, -0.138, -0.156) ( -0.197, -0.138, -0.156) ( 0.00, 0.00, 0.00) 252: 33 ( 11.993, -9.102, 3.831) ( 12.004, -9.096, 3.748) ( 0.09, 0.07, 2.16) 252: bond ( -1.616, -9.765, 0.189) ( -1.616, -9.756, 0.189) ( 0.01, 0.10, 0.00) 252: angle ( 20.636, -3.367, 2.623) ( 20.637, -3.367, 2.623) ( 0.00, 0.00, 0.00) 252: strbnd ( 0.680, 2.049, 0.006) ( 0.680, 2.049, 0.006) ( 0.00, 0.00, 0.00) 252: torsion ( -0.339, 0.113, 2.931) ( -0.339, 0.113, 2.931) ( 0.00, 0.00, 0.00) 252: oop ( -0.045, 0.015, 0.377) ( -0.035, 0.012, 0.294) ( 0.04, 0.00, 3.13) 252: vdw ( -3.314, -1.163, -1.055) ( -3.314, -1.163, -1.055) ( 0.00, 0.00, 0.00) 252: electro ( -4.008, 3.016, -1.242) ( -4.008, 3.016, -1.242) ( 0.00, 0.00, 0.00) 252: 34 ( -0.062, -2.957, 1.492) ( -0.051, -2.954, 1.456) ( 0.07, 0.11, 2.40) 252: bond ( -3.927, 2.786, -0.594) ( -3.921, 2.789, -0.594) ( 0.15, 0.13, 0.00) 252: angle ( 16.132, -2.853, 2.371) ( 16.132, -2.852, 2.372) ( 0.00, 0.05, 0.01) 252: strbnd ( -0.845, 3.072, -0.258) ( -0.845, 3.072, -0.258) ( 0.00, 0.01, 0.00) 250: torsion ( 2.320, 0.305, 0.903) ( 2.321, 0.305, 0.903) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 7.013, 1.540, -5.601) ( 7.013, 1.540, -5.601) ( 0.00, 0.00, 0.00) 250: electro ( 5.041, 6.267, 8.866) ( 5.041, 6.267, 8.865) ( 0.00, 0.00, 0.00) 250: 7 ( -5.321, -8.169, -8.288) ( -5.316, -8.164, -8.283) ( 0.11, 0.07, 0.07) 250: bond ( -5.766, -6.148, -8.390) ( -5.762, -6.144, -8.385) ( 0.07, 0.07, 0.05) 250: angle ( -0.655, -5.211, -2.282) ( -0.653, -5.209, -2.280) ( 0.12, 0.03, 0.08) 250: strbnd ( 5.025, 4.822, 7.145) ( 5.024, 4.821, 7.144) ( 0.01, 0.02, 0.01) 250: torsion ( 0.524, -0.894, 0.352) ( 0.524, -0.894, 0.352) ( 0.00, 0.01, 0.00) 250: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -4.384, -0.621, -5.255) ( -4.383, -0.621, -5.255) ( 0.00, 0.00, 0.00) 250: electro ( -0.066, -0.117, 0.141) ( -0.066, -0.117, 0.141) ( 0.00, 0.00, 0.00) 250: 8 ( -6.827, 14.475, 22.925) ( -6.821, 14.475, 22.975) ( 0.08, 0.00, 0.22) 250: bond ( 11.385, -12.341, -10.198) ( 11.388, -12.332, -10.191) ( 0.03, 0.07, 0.07) 250: angle (-32.172, 28.633, 36.543) (-32.169, 28.635, 36.546) ( 0.01, 0.01, 0.01) 250: strbnd ( 23.556, -6.610, -5.451) ( 23.555, -6.611, -5.452) ( 0.00, 0.02, 0.02) 250: torsion ( 0.338, -1.851, 0.344) ( 0.338, -1.851, 0.344) ( 0.00, 0.00, 0.00) 250: oop ( -0.005, 0.056, -0.231) ( -0.004, 0.046, -0.190) ( 0.00, 0.06, 0.96) 250: vdw ( 1.478, 1.254, 4.534) ( 1.478, 1.254, 4.535) ( 0.01, 0.00, 0.00) 250: electro (-11.406, 5.334, -2.617) (-11.406, 5.334, -2.617) ( 0.00, 0.00, 0.00) 250: 9 ( 5.719, -19.054, -11.028) ( 5.721, -19.052, -11.021) ( 0.03, 0.01, 0.06) 250: bond ( 1.485, 1.600, -4.386) ( 1.486, 1.600, -4.380) ( 0.05, 0.05, 0.14) 250: angle ( 5.763, -17.078, -4.285) ( 5.764, -17.078, -4.285) ( 0.01, 0.00, 0.00) 250: strbnd ( -0.447, -2.536, 3.420) ( -0.447, -2.536, 3.420) ( 0.00, 0.00, 0.00) 250: torsion ( 0.480, 0.079, 0.191) ( 0.480, 0.079, 0.191) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.856, 0.959, 2.952) ( 1.856, 0.959, 2.952) ( 0.00, 0.00, 0.00) 250: electro ( -3.417, -2.078, -8.920) ( -3.417, -2.078, -8.920) ( 0.00, 0.00, 0.00) 250: 10 ( 10.482, -6.063, -18.767) ( 10.483, -6.056, -18.766) ( 0.01, 0.12, 0.01) 250: bond ( 0.309, -3.128, 0.485) ( 0.309, -3.121, 0.485) ( 0.00, 0.24, 0.01) 250: angle ( 15.756, -0.811, -15.260) ( 15.757, -0.811, -15.259) ( 0.00, 0.00, 0.01) 250: strbnd ( 0.664, 2.939, -1.490) ( 0.664, 2.939, -1.490) ( 0.00, 0.00, 0.00) 250: torsion ( -1.106, -0.157, -0.307) ( -1.106, -0.157, -0.307) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.387, 3.365, 2.847) ( -2.387, 3.365, 2.847) ( 0.00, 0.00, 0.00) 250: electro ( -2.755, -8.271, -5.043) ( -2.755, -8.271, -5.043) ( 0.00, 0.00, 0.00) 250: 11 (-10.638, -8.900, -5.709) (-10.635, -8.866, -5.820) ( 0.03, 0.38, 1.94) 250: bond ( -6.709, 1.922, 1.059) ( -6.705, 1.927, 1.060) ( 0.06, 0.26, 0.04) 250: angle ( 24.355, -15.184, -15.338) ( 24.357, -15.182, -15.338) ( 0.01, 0.01, 0.00) 250: strbnd (-18.936, 1.986, 0.297) (-18.936, 1.986, 0.297) ( 0.00, 0.00, 0.00) 250: torsion ( 0.305, -0.296, 4.647) ( 0.305, -0.296, 4.648) ( 0.00, 0.00, 0.02) 250: oop ( 0.009, -0.160, 0.679) ( 0.007, -0.133, 0.566) ( 0.00, 0.43, 7.65) 250: vdw ( -9.578, 2.904, 3.010) ( -9.577, 2.904, 3.010) ( 0.00, 0.00, 0.00) 250: electro ( -0.085, -0.071, -0.064) ( -0.085, -0.071, -0.064) ( 0.00, 0.00, 0.00) 250: 12 (-21.260, -0.793, -2.235) (-21.252, -0.800, -2.173) ( 0.04, 0.56, 2.79) 252: torsion ( 0.144, -0.049, -1.174) ( 0.144, -0.049, -1.173) ( 0.00, 0.00, 0.02) 252: oop ( -0.036, 0.013, 0.294) ( -0.031, 0.011, 0.258) ( 0.02, 0.00, 1.06) 252: vdw (-11.558, -6.965, 1.339) (-11.558, -6.965, 1.339) ( 0.00, 0.00, 0.00) 252: electro ( 0.027, 1.039, -0.487) ( 0.027, 1.039, -0.487) ( 0.00, 0.00, 0.00) 252: 35 ( -7.756, 8.365, -1.689) ( -7.753, 8.368, -1.689) ( 0.05, 0.03, 0.01) 252: bond ( 0.234, 0.187, 0.015) ( 0.238, 0.189, 0.015) ( 0.08, 0.04, 0.00) 252: angle ( -9.135, 11.640, -1.684) ( -9.135, 11.640, -1.684) ( 0.00, 0.00, 0.00) 252: strbnd ( -1.252, -0.773, -0.092) ( -1.252, -0.773, -0.092) ( 0.00, 0.00, 0.00) 252: torsion ( 0.050, -0.027, -0.452) ( 0.050, -0.027, -0.452) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.204, 0.155, -0.034) ( -0.204, 0.155, -0.034) ( 0.00, 0.00, 0.00) 252: electro ( 2.552, -2.816, 0.559) ( 2.552, -2.816, 0.559) ( 0.00, 0.00, 0.00) 252: 36 ( -0.111, 1.138, 0.003) ( -0.104, 1.142, 0.008) ( 0.07, 0.35, 0.00) 252: bond ( 1.340, -4.011, -2.272) ( 1.346, -4.008, -2.268) ( 0.45, 0.07, 0.18) 252: angle ( -1.289, 0.664, 1.982) ( -1.288, 0.666, 1.984) ( 0.08, 0.10, 0.10) 252: strbnd ( 0.232, -0.792, 0.487) ( 0.231, -0.793, 0.486) ( 0.02, 0.03, 0.03) 252: torsion ( -1.155, 0.195, -0.282) ( -1.155, 0.195, -0.282) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.717, 5.471, 0.093) ( 0.717, 5.471, 0.093) ( 0.00, 0.00, 0.00) 252: electro ( 0.045, -0.389, -0.005) ( 0.045, -0.389, -0.005) ( 0.00, 0.00, 0.00) 252: 37 ( -0.129, 0.971, 0.072) ( -0.124, 0.976, 0.078) ( 0.06, 0.47, 0.05) 252: bond ( 1.435, -3.700, -1.718) ( 1.438, -3.696, -1.713) ( 0.27, 0.10, 0.31) 252: angle ( 0.328, 0.545, 0.556) ( 0.329, 0.546, 0.558) ( 0.03, 0.08, 0.12) 252: strbnd ( -0.069, -0.300, 0.440) ( -0.069, -0.301, 0.439) ( 0.00, 0.01, 0.04) 252: torsion ( 0.956, 0.601, 0.479) ( 0.956, 0.601, 0.479) ( 0.01, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.832, 4.136, 0.355) ( -2.832, 4.136, 0.355) ( 0.00, 0.00, 0.00) 252: electro ( 0.053, -0.310, -0.040) ( 0.053, -0.310, -0.040) ( 0.00, 0.00, 0.00) 252: 38 ( 0.456, -0.099, 0.104) ( 0.457, -0.097, 0.106) ( 0.05, 0.01, 0.02) 252: bond ( 0.435, -0.767, 0.899) ( 0.435, -0.766, 0.901) ( 0.02, 0.11, 0.17) 252: angle ( 0.496, 0.229, -0.045) ( 0.496, 0.229, -0.045) ( 0.03, 0.00, 0.00) 252: strbnd ( -0.157, 0.213, -0.446) ( -0.157, 0.213, -0.446) ( 0.00, 0.00, 0.00) 252: torsion ( 0.563, -0.012, -0.282) ( 0.563, -0.012, -0.283) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.724, 0.200, 0.015) ( -0.724, 0.200, 0.015) ( 0.00, 0.00, 0.00) 252: electro ( -0.156, 0.039, -0.036) ( -0.156, 0.039, -0.036) ( 0.00, 0.00, 0.00) 252: 39 ( 0.251, 0.090, -0.113) ( 0.254, 0.090, -0.111) ( 0.05, 0.01, 0.02) 252: bond ( 0.863, 0.325, -0.866) ( 0.864, 0.325, -0.865) ( 0.15, 0.01, 0.15) 252: angle ( 0.432, -1.789, -0.241) ( 0.433, -1.789, -0.241) ( 0.01, 0.02, 0.01) 252: strbnd ( -0.148, -0.179, 0.111) ( -0.148, -0.179, 0.111) ( 0.00, 0.00, 0.00) 252: torsion ( 0.500, -0.248, 0.406) ( 0.500, -0.248, 0.406) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.310, 2.013, 0.436) ( -1.310, 2.013, 0.436) ( 0.00, 0.00, 0.00) 252: electro ( -0.085, -0.032, 0.042) ( -0.085, -0.032, 0.042) ( 0.00, 0.00, 0.00) 252: 40 ( -0.318, -0.258, -0.145) ( -0.317, -0.256, -0.144) ( 0.04, 0.05, 0.02) 252: bond ( -0.592, -0.813, 0.455) ( -0.591, -0.811, 0.456) ( 0.06, 0.16, 0.03) 252: angle ( -0.349, 0.064, -0.339) ( -0.348, 0.064, -0.339) ( 0.01, 0.00, 0.02) 252: strbnd ( 0.254, 0.177, -0.194) ( 0.254, 0.177, -0.194) ( 0.00, 0.00, 0.00) 252: torsion ( -0.231, -0.135, -0.540) ( -0.231, -0.135, -0.540) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.504, 0.376, 0.413) ( 0.504, 0.376, 0.413) ( 0.00, 0.00, 0.00) 252: electro ( 0.096, 0.073, 0.060) ( 0.096, 0.073, 0.060) ( 0.00, 0.00, 0.00) 252: 41 ( -0.173, 0.248, -0.228) ( -0.172, 0.248, -0.225) ( 0.01, 0.01, 0.08) 252: bond ( -0.265, 0.213, -1.387) ( -0.265, 0.213, -1.384) ( 0.00, 0.00, 0.25) 252: angle ( -0.002, -0.794, -0.122) ( -0.001, -0.793, -0.122) ( 0.00, 0.04, 0.00) 252: strbnd ( 0.104, -0.149, 0.254) ( 0.104, -0.149, 0.254) ( 0.00, 0.00, 0.00) 252: torsion ( -0.534, -0.473, 0.029) ( -0.534, -0.473, 0.029) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.465, 1.537, 0.914) ( 0.465, 1.537, 0.914) ( 0.00, 0.00, 0.00) 252: electro ( 0.059, -0.086, 0.083) ( 0.059, -0.086, 0.083) ( 0.00, 0.00, 0.00) 252: 42 ( -0.367, 0.133, 0.950) ( -0.366, 0.134, 0.953) ( 0.02, 0.01, 0.31) 252: bond ( -1.424, -0.121, 4.422) ( -1.424, -0.120, 4.425) ( 0.03, 0.00, 0.07) 252: angle ( 0.750, -1.072, 0.212) ( 0.750, -1.071, 0.212) ( 0.02, 0.08, 0.00) 252: strbnd ( 0.500, -0.190, -1.471) ( 0.500, -0.190, -1.471) ( 0.00, 0.00, 0.00) 252: torsion ( -0.246, 0.662, -0.061) ( -0.246, 0.662, -0.061) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.074, 0.895, -1.822) ( -0.074, 0.895, -1.822) ( 0.00, 0.00, 0.00) 252: electro ( 0.127, -0.042, -0.330) ( 0.127, -0.042, -0.330) ( 0.00, 0.00, 0.00) 252: ok 24 # gradients 252: ok 25 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: bond ( 1.922, 0.917, 0.032) ( 1.927, 0.922, 0.032) ( 0.28, 0.47, 0.00) 250: angle ( -9.984, 2.922, 1.064) ( -9.983, 2.923, 1.065) ( 0.02, 0.05, 0.01) 250: strbnd (-10.267, 7.335, 1.838) (-10.267, 7.335, 1.838) ( 0.00, 0.00, 0.00) 250: torsion ( -0.034, 0.453, -2.054) ( -0.034, 0.453, -2.053) ( 0.00, 0.00, 0.06) 250: oop ( -0.004, 0.086, -0.378) ( -0.003, 0.072, -0.317) ( 0.00, 0.12, 2.29) 250: vdw ( -6.756, -10.594, -1.657) ( -6.755, -10.594, -1.657) ( 0.00, 0.00, 0.00) 250: electro ( 3.862, -1.910, -1.080) ( 3.862, -1.910, -1.080) ( 0.00, 0.00, 0.00) 250: 13 ( 11.035, -18.539, -9.258) ( 11.043, -18.545, -9.206) ( 0.07, 0.03, 0.56) 250: bond ( 3.557, 7.206, 1.481) ( 3.562, 7.211, 1.482) ( 0.15, 0.07, 0.03) 250: angle ( 3.498, -21.802, -5.738) ( 3.500, -21.801, -5.738) ( 0.04, 0.01, 0.00) 250: strbnd ( 11.124, 5.598, 1.224) ( 11.124, 5.598, 1.224) ( 0.00, 0.00, 0.00) 250: torsion ( -0.010, 0.214, -0.783) ( -0.010, 0.214, -0.782) ( 0.00, 0.00, 0.10) 250: oop ( -0.007, 0.075, -0.292) ( -0.006, 0.062, -0.242) ( 0.00, 0.09, 1.46) 250: vdw ( -8.946, -9.231, -4.972) ( -8.946, -9.231, -4.972) ( 0.00, 0.00, 0.00) 250: electro ( 1.819, -0.598, -0.177) ( 1.819, -0.598, -0.177) ( 0.00, 0.00, 0.00) 250: 14 (-13.572, -2.062, 4.766) (-13.566, -2.037, 4.696) ( 0.04, 1.21, 1.46) 250: bond (-26.978, 13.126, 4.300) (-26.972, 13.131, 4.300) ( 0.02, 0.03, 0.01) 250: angle (-18.118, -9.493, 4.254) (-18.116, -9.491, 4.254) ( 0.01, 0.02, 0.00) 250: strbnd ( 29.827, -3.579, -1.396) ( 29.826, -3.579, -1.395) ( 0.00, 0.00, 0.01) 250: torsion ( -0.134, -1.037, 2.744) ( -0.134, -1.037, 2.746) ( 0.00, 0.01, 0.04) 250: oop ( 0.011, -0.106, 0.410) ( 0.009, -0.087, 0.339) ( 0.00, 0.20, 2.94) 250: vdw ( 1.699, -1.418, -5.301) ( 1.699, -1.418, -5.301) ( 0.01, 0.01, 0.00) 250: electro ( 0.121, 0.445, -0.246) ( 0.121, 0.445, -0.246) ( 0.00, 0.00, 0.00) 250: 15 ( 12.500, -13.787, -4.766) ( 12.462, -13.787, -4.588) ( 0.30, 0.01, 3.74) 250: bond ( -5.136, -10.558, -3.032) ( -5.131, -10.553, -3.032) ( 0.09, 0.04, 0.02) 250: angle ( 2.758, -11.175, 3.017) ( 2.760, -11.174, 3.017) ( 0.07, 0.02, 0.00) 250: strbnd ( 9.858, -2.806, -1.156) ( 9.859, -2.806, -1.156) ( 0.00, 0.00, 0.01) 250: torsion ( -0.006, 0.855, -3.398) ( -0.006, 0.855, -3.397) ( 0.00, 0.01, 0.04) 250: oop ( 0.274, 0.043, -1.066) ( 0.229, 0.036, -0.889) ( 1.23, 0.03, 16.55) 250: vdw ( 6.480, 9.337, 1.077) ( 6.480, 9.337, 1.077) ( 0.00, 0.00, 0.00) 250: electro ( -1.729, 0.517, -0.209) ( -1.729, 0.517, -0.209) ( 0.00, 0.00, 0.00) 250: 16 (-16.865, 18.909, 6.325) (-16.857, 18.931, 6.271) ( 0.04, 0.12, 0.85) 250: bond ( 8.237, -4.438, -0.410) ( 8.242, -4.433, -0.410) ( 0.06, 0.11, 0.02) 250: angle (-15.113, 19.214, 5.231) (-15.111, 19.215, 5.231) ( 0.01, 0.01, 0.00) 250: strbnd ( -4.665, -2.331, -0.554) ( -4.666, -2.331, -0.554) ( 0.00, 0.01, 0.00) 250: torsion ( 0.007, 0.399, -1.363) ( 0.007, 0.399, -1.362) ( 0.00, 0.00, 0.09) 250: oop ( -0.002, -0.093, 0.333) ( -0.001, -0.078, 0.278) ( 0.00, 0.14, 1.84) 250: vdw ( -7.680, 8.051, 3.527) ( -7.680, 8.051, 3.527) ( 0.00, 0.00, 0.00) 250: electro ( 2.351, -1.893, -0.439) ( 2.351, -1.893, -0.439) ( 0.00, 0.00, 0.00) 250: 17 ( -6.733, 21.609, 7.933) ( -6.728, 21.608, 7.955) ( 0.08, 0.00, 0.28) 250: bond ( 2.115, 1.161, -0.091) ( 2.119, 1.164, -0.091) ( 0.20, 0.31, 0.00) 250: angle ( 25.721, 28.686, 2.043) ( 25.721, 28.687, 2.043) ( 0.00, 0.00, 0.01) 250: strbnd (-34.795, -0.918, 2.926) (-34.795, -0.918, 2.926) ( 0.00, 0.00, 0.01) 250: torsion ( 0.088, -0.609, 5.097) ( 0.088, -0.609, 5.098) ( 0.00, 0.00, 0.01) 250: oop ( -0.003, 0.029, -0.113) ( -0.002, 0.024, -0.092) ( 0.00, 0.02, 0.25) 252: 1 ( -0.279, -0.003, 0.123) ( -0.272, 0.001, 0.128) ( 0.21, 0.00, 0.06) 252: bond ( 0.405, 3.441, 0.242) ( 0.412, 3.445, 0.242) ( 0.28, 0.13, 0.00) 252: angle ( -0.409, 0.650, -0.195) ( -0.408, 0.652, -0.195) ( 0.06, 0.11, 0.00) 252: strbnd ( -0.322, -4.041, -0.254) ( -0.322, -4.042, -0.254) ( 0.01, 0.03, 0.00) 252: torsion ( -0.032, -0.018, 0.320) ( -0.032, -0.018, 0.321) ( 0.00, 0.00, 0.03) 252: oop ( 0.002, 0.001, -0.014) ( 0.001, 0.001, -0.011) ( 0.00, 0.00, 0.01) 252: vdw ( -0.047, -0.020, -0.019) ( -0.047, -0.020, -0.019) ( 0.00, 0.00, 0.00) 252: electro ( 0.124, -0.017, 0.043) ( 0.124, -0.017, 0.043) ( 0.00, 0.00, 0.00) 252: 2 ( 0.100, -0.168, -0.063) ( 0.104, -0.161, -0.045) ( 0.04, 0.12, 0.11) 252: bond ( 3.541, -2.137, 0.264) ( 3.546, -2.131, 0.265) ( 0.15, 0.30, 0.00) 252: angle ( 1.746, 1.275, 0.298) ( 1.748, 1.277, 0.298) ( 0.10, 0.14, 0.00) 252: strbnd ( -2.090, 1.285, -0.146) ( -2.091, 1.285, -0.146) ( 0.05, 0.01, 0.00) 252: torsion ( 0.033, 0.016, -0.297) ( 0.034, 0.016, -0.296) ( 0.00, 0.00, 0.04) 252: oop ( 0.010, 0.005, -0.088) ( 0.009, 0.004, -0.072) ( 0.00, 0.00, 0.14) 252: vdw ( -3.041, -0.539, -0.132) ( -3.041, -0.539, -0.132) ( 0.00, 0.00, 0.00) 252: electro ( -0.101, -0.072, 0.038) ( -0.101, -0.072, 0.038) ( 0.00, 0.00, 0.00) 252: 3 ( -1.433, 0.619, 0.080) ( -1.416, 0.635, -0.042) ( 1.17, 0.98, 0.97) 252: bond ( 10.808, 8.532, 1.851) ( 10.812, 8.538, 1.851) ( 0.04, 0.07, 0.01) 252: angle ( -1.280, -12.576, -1.628) ( -1.278, -12.574, -1.628) ( 0.16, 0.02, 0.03) 252: strbnd ( -2.662, -2.231, -0.989) ( -2.662, -2.232, -0.989) ( 0.02, 0.03, 0.01) 252: torsion ( -0.153, 0.061, 1.120) ( -0.153, 0.061, 1.121) ( 0.00, 0.00, 0.09) 252: oop ( -0.073, -0.051, 0.782) ( -0.062, -0.043, 0.659) ( 0.08, 0.04, 9.60) 252: vdw ( -8.513, 7.070, -1.049) ( -8.513, 7.070, -1.049) ( 0.00, 0.00, 0.00) 252: electro ( 0.441, -0.186, -0.007) ( 0.441, -0.186, -0.007) ( 0.00, 0.00, 0.00) 252: 4 ( 2.087, 0.080, -0.569) ( 2.064, 0.060, -0.243) ( 1.08, 0.16, 18.58) 252: bond ( 20.270, -4.350, 1.475) ( 20.275, -4.343, 1.476) ( 0.02, 0.15, 0.01) 252: angle ( 12.458, 12.739, 3.115) ( 12.460, 12.741, 3.115) ( 0.02, 0.01, 0.01) 252: strbnd (-17.883, -3.513, -1.809) (-17.884, -3.514, -1.809) ( 0.01, 0.03, 0.00) 252: torsion ( 0.036, 0.065, -1.684) ( 0.036, 0.065, -1.683) ( 0.00, 0.00, 0.04) 252: oop ( 0.171, 0.149, -1.871) ( 0.143, 0.122, -1.545) ( 0.48, 0.40, 17.39) 252: vdw (-12.241, -4.949, 0.142) (-12.241, -4.949, 0.142) ( 0.00, 0.00, 0.00) 252: electro ( -0.725, -0.061, 0.062) ( -0.725, -0.061, 0.062) ( 0.00, 0.00, 0.00) 252: 5 ( -2.687, -1.178, 0.039) ( -2.683, -1.173, 0.054) ( 0.13, 0.48, 0.06) 252: bond ( 1.518, -21.327, -9.249) ( 1.522, -21.323, -9.244) ( 0.25, 0.02, 0.05) 252: angle ( -8.489, 14.472, 7.087) ( -8.487, 14.475, 7.088) ( 0.02, 0.02, 0.02) 252: strbnd ( 11.557, 1.653, 2.302) ( 11.556, 1.652, 2.302) ( 0.01, 0.05, 0.02) 252: torsion ( -0.182, 0.061, -1.411) ( -0.182, 0.061, -1.410) ( 0.00, 0.00, 0.02) 252: oop ( 0.005, 0.003, -0.040) ( 0.004, 0.002, -0.031) ( 0.00, 0.00, 0.04) 252: vdw ( -7.969, 3.574, 1.404) ( -7.968, 3.574, 1.404) ( 0.00, 0.00, 0.00) 252: electro ( 0.873, 0.387, -0.055) ( 0.873, 0.387, -0.055) ( 0.00, 0.00, 0.00) 252: 6 ( 0.018, -0.397, 0.001) ( 0.029, -0.386, -0.079) ( 0.02, 0.42, 0.01) 252: bond ( -9.999, -4.566, -1.383) ( -9.996, -4.563, -1.383) ( 0.03, 0.06, 0.00) 252: angle ( 0.723, -4.226, -0.076) ( 0.723, -4.225, -0.077) ( 0.04, 0.03, 0.00) 252: strbnd ( 12.551, 6.889, 1.807) ( 12.551, 6.889, 1.807) ( 0.00, 0.01, 0.00) 250: vdw ( 0.333, -8.190, -5.814) ( 0.333, -8.190, -5.813) ( 0.00, 0.00, 0.00) 250: electro ( -0.192, 1.450, 3.884) ( -0.192, 1.450, 3.884) ( 0.00, 0.00, 0.00) 250: 18 ( 5.790, -10.626, -8.101) ( 5.796, -10.620, -8.095) ( 0.10, 0.05, 0.07) 250: bond ( 8.725, -11.934, -3.140) ( 8.729, -11.929, -3.136) ( 0.04, 0.04, 0.13) 250: angle ( -9.764, -7.159, -6.067) ( -9.762, -7.157, -6.065) ( 0.02, 0.03, 0.03) 250: strbnd ( -5.015, 10.337, 3.735) ( -5.015, 10.336, 3.735) ( 0.00, 0.02, 0.02) 250: torsion ( -0.197, 1.065, -2.228) ( -0.197, 1.065, -2.228) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 10.854, -1.808, 0.220) ( 10.854, -1.808, 0.220) ( 0.00, 0.00, 0.00) 250: electro ( 1.186, -1.127, -0.621) ( 1.186, -1.127, -0.621) ( 0.00, 0.00, 0.00) 250: 19 ( 3.262, -11.126, 7.782) ( 3.268, -11.121, 7.787) ( 0.17, 0.05, 0.06) 250: bond ( 1.121, -2.081, 3.281) ( 1.125, -2.077, 3.285) ( 0.37, 0.19, 0.12) 250: angle ( -4.420, -2.772, 7.469) ( -4.418, -2.771, 7.471) ( 0.04, 0.06, 0.02) 250: strbnd ( 0.275, 1.768, -3.446) ( 0.274, 1.768, -3.447) ( 0.01, 0.03, 0.03) 250: torsion ( 2.173, -4.215, -2.094) ( 2.173, -4.215, -2.094) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.113, -3.826, 2.573) ( 4.113, -3.826, 2.573) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 20 ( -6.870, 36.702, -5.681) ( -6.722, 36.693, -6.048) ( 2.15, 0.02, 6.46) 250: bond (-25.048, -5.303, -9.231) (-25.043, -5.295, -9.230) ( 0.02, 0.16, 0.01) 250: angle ( 27.154, 45.020, 3.962) ( 27.157, 45.022, 3.962) ( 0.01, 0.01, 0.00) 250: strbnd ( -8.325, 2.343, -3.287) ( -8.326, 2.342, -3.287) ( 0.01, 0.03, 0.00) 250: torsion ( -0.784, 0.421, 0.854) ( -0.784, 0.421, 0.855) ( 0.01, 0.00, 0.10) 250: oop ( -0.853, 0.117, 2.254) ( -0.713, 0.098, 1.885) (11.97, 0.23, 16.38) 250: vdw ( -7.531, -5.686, -2.010) ( -7.531, -5.686, -2.010) ( 0.00, 0.00, 0.00) 250: electro ( 8.518, -0.209, 1.778) ( 8.518, -0.209, 1.778) ( 0.00, 0.00, 0.00) 250: 21 (-22.969, 25.239, -11.051) (-22.997, 25.251, -10.962) ( 0.12, 0.05, 0.80) 250: bond ( 1.411, -0.192, 0.529) ( 1.413, -0.184, 0.530) ( 0.16, 0.16, 0.02) 250: angle (-46.884, 20.267, -18.839) (-46.882, 20.268, -18.839) ( 0.00, 0.00, 0.00) 250: strbnd ( 12.752, 3.510, 4.513) ( 12.751, 3.510, 4.513) ( 0.00, 0.00, 0.00) 250: torsion ( -0.598, 0.098, 1.696) ( -0.597, 0.098, 1.697) ( 0.01, 0.00, 0.05) 250: oop ( 0.246, -0.028, -0.654) ( 0.213, -0.025, -0.567) ( 0.80, 0.01, 5.70) 250: vdw ( 4.514, 7.067, -1.941) ( 4.514, 7.067, -1.941) ( 0.00, 0.00, 0.00) 250: electro ( 5.590, -5.484, 3.645) ( 5.590, -5.484, 3.645) ( 0.00, 0.00, 0.00) 250: 22 ( 25.973, -4.939, 11.390) ( 25.954, -4.927, 11.463) ( 0.08, 0.25, 0.64) 250: bond ( 5.877, -7.278, 2.737) ( 5.883, -7.273, 2.738) ( 0.10, 0.07, 0.03) 250: angle ( 43.794, -7.031, 17.104) ( 43.796, -7.028, 17.104) ( 0.00, 0.03, 0.00) 250: strbnd (-22.680, -3.722, -8.477) (-22.681, -3.722, -8.477) ( 0.00, 0.01, 0.00) 250: torsion ( 0.130, -0.036, -0.336) ( 0.130, -0.036, -0.335) ( 0.00, 0.00, 0.04) 250: oop ( 0.109, -0.020, -0.288) ( 0.082, -0.015, -0.218) ( 0.29, 0.01, 2.03) 250: vdw ( -2.056, 15.026, 0.263) ( -2.056, 15.026, 0.263) ( 0.00, 0.00, 0.00) 250: electro ( 0.800, -1.878, 0.388) ( 0.800, -1.878, 0.388) ( 0.00, 0.00, 0.00) 250: 23 (-28.137, -37.839, -8.334) (-28.148, -37.828, -8.283) ( 0.04, 0.03, 0.61) 250: bond ( -0.604, -30.983, 1.773) ( -0.599, -30.977, 1.774) ( 0.32, 0.02, 0.05) 252: torsion ( 0.080, 0.020, -0.668) ( 0.080, 0.020, -0.667) ( 0.00, 0.00, 0.01) 252: oop ( -0.057, -0.045, 0.532) ( -0.048, -0.038, 0.452) ( 0.05, 0.03, 4.28) 252: vdw ( -3.283, 1.455, -0.244) ( -3.283, 1.455, -0.244) ( 0.00, 0.00, 0.00) 252: electro ( 0.002, 0.077, 0.032) ( 0.002, 0.077, 0.032) ( 0.00, 0.00, 0.00) 252: 7 ( 3.021, 6.551, -0.598) ( 3.026, 6.556, -0.596) ( 0.16, 0.08, 0.15) 252: bond ( 10.203, 5.616, 25.277) ( 10.207, 5.620, 25.278) ( 0.04, 0.07, 0.00) 252: angle (-14.427, 4.571, -29.699) (-14.425, 4.572, -29.697) ( 0.01, 0.03, 0.01) 252: strbnd ( 1.147, -1.228, -0.703) ( 1.146, -1.229, -0.703) ( 0.05, 0.04, 0.03) 252: torsion ( 1.193, -0.605, -0.282) ( 1.193, -0.605, -0.282) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.912, 0.367, 4.636) ( 5.912, 0.367, 4.636) ( 0.00, 0.00, 0.00) 252: electro ( -1.008, -2.170, 0.172) ( -1.008, -2.170, 0.172) ( 0.00, 0.00, 0.00) 252: 8 ( -0.124, -0.019, -0.296) ( -0.123, -0.017, -0.295) ( 0.01, 0.01, 0.03) 252: bond ( -0.019, -0.836, 0.410) ( -0.019, -0.833, 0.411) ( 0.00, 0.23, 0.03) 252: angle ( 4.770, -0.609, -1.012) ( 4.771, -0.609, -1.012) ( 0.01, 0.01, 0.04) 252: strbnd ( 0.249, 0.128, -1.740) ( 0.249, 0.128, -1.740) ( 0.00, 0.00, 0.00) 252: torsion ( -0.173, -0.083, -0.176) ( -0.173, -0.083, -0.176) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.951, 1.380, 2.222) ( -4.951, 1.380, 2.222) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 9 ( -0.069, 0.131, -0.224) ( -0.068, 0.132, -0.221) ( 0.01, 0.01, 0.07) 252: bond ( -0.548, -0.489, -3.470) ( -0.548, -0.489, -3.467) ( 0.01, 0.00, 0.09) 252: angle ( 2.634, -1.083, -0.264) ( 2.635, -1.082, -0.264) ( 0.02, 0.05, 0.00) 252: strbnd ( 0.419, -1.396, 0.765) ( 0.419, -1.396, 0.765) ( 0.00, 0.00, 0.00) 252: torsion ( -0.167, -0.223, 0.058) ( -0.167, -0.223, 0.058) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.406, 3.323, 2.687) ( -2.406, 3.323, 2.687) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 10 ( 0.125, -1.325, 0.049) ( 0.131, -1.320, 0.054) ( 0.07, 0.40, 0.03) 252: bond (-15.381, 12.089, -12.058) (-15.377, 12.093, -12.053) ( 0.02, 0.04, 0.04) 252: angle ( 8.484, -11.406, 11.903) ( 8.487, -11.404, 11.904) ( 0.03, 0.02, 0.01) 252: strbnd ( 4.060, 9.673, 0.443) ( 4.059, 9.672, 0.443) ( 0.02, 0.01, 0.02) 252: torsion ( 1.330, -0.770, -1.490) ( 1.330, -0.769, -1.490) ( 0.01, 0.00, 0.01) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.699, -11.336, 1.328) ( 1.699, -11.336, 1.328) ( 0.01, 0.00, 0.00) 252: electro ( -0.066, 0.423, -0.077) ( -0.066, 0.423, -0.077) ( 0.00, 0.00, 0.00) 252: 11 ( 0.736, 2.170, -0.004) ( 0.752, 2.188, -0.139) ( 1.17, 0.84, 0.05) 252: bond ( 9.639, 15.878, 4.037) ( 9.642, 15.883, 4.041) ( 0.04, 0.03, 0.11) 252: angle ( -9.172, -2.161, -6.458) ( -9.170, -2.158, -6.456) ( 0.02, 0.11, 0.02) 252: strbnd ( 1.149, -6.264, -0.982) ( 1.147, -6.265, -0.982) ( 0.10, 0.02, 0.04) 252: torsion ( -0.350, -0.442, 3.225) ( -0.350, -0.442, 3.225) ( 0.00, 0.00, 0.00) 252: oop ( -0.054, -0.059, 0.659) ( -0.042, -0.046, 0.518) ( 0.06, 0.07, 9.28) 252: vdw ( -0.242, -4.058, -0.450) ( -0.242, -4.058, -0.450) ( 0.00, 0.00, 0.00) 252: electro ( -0.233, -0.725, -0.034) ( -0.233, -0.725, -0.034) ( 0.00, 0.00, 0.00) 252: 12 ( 0.007, 0.058, -0.013) ( 0.009, 0.059, -0.013) ( 0.00, 0.01, 0.00) 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 250: angle (-36.863, -14.117, -12.692) (-36.861, -14.115, -12.691) ( 0.01, 0.01, 0.00) 250: strbnd ( 7.549, 3.290, 2.655) ( 7.548, 3.290, 2.655) ( 0.01, 0.03, 0.01) 250: torsion ( 0.142, -0.020, -0.374) ( 0.142, -0.020, -0.373) ( 0.00, 0.00, 0.04) 250: oop ( 0.061, -0.009, -0.157) ( 0.042, -0.006, -0.109) ( 0.11, 0.00, 0.76) 250: vdw ( 4.758, 7.545, 1.424) ( 4.758, 7.546, 1.424) ( 0.00, 0.00, 0.00) 250: electro ( -3.179, -3.546, -0.964) ( -3.179, -3.546, -0.964) ( 0.00, 0.00, 0.00) 250: 24 (-10.644, 46.320, -7.304) (-10.601, 46.321, -7.383) ( 0.41, 0.00, 1.07) 250: bond ( -7.128, 36.476, -5.032) ( -7.118, 36.481, -5.030) ( 0.14, 0.02, 0.03) 250: angle ( 3.045, 5.260, 0.441) ( 3.047, 5.262, 0.441) ( 0.07, 0.05, 0.02) 250: strbnd ( 3.284, 4.936, 0.917) ( 3.283, 4.934, 0.917) ( 0.03, 0.02, 0.03) 250: torsion ( -0.033, -0.002, 0.110) ( -0.033, -0.002, 0.110) ( 0.00, 0.00, 0.01) 250: oop ( -0.164, 0.025, 0.425) ( -0.132, 0.020, 0.344) ( 0.53, 0.01, 3.44) 250: vdw ( 3.476, -4.869, 1.621) ( 3.476, -4.869, 1.621) ( 0.00, 0.00, 0.00) 250: electro (-13.123, 4.494, -5.786) (-13.123, 4.494, -5.786) ( 0.00, 0.00, 0.00) 250: 25 ( 2.890, -52.759, 7.938) ( 2.866, -52.746, 8.021) ( 0.81, 0.03, 1.05) 250: bond ( 8.283, 2.133, 2.726) ( 8.290, 2.140, 2.727) ( 0.08, 0.31, 0.03) 250: angle ( -6.422, -45.385, 1.001) ( -6.420, -45.383, 1.001) ( 0.02, 0.01, 0.03) 250: strbnd (-10.186, -7.939, -3.501) (-10.187, -7.938, -3.501) ( 0.00, 0.00, 0.00) 250: torsion ( 0.692, -0.055, -1.836) ( 0.692, -0.055, -1.835) ( 0.01, 0.00, 0.06) 250: oop ( 0.204, -0.021, -0.530) ( 0.173, -0.017, -0.449) ( 0.63, 0.01, 4.31) 250: vdw ( 8.959, -7.735, 8.017) ( 8.959, -7.735, 8.017) ( 0.00, 0.01, 0.00) 250: electro ( 1.360, 6.242, 2.061) ( 1.360, 6.242, 2.061) ( 0.00, 0.00, 0.00) 250: 26 (-24.717, -18.946, -4.036) (-24.728, -18.935, -3.986) ( 0.04, 0.06, 1.24) 250: bond (-24.696, 9.518, -10.388) (-24.690, 9.523, -10.387) ( 0.03, 0.05, 0.01) 250: angle ( -7.991, -22.014, -4.231) ( -7.989, -22.012, -4.230) ( 0.02, 0.01, 0.01) 250: strbnd ( 7.348, -6.906, 2.805) ( 7.348, -6.906, 2.805) ( 0.01, 0.01, 0.00) 250: torsion ( 0.081, -0.067, -0.270) ( 0.081, -0.067, -0.270) ( 0.00, 0.00, 0.02) 250: oop ( 0.110, -0.023, -0.279) ( 0.091, -0.019, -0.231) ( 0.20, 0.01, 1.33) 250: vdw ( 0.759, -0.386, 8.493) ( 0.759, -0.386, 8.493) ( 0.00, 0.00, 0.00) 250: electro ( -0.328, 0.932, -0.167) ( -0.328, 0.932, -0.167) ( 0.00, 0.00, 0.00) 250: 27 ( 43.032, 25.104, 14.730) ( 43.049, 25.107, 14.703) ( 0.04, 0.01, 0.19) 250: bond ( 18.803, -4.833, 7.511) ( 18.809, -4.830, 7.512) ( 0.03, 0.06, 0.01) 250: angle ( 18.124, 40.689, 3.688) ( 18.124, 40.692, 3.688) ( 0.00, 0.01, 0.00) 250: strbnd ( 3.463, -10.759, 2.073) ( 3.463, -10.760, 2.073) ( 0.01, 0.01, 0.00) 250: torsion ( 0.026, -0.003, -0.071) ( 0.026, -0.003, -0.071) ( 0.00, 0.00, 0.00) 250: oop ( -0.076, 0.016, 0.200) ( -0.065, 0.014, 0.171) ( 0.09, 0.00, 0.58) 250: vdw ( 0.932, -1.439, 0.904) ( 0.932, -1.439, 0.904) ( 0.01, 0.00, 0.00) 250: electro ( 1.760, 1.432, 0.427) ( 1.760, 1.432, 0.427) ( 0.00, 0.00, 0.00) 250: 28 ( 11.894, -38.621, 7.172) ( 11.897, -38.613, 7.186) ( 0.02, 0.02, 0.20) 250: bond ( 10.457, 12.301, 2.949) ( 10.462, 12.307, 2.950) ( 0.05, 0.05, 0.03) 250: angle ( -9.168, -55.992, 0.592) ( -9.166, -55.990, 0.592) ( 0.03, 0.00, 0.03) 250: strbnd ( 10.254, 8.892, 3.121) ( 10.253, 8.891, 3.121) ( 0.01, 0.01, 0.00) 250: torsion ( -0.078, 0.016, 0.208) ( -0.078, 0.016, 0.209) ( 0.00, 0.00, 0.01) 250: oop ( 0.033, -0.007, -0.088) ( 0.029, -0.006, -0.076) ( 0.02, 0.00, 0.11) 250: vdw ( 0.152, 1.397, -0.108) ( 0.152, 1.397, -0.108) ( 0.00, 0.00, 0.00) 252: bond ( -1.070, 0.929, 0.454) ( -1.069, 0.931, 0.454) ( 0.16, 0.12, 0.01) 252: angle ( 4.468, 5.608, -0.977) ( 4.468, 5.608, -0.977) ( 0.01, 0.01, 0.05) 252: strbnd ( 0.788, -0.295, -1.704) ( 0.788, -0.295, -1.704) ( 0.00, 0.00, 0.00) 252: torsion ( -0.551, -1.028, 0.811) ( -0.551, -1.028, 0.811) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.628, -5.157, 1.404) ( -3.628, -5.157, 1.404) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 ( -0.120, 0.039, -0.037) ( -0.119, 0.040, -0.033) ( 0.01, 0.00, 0.01) 252: bond ( -0.328, -0.292, -3.901) ( -0.328, -0.292, -3.897) ( 0.00, 0.00, 0.08) 252: angle ( -0.446, 1.585, -0.081) ( -0.446, 1.585, -0.081) ( 0.02, 0.04, 0.00) 252: strbnd ( -0.722, 1.212, 0.784) ( -0.722, 1.212, 0.784) ( 0.00, 0.00, 0.00) 252: torsion ( -0.435, 1.492, -0.075) ( -0.435, 1.492, -0.075) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.812, -3.957, 3.236) ( 1.812, -3.957, 3.236) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 14 ( 0.067, 0.147, -0.288) ( 0.068, 0.148, -0.285) ( 0.00, 0.01, 0.08) 252: bond ( -0.175, 1.062, 2.357) ( -0.175, 1.063, 2.360) ( 0.00, 0.05, 0.12) 252: angle ( -0.080, -0.961, 0.427) ( -0.080, -0.961, 0.427) ( 0.00, 0.04, 0.00) 252: strbnd ( 0.554, 0.475, -1.094) ( 0.554, 0.475, -1.094) ( 0.00, 0.00, 0.00) 252: torsion ( -0.550, 1.444, -0.691) ( -0.550, 1.444, -0.691) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.318, -1.873, -1.287) ( 0.318, -1.873, -1.287) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 15 ( 0.046, -0.135, -0.333) ( 0.047, -0.133, -0.331) ( 0.00, 0.03, 0.06) 252: bond ( 0.373, 1.480, -1.330) ( 0.373, 1.482, -1.328) ( 0.00, 0.12, 0.11) 252: angle ( -2.004, 0.579, 0.084) ( -2.004, 0.580, 0.085) ( 0.03, 0.01, 0.00) 252: strbnd ( 0.258, 0.339, 0.948) ( 0.258, 0.339, 0.948) ( 0.00, 0.00, 0.00) 252: torsion ( 0.462, -0.620, -0.562) ( 0.462, -0.620, -0.562) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.958, -1.914, 0.528) ( 0.958, -1.914, 0.528) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 16 ( 0.085, 0.267, 0.463) ( 0.090, 0.268, 0.460) ( 0.04, 0.03, 0.13) 252: bond ( 0.758, -0.200, 0.086) ( 0.762, -0.200, 0.086) ( 0.28, 0.01, 0.00) 252: angle ( 0.078, 0.315, 0.044) ( 0.078, 0.315, 0.044) ( 0.00, 0.02, 0.00) 252: strbnd ( -0.224, 0.410, -0.006) ( -0.224, 0.410, -0.006) ( 0.00, 0.00, 0.00) 252: torsion ( -0.053, -0.023, 0.416) ( -0.053, -0.023, 0.416) ( 0.00, 0.00, 0.01) 252: oop ( -0.002, -0.001, 0.014) ( -0.001, -0.001, 0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.370, -0.087, -0.051) ( -0.370, -0.087, -0.051) ( 0.00, 0.00, 0.00) 252: electro ( -0.102, -0.148, -0.039) ( -0.102, -0.148, -0.039) ( 0.00, 0.00, 0.00) 252: 17 ( 0.030, -0.337, 0.354) ( 0.031, -0.333, 0.349) ( 0.00, 0.14, 0.18) 252: bond ( 0.202, -2.402, -0.106) ( 0.202, -2.398, -0.106) ( 0.00, 0.16, 0.00) 252: angle ( 0.155, 0.010, 0.062) ( 0.156, 0.010, 0.062) ( 0.01, 0.00, 0.00) 252: strbnd ( 0.312, 1.242, 0.101) ( 0.312, 1.242, 0.101) ( 0.00, 0.00, 0.00) 252: torsion ( -0.037, -0.018, 0.329) ( -0.037, -0.018, 0.329) ( 0.00, 0.00, 0.01) 252: oop ( -0.003, -0.001, 0.025) ( -0.002, -0.001, 0.019) ( 0.00, 0.00, 0.01) 250: electro ( 0.245, -5.228, 0.497) ( 0.245, -5.228, 0.497) ( 0.00, 0.00, 0.00) 250: 29 ( 12.410, 3.420, 4.766) ( 12.399, 3.425, 4.814) ( 0.09, 0.14, 1.01) 250: bond ( 4.738, -2.006, 1.986) ( 4.745, -2.005, 1.987) ( 0.15, 0.06, 0.06) 250: angle ( 4.344, 11.246, 0.976) ( 4.344, 11.247, 0.976) ( 0.00, 0.01, 0.00) 250: strbnd ( 8.204, -1.157, 3.293) ( 8.204, -1.157, 3.293) ( 0.00, 0.02, 0.00) 250: torsion ( -0.049, 0.009, 0.126) ( -0.049, 0.009, 0.127) ( 0.00, 0.00, 0.00) 250: oop ( 0.076, -0.012, -0.195) ( 0.058, -0.009, -0.148) ( 0.14, 0.00, 0.91) 250: vdw ( -0.237, -3.506, 0.148) ( -0.237, -3.506, 0.148) ( 0.00, 0.00, 0.00) 250: electro ( -4.665, -1.154, -1.568) ( -4.665, -1.154, -1.568) ( 0.00, 0.00, 0.00) 250: 30 ( -0.901, 29.900, -2.380) ( -0.892, 29.905, -2.388) ( 0.85, 0.02, 0.32) 250: bond ( -4.277, 0.277, -1.598) ( -4.272, 0.282, -1.594) ( 0.12, 0.12, 0.27) 250: angle ( 12.189, 27.647, 2.441) ( 12.190, 27.649, 2.443) ( 0.02, 0.01, 0.06) 250: strbnd (-12.899, -0.004, -4.802) (-12.901, -0.005, -4.803) ( 0.02, 0.00, 0.01) 250: torsion ( -0.029, -0.010, 0.078) ( -0.029, -0.010, 0.078) ( 0.00, 0.00, 0.00) 250: oop ( -0.021, 0.004, 0.055) ( -0.016, 0.003, 0.042) ( 0.01, 0.00, 0.07) 250: vdw ( 2.572, 3.686, 0.693) ( 2.572, 3.686, 0.693) ( 0.00, 0.00, 0.00) 250: electro ( 1.563, -1.700, 0.754) ( 1.563, -1.700, 0.754) ( 0.00, 0.00, 0.00) 250: 31 ( -2.541, -1.390, 5.410) ( -2.521, -1.388, 5.379) ( 0.76, 0.19, 0.57) 250: bond ( 2.316, -1.013, 0.462) ( 2.320, -1.009, 0.466) ( 0.17, 0.39, 0.18) 250: angle ( -1.033, -3.283, 3.719) ( -1.030, -3.281, 3.721) ( 0.20, 0.06, 0.05) 250: strbnd ( -1.912, 0.920, -0.790) ( -1.913, 0.919, -0.791) ( 0.04, 0.06, 0.08) 250: torsion ( -0.089, 0.197, 0.525) ( -0.089, 0.197, 0.525) ( 0.00, 0.00, 0.01) 250: oop ( -0.059, 0.012, 0.150) ( -0.045, 0.010, 0.114) ( 0.08, 0.00, 0.53) 250: vdw ( -0.575, 2.524, 1.662) ( -0.575, 2.524, 1.662) ( 0.00, 0.00, 0.00) 250: electro ( -1.188, -0.749, -0.319) ( -1.188, -0.749, -0.319) ( 0.00, 0.00, 0.00) 250: 32 ( -0.533, 9.885, -5.279) ( -0.528, 9.891, -5.275) ( 0.30, 0.05, 0.09) 250: bond ( -0.397, 0.967, 0.156) ( -0.393, 0.971, 0.160) ( 0.16, 0.37, 0.06) 250: angle ( 1.310, 8.321, -3.491) ( 1.312, 8.323, -3.489) ( 0.14, 0.02, 0.06) 250: strbnd ( 0.932, -1.664, -0.673) ( 0.932, -1.665, -0.674) ( 0.03, 0.04, 0.07) 250: torsion ( -1.283, 1.507, 0.186) ( -1.282, 1.508, 0.186) ( 0.01, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.096, 0.754, -1.457) ( -1.096, 0.754, -1.457) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 33 ( -0.762, -6.186, -6.819) ( -0.756, -6.181, -6.814) ( 0.42, 0.08, 0.08) 250: bond ( -0.257, 0.740, -0.064) ( -0.253, 0.744, -0.060) ( 0.11, 0.30, 0.03) 250: angle ( -0.057, -7.999, -0.743) ( -0.055, -7.998, -0.742) ( 0.01, 0.02, 0.13) 250: strbnd ( -0.135, 0.372, 0.957) ( -0.135, 0.371, 0.957) ( 0.01, 0.03, 0.07) 250: torsion ( 0.594, 0.454, -0.563) ( 0.594, 0.454, -0.563) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.907, 0.247, -6.406) ( -0.907, 0.247, -6.406) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 34 ( 3.845, -11.220, 1.372) ( 3.846, -11.218, 1.373) ( 0.03, 0.02, 0.05) 250: bond ( 5.169, -14.116, 0.695) ( 5.169, -14.113, 0.695) ( 0.01, 0.02, 0.01) 250: angle ( 3.342, 1.196, -0.586) ( 3.343, 1.196, -0.585) ( 0.02, 0.01, 0.03) 250: strbnd ( -1.346, -0.265, -0.102) ( -1.346, -0.265, -0.102) ( 0.00, 0.00, 0.00) 252: vdw ( -0.532, 0.720, -0.009) ( -0.532, 0.720, -0.009) ( 0.00, 0.00, 0.00) 252: electro ( -0.067, 0.112, -0.048) ( -0.067, 0.112, -0.048) ( 0.00, 0.00, 0.00) 252: 18 ( 0.234, 1.955, -3.552) ( 0.255, 1.935, -3.562) ( 0.49, 1.01, 0.28) 252: bond ( -6.379, 0.928, -24.889) ( -6.375, 0.931, -24.885) ( 0.06, 0.30, 0.02) 252: angle ( 9.056, 0.616, 23.534) ( 9.058, 0.619, 23.536) ( 0.02, 0.14, 0.01) 252: strbnd ( -5.196, -2.586, -0.461) ( -5.197, -2.587, -0.462) ( 0.03, 0.04, 0.02) 252: torsion ( 1.569, -1.208, 0.648) ( 1.569, -1.208, 0.648) ( 0.00, 0.01, 0.00) 252: oop ( -0.120, 0.144, 0.106) ( -0.104, 0.120, 0.090) ( 0.19, 0.35, 0.17) 252: vdw ( 1.409, 4.724, -3.655) ( 1.409, 4.724, -3.655) ( 0.01, 0.00, 0.00) 252: electro ( -0.105, -0.663, 1.165) ( -0.105, -0.663, 1.165) ( 0.00, 0.00, 0.00) 252: 19 ( 0.354, 2.120, 0.056) ( 0.365, 2.131, 0.061) ( 0.39, 0.51, 0.03) 252: bond ( -2.284, 1.490, -1.564) ( -2.281, 1.492, -1.560) ( 0.13, 0.13, 0.31) 252: angle ( -1.097, -5.742, -2.880) ( -1.096, -5.741, -2.878) ( 0.12, 0.02, 0.06) 252: strbnd ( 3.814, -3.033, 2.137) ( 3.814, -3.033, 2.137) ( 0.01, 0.00, 0.01) 252: torsion ( 0.420, 0.671, -0.162) ( 0.420, 0.672, -0.162) ( 0.02, 0.04, 0.00) 252: oop ( -0.056, -0.065, 0.006) ( -0.050, -0.058, 0.005) ( 0.04, 0.05, 0.00) 252: vdw ( -0.306, 9.504, 2.421) ( -0.306, 9.504, 2.421) ( 0.01, 0.00, 0.00) 252: electro ( -0.137, -0.705, 0.098) ( -0.137, -0.705, 0.098) ( 0.00, 0.00, 0.00) 252: 20 ( -4.758, -2.921, 1.091) ( -4.871, -2.872, 1.165) ( 2.36, 1.67, 6.80) 252: bond ( -2.231, -20.883, 8.347) ( -2.227, -20.877, 8.352) ( 0.15, 0.03, 0.06) 252: angle ( -4.426, 15.205, -3.475) ( -4.426, 15.207, -3.473) ( 0.02, 0.01, 0.05) 252: strbnd ( -4.771, -2.312, -7.995) ( -4.772, -2.313, -7.996) ( 0.01, 0.04, 0.02) 252: torsion ( -2.925, 0.824, 1.217) ( -2.924, 0.824, 1.217) ( 0.01, 0.00, 0.00) 252: oop ( 0.652, -0.226, -0.380) ( 0.536, -0.185, -0.311) ( 7.57, 0.92, 2.60) 252: vdw ( 7.151, 3.310, 3.612) ( 7.151, 3.310, 3.612) ( 0.00, 0.00, 0.00) 252: electro ( 1.791, 1.160, -0.235) ( 1.791, 1.160, -0.235) ( 0.00, 0.00, 0.00) 252: 21 ( -0.124, -0.034, 0.051) ( -0.123, -0.033, 0.055) ( 0.01, 0.00, 0.02) 252: bond ( -0.235, -0.308, -2.219) ( -0.235, -0.308, -2.216) ( 0.00, 0.00, 0.15) 252: angle ( 4.698, -5.851, 0.315) ( 4.699, -5.850, 0.315) ( 0.01, 0.01, 0.00) 252: strbnd ( -0.581, -0.336, 1.443) ( -0.581, -0.336, 1.443) ( 0.00, 0.00, 0.00) 252: torsion ( -1.301, 0.144, 0.118) ( -1.301, 0.144, 0.118) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.704, 6.318, 0.395) ( -2.704, 6.318, 0.395) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 ( -1.234, 0.590, 0.291) ( -1.240, 0.580, 0.298) ( 0.44, 0.58, 0.20) 252: bond ( 7.110, -5.000, 16.974) ( 7.113, -4.998, 16.979) ( 0.05, 0.04, 0.03) 252: angle ( -2.542, 1.862, -6.168) ( -2.541, 1.862, -6.166) ( 0.04, 0.04, 0.03) 252: strbnd ( -2.998, 2.586, 2.923) ( -2.998, 2.586, 2.923) ( 0.00, 0.00, 0.01) 252: torsion ( 0.187, 0.206, 0.004) ( 0.187, 0.207, 0.004) ( 0.01, 0.02, 0.00) 252: oop ( 0.071, 0.090, -0.001) ( 0.060, 0.076, -0.000) ( 0.07, 0.12, 0.00) 252: vdw ( -3.409, 1.113, -13.213) ( -3.409, 1.113, -13.213) ( 0.00, 0.01, 0.00) 252: electro ( 0.348, -0.267, -0.229) ( 0.348, -0.267, -0.229) ( 0.00, 0.00, 0.00) 252: 23 ( -0.424, -0.244, -0.447) ( -0.417, -0.238, -0.440) ( 0.27, 0.14, 0.33) 252: bond ( -4.764, 3.427, 11.494) ( -4.760, 3.429, 11.499) ( 0.07, 0.06, 0.05) 250: torsion ( 0.449, 0.094, -1.417) ( 0.449, 0.094, -1.417) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.769, 1.870, 2.782) ( -3.769, 1.870, 2.782) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 35 ( 3.186, 4.348, -12.560) ( 3.187, 4.349, -12.557) ( 0.03, 0.02, 0.02) 250: bond ( 3.564, 5.536, -13.771) ( 3.564, 5.537, -13.769) ( 0.01, 0.01, 0.02) 250: angle ( 4.272, 0.896, 1.466) ( 4.273, 0.896, 1.466) ( 0.01, 0.04, 0.01) 250: strbnd ( -1.404, -0.280, 0.081) ( -1.404, -0.280, 0.081) ( 0.00, 0.00, 0.00) 250: torsion ( -0.176, -0.765, -0.353) ( -0.176, -0.765, -0.353) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -3.070, -1.039, 0.017) ( -3.070, -1.039, 0.017) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 36 ( 12.939, -0.809, 0.266) ( 12.942, -0.808, 0.266) ( 0.02, 0.05, 0.02) 250: bond ( 14.948, -0.872, -2.186) ( 14.951, -0.871, -2.186) ( 0.02, 0.01, 0.01) 250: angle ( -0.194, -0.295, -1.209) ( -0.194, -0.294, -1.209) ( 0.00, 0.01, 0.05) 250: strbnd ( -0.620, 0.104, 0.833) ( -0.620, 0.104, 0.833) ( 0.00, 0.00, 0.00) 250: torsion ( 0.055, 0.235, 0.284) ( 0.055, 0.235, 0.284) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.250, 0.018, 2.544) ( -1.250, 0.018, 2.544) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 37 ( -3.970, 10.635, 0.243) ( -3.969, 10.638, 0.244) ( 0.02, 0.03, 0.02) 250: bond ( -3.964, 14.301, -1.740) ( -3.964, 14.304, -1.740) ( 0.01, 0.02, 0.01) 250: angle ( 0.591, -0.040, -1.679) ( 0.592, -0.040, -1.678) ( 0.03, 0.00, 0.03) 250: strbnd ( 0.204, -0.463, 0.799) ( 0.204, -0.463, 0.799) ( 0.00, 0.00, 0.00) 250: torsion ( 1.285, 0.262, -0.775) ( 1.285, 0.262, -0.775) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.086, -3.424, 3.639) ( -2.086, -3.424, 3.639) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 38 ( -0.865, -4.190, 12.257) ( -0.865, -4.189, 12.259) ( 0.07, 0.02, 0.02) 250: bond ( -3.389, -5.369, 13.737) ( -3.388, -5.369, 13.739) ( 0.01, 0.01, 0.02) 250: angle ( -1.029, -0.520, -0.457) ( -1.029, -0.520, -0.457) ( 0.05, 0.02, 0.00) 250: strbnd ( 0.813, 0.452, -0.424) ( 0.813, 0.452, -0.424) ( 0.00, 0.00, 0.00) 250: torsion ( 0.168, 0.305, 0.160) ( 0.168, 0.305, 0.160) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.572, 0.942, -0.759) ( 2.572, 0.942, -0.759) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 39 ( -2.366, 11.043, -1.302) ( -2.365, 11.045, -1.301) ( 0.04, 0.02, 0.05) 250: bond ( -5.175, 13.998, -0.756) ( -5.174, 14.001, -0.756) ( 0.01, 0.02, 0.01) 250: angle ( -1.747, -0.629, 0.301) ( -1.746, -0.629, 0.301) ( 0.03, 0.00, 0.01) 250: strbnd ( 0.846, -0.285, 0.215) ( 0.846, -0.285, 0.215) ( 0.00, 0.00, 0.00) 250: torsion ( -0.933, -0.284, 1.129) ( -0.933, -0.284, 1.129) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 4.643, -1.758, -2.190) ( 4.643, -1.758, -2.190) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: angle ( 1.122, -0.757, 2.811) ( 1.123, -0.756, 2.813) ( 0.09, 0.04, 0.06) 252: strbnd ( 2.035, -1.610, -1.356) ( 2.035, -1.610, -1.356) ( 0.01, 0.01, 0.01) 252: torsion ( -0.226, -0.307, 0.011) ( -0.225, -0.307, 0.011) ( 0.01, 0.03, 0.00) 252: oop ( -0.009, -0.013, -0.000) ( -0.008, -0.010, -0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.387, -0.990, -13.718) ( 1.387, -0.990, -13.718) ( 0.00, 0.00, 0.00) 252: electro ( 0.030, 0.005, 0.311) ( 0.030, 0.005, 0.311) ( 0.00, 0.00, 0.00) 252: 24 ( 0.157, -0.217, -0.233) ( 0.172, -0.201, -0.226) ( 0.23, 0.34, 0.16) 252: bond ( -7.605, 5.610, 5.554) ( -7.601, 5.612, 5.560) ( 0.05, 0.04, 0.10) 252: angle ( -1.737, 1.343, 0.082) ( -1.736, 1.343, 0.083) ( 0.06, 0.05, 0.01) 252: strbnd ( 0.340, -0.282, -1.073) ( 0.340, -0.282, -1.073) ( 0.00, 0.00, 0.02) 252: torsion ( 0.141, 0.176, 0.004) ( 0.142, 0.177, 0.004) ( 0.01, 0.01, 0.00) 252: oop ( -0.055, -0.073, -0.001) ( -0.046, -0.061, -0.001) ( 0.05, 0.09, 0.00) 252: vdw ( 9.119, -7.021, -4.701) ( 9.119, -7.021, -4.701) ( 0.00, 0.00, 0.00) 252: electro ( -0.046, 0.030, -0.098) ( -0.046, 0.030, -0.098) ( 0.00, 0.00, 0.00) 252: 25 ( 0.454, 0.055, 0.715) ( 0.438, 0.032, 0.721) ( 0.74, 0.13, 0.46) 252: bond (-11.078, 8.736, -4.694) (-11.074, 8.738, -4.688) ( 0.03, 0.02, 0.12) 252: angle ( 1.300, -0.887, -3.803) ( 1.301, -0.886, -3.801) ( 0.08, 0.06, 0.05) 252: strbnd ( 1.316, -0.991, 0.244) ( 1.316, -0.991, 0.244) ( 0.01, 0.01, 0.00) 252: torsion ( -0.076, -0.091, 0.002) ( -0.076, -0.090, 0.002) ( 0.00, 0.01, 0.00) 252: oop ( 0.140, 0.179, 0.005) ( 0.119, 0.152, 0.004) ( 0.30, 0.49, 0.00) 252: vdw ( 8.950, -6.944, 9.005) ( 8.950, -6.943, 9.005) ( 0.00, 0.00, 0.00) 252: electro ( -0.098, 0.053, -0.044) ( -0.098, 0.053, -0.044) ( 0.00, 0.00, 0.00) 252: 26 ( 0.502, -0.688, -0.363) ( 0.560, -0.616, -0.355) ( 2.88, 4.96, 0.30) 252: bond ( -0.944, 0.846, -18.247) ( -0.940, 0.848, -18.243) ( 0.30, 0.17, 0.02) 252: angle ( 7.126, -5.296, 3.718) ( 7.127, -5.296, 3.720) ( 0.01, 0.01, 0.05) 252: strbnd ( -7.430, 5.904, 0.945) ( -7.430, 5.904, 0.944) ( 0.00, 0.00, 0.05) 252: torsion ( -0.866, -1.152, -0.063) ( -0.866, -1.152, -0.063) ( 0.03, 0.06, 0.00) 252: oop ( -0.313, -0.407, -0.015) ( -0.261, -0.338, -0.012) ( 1.66, 2.81, 0.00) 252: vdw ( 3.069, -0.873, 13.253) ( 3.069, -0.873, 13.253) ( 0.00, 0.00, 0.00) 252: electro ( -0.139, 0.290, 0.046) ( -0.139, 0.290, 0.046) ( 0.00, 0.00, 0.00) 252: 27 ( 1.281, -0.843, 0.502) ( 1.283, -0.843, 0.504) ( 0.11, 0.06, 0.10) 252: bond ( 2.446, -1.770, 2.501) ( 2.447, -1.769, 2.503) ( 0.06, 0.04, 0.06) 252: angle ( -1.543, 1.181, 2.343) ( -1.543, 1.181, 2.344) ( 0.01, 0.01, 0.02) 252: strbnd ( -1.339, 0.977, -0.789) ( -1.339, 0.977, -0.789) ( 0.00, 0.00, 0.00) 252: torsion ( 0.988, 1.336, -0.022) ( 0.988, 1.336, -0.022) ( 0.01, 0.02, 0.00) 252: oop ( 0.002, 0.003, -0.000) ( 0.002, 0.002, -0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.259, -2.708, -3.410) ( 1.260, -2.708, -3.410) ( 0.00, 0.00, 0.00) 252: electro ( -0.532, 0.139, -0.121) ( -0.532, 0.139, -0.121) ( 0.00, 0.00, 0.00) 252: 28 ( 0.659, 0.029, -0.865) ( 0.660, 0.029, -0.863) ( 0.05, 0.00, 0.16) 252: bond ( -1.791, 1.438, -1.751) ( -1.790, 1.439, -1.750) ( 0.08, 0.07, 0.08) 252: angle ( -0.694, 0.523, 1.139) ( -0.694, 0.523, 1.139) ( 0.01, 0.00, 0.04) 252: strbnd ( 0.572, -0.470, 0.906) ( 0.572, -0.470, 0.906) ( 0.00, 0.00, 0.00) 252: torsion ( 0.222, 0.282, 0.005) ( 0.222, 0.283, 0.005) ( 0.00, 0.01, 0.00) 252: oop ( 0.006, 0.008, 0.000) ( 0.005, 0.007, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.510, -1.901, -1.427) ( 2.510, -1.901, -1.427) ( 0.00, 0.00, 0.00) 250: 40 (-14.084, 0.166, 1.101) (-14.081, 0.167, 1.102) ( 0.02, 0.01, 0.07) 250: bond (-15.161, 0.766, 2.378) (-15.158, 0.766, 2.378) ( 0.02, 0.01, 0.01) 250: angle ( 0.632, -0.293, 4.123) ( 0.632, -0.293, 4.124) ( 0.00, 0.01, 0.01) 250: strbnd ( 0.268, 0.146, -1.361) ( 0.268, 0.146, -1.361) ( 0.00, 0.00, 0.00) 250: torsion ( -0.102, -0.786, -0.394) ( -0.102, -0.786, -0.394) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.279, 0.334, -3.644) ( 0.280, 0.334, -3.644) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 41 ( 4.171, -11.140, 1.325) ( 4.172, -11.137, 1.325) ( 0.02, 0.02, 0.06) 250: bond ( 4.150, -14.362, 1.795) ( 4.150, -14.360, 1.795) ( 0.01, 0.02, 0.01) 250: angle ( -1.040, 0.213, 4.111) ( -1.039, 0.213, 4.111) ( 0.04, 0.00, 0.01) 250: strbnd ( 0.104, 0.125, -1.337) ( 0.104, 0.125, -1.337) ( 0.00, 0.00, 0.00) 250: torsion ( -1.377, -0.373, 0.198) ( -1.377, -0.373, 0.198) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.335, 3.257, -3.441) ( 2.335, 3.257, -3.441) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 42 ( -4.567, 10.654, -2.215) ( -4.567, 10.656, -2.215) ( 0.02, 0.03, 0.03) 250: bond ( -3.731, 13.029, -0.572) ( -3.730, 13.032, -0.572) ( 0.01, 0.02, 0.00) 250: angle ( 1.346, 0.459, 1.669) ( 1.346, 0.459, 1.669) ( 0.03, 0.00, 0.03) 250: strbnd ( -0.246, -0.135, -0.322) ( -0.246, -0.135, -0.322) ( 0.00, 0.00, 0.00) 250: torsion ( -0.006, -0.001, 0.005) ( -0.006, -0.001, 0.005) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.931, -2.698, -2.995) ( -1.931, -2.698, -2.995) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 43 ( 11.621, -1.350, -2.700) ( 11.624, -1.349, -2.700) ( 0.03, 0.04, 0.02) 250: bond ( 13.434, -0.728, -1.655) ( 13.437, -0.728, -1.655) ( 0.02, 0.01, 0.01) 250: angle ( 0.239, -0.414, 2.123) ( 0.239, -0.413, 2.123) ( 0.00, 0.02, 0.02) 250: strbnd ( -0.632, -0.208, -0.263) ( -0.633, -0.208, -0.263) ( 0.00, 0.00, 0.00) 250: torsion ( -0.014, 0.348, -0.265) ( -0.014, 0.348, -0.265) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -1.406, -0.348, -2.640) ( -1.406, -0.348, -2.640) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 44 ( -3.360, -5.091, 10.354) ( -3.359, -5.090, 10.356) ( 0.02, 0.02, 0.03) 250: bond ( -2.735, -4.743, 12.407) ( -2.734, -4.742, 12.410) ( 0.01, 0.01, 0.02) 250: angle ( 2.115, 0.037, 0.480) ( 2.115, 0.037, 0.480) ( 0.02, 0.00, 0.00) 250: strbnd ( -0.131, -0.084, -0.698) ( -0.131, -0.084, -0.698) ( 0.00, 0.00, 0.00) 250: torsion ( -0.336, 0.257, 0.024) ( -0.336, 0.257, 0.024) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.272, -0.558, -1.860) ( -2.272, -0.558, -1.860) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 45 ( 6.016, 7.613, 2.296) ( 6.018, 7.618, 2.287) ( 0.03, 0.06, 0.41) 250: bond ( 9.306, 9.280, 2.085) ( 9.308, 9.282, 2.085) ( 0.02, 0.02, 0.01) 250: angle ( -0.825, 0.781, 0.202) ( -0.825, 0.782, 0.202) ( 0.03, 0.02, 0.00) 250: strbnd ( -0.536, -0.577, -0.147) ( -0.536, -0.577, -0.147) ( 0.00, 0.00, 0.00) 250: torsion ( -0.003, 0.038, -0.155) ( -0.003, 0.038, -0.155) ( 0.00, 0.00, 0.00) 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 252: electro ( -0.166, 0.148, 0.264) ( -0.166, 0.148, 0.264) ( 0.00, 0.00, 0.00) 252: 29 ( 0.611, 0.630, 0.735) ( 0.594, 0.607, 0.737) ( 1.08, 1.46, 0.11) 252: bond ( 0.302, -0.086, -3.852) ( 0.302, -0.086, -3.850) ( 0.00, 0.00, 0.06) 252: angle ( -6.191, 4.765, -0.593) ( -6.191, 4.765, -0.593) ( 0.00, 0.00, 0.00) 252: strbnd ( 0.076, 0.015, -2.804) ( 0.076, 0.015, -2.804) ( 0.00, 0.00, 0.00) 252: torsion ( 0.648, 0.848, 0.032) ( 0.648, 0.848, 0.032) ( 0.00, 0.01, 0.00) 252: oop ( 0.111, 0.143, 0.005) ( 0.093, 0.120, 0.005) ( 0.20, 0.34, 0.00) 252: vdw ( 5.741, -5.031, 8.170) ( 5.741, -5.031, 8.171) ( 0.00, 0.00, 0.00) 252: electro ( -0.075, -0.024, -0.223) ( -0.075, -0.024, -0.223) ( 0.00, 0.00, 0.00) 252: 30 ( -0.397, -0.419, 0.691) ( -0.398, -0.421, 0.695) ( 0.06, 0.10, 0.25) 252: bond ( -0.285, 0.192, 2.526) ( -0.284, 0.192, 2.529) ( 0.00, 0.00, 0.15) 252: angle ( 0.191, -0.141, 0.032) ( 0.191, -0.141, 0.032) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.092, 0.073, -0.831) ( -0.092, 0.073, -0.831) ( 0.00, 0.00, 0.00) 252: torsion ( -0.351, -0.466, -0.004) ( -0.351, -0.466, -0.004) ( 0.00, 0.01, 0.00) 252: oop ( 0.013, 0.017, 0.000) ( 0.011, 0.014, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.124, -0.078, -0.755) ( 0.124, -0.078, -0.755) ( 0.00, 0.00, 0.00) 252: electro ( 0.003, -0.015, -0.276) ( 0.003, -0.015, -0.276) ( 0.00, 0.00, 0.00) 252: 31 ( -0.704, 0.375, 0.383) ( -0.707, 0.370, 0.384) ( 0.17, 0.17, 0.04) 252: bond ( -1.807, 1.366, 0.917) ( -1.805, 1.368, 0.917) ( 0.11, 0.09, 0.05) 252: angle ( 0.005, 0.002, 0.007) ( 0.005, 0.002, 0.008) ( 0.00, 0.00, 0.00) 252: strbnd ( 0.452, -0.351, -0.140) ( 0.452, -0.351, -0.140) ( 0.00, 0.00, 0.00) 252: torsion ( -0.111, -0.144, -0.004) ( -0.110, -0.143, -0.004) ( 0.00, 0.00, 0.00) 252: oop ( 0.028, 0.036, 0.000) ( 0.023, 0.030, 0.000) ( 0.01, 0.02, 0.00) 252: vdw ( 0.558, -0.417, -0.304) ( 0.558, -0.417, -0.304) ( 0.00, 0.00, 0.00) 252: electro ( 0.170, -0.118, -0.094) ( 0.170, -0.118, -0.094) ( 0.00, 0.00, 0.00) 252: 32 ( 1.630, -4.947, 2.895) ( 1.690, -4.961, 2.864) ( 3.68, 0.29, 1.07) 252: bond ( -5.280, -7.572, -4.556) ( -5.277, -7.567, -4.554) ( 0.05, 0.06, 0.04) 252: angle ( -0.110, 0.279, -0.337) ( -0.110, 0.279, -0.337) ( 0.00, 0.01, 0.02) 252: strbnd ( 1.293, 1.229, 1.466) ( 1.293, 1.229, 1.466) ( 0.00, 0.01, 0.01) 252: torsion ( 1.739, -0.595, -1.027) ( 1.739, -0.595, -1.027) ( 0.00, 0.00, 0.00) 252: oop ( -0.260, 0.090, 0.151) ( -0.202, 0.070, 0.118) ( 1.49, 0.18, 0.50) 252: vdw ( 4.932, 0.142, 8.178) ( 4.933, 0.142, 8.178) ( 0.00, 0.00, 0.00) 252: electro ( -0.685, 1.480, -0.981) ( -0.685, 1.480, -0.981) ( 0.00, 0.00, 0.00) 252: 33 ( 0.265, -3.628, 2.174) ( 0.299, -3.635, 2.159) ( 0.90, 0.18, 0.67) 252: bond ( 4.715, 4.557, 6.062) ( 4.716, 4.560, 6.065) ( 0.02, 0.07, 0.06) 252: angle ( -7.689, -18.240, -5.025) ( -7.688, -18.238, -5.024) ( 0.01, 0.01, 0.01) 252: strbnd ( 3.295, -2.419, 7.181) ( 3.295, -2.419, 7.181) ( 0.00, 0.01, 0.00) 252: torsion ( -1.716, 0.412, 0.834) ( -1.716, 0.412, 0.834) ( 0.01, 0.00, 0.00) 252: oop ( -0.210, 0.072, 0.121) ( -0.178, 0.061, 0.103) ( 0.68, 0.08, 0.23) 252: vdw ( 1.937, 10.751, -6.247) ( 1.938, 10.752, -6.247) ( 0.00, 0.00, 0.00) 252: electro ( -0.069, 1.237, -0.752) ( -0.069, 1.237, -0.752) ( 0.00, 0.00, 0.00) 252: 34 ( -1.330, 1.205, -3.164) ( -1.324, 1.210, -3.159) ( 0.46, 0.42, 0.18) 252: bond ( -0.334, -4.761, 2.356) ( -0.329, -4.757, 2.361) ( 0.15, 0.10, 0.19) 252: angle ( 0.189, 3.946, 0.226) ( 0.190, 3.948, 0.228) ( 0.03, 0.05, 0.04) 252: strbnd ( 0.552, 0.973, 0.402) ( 0.551, 0.972, 0.402) ( 0.02, 0.16, 0.02) 250: oop ( 0.001, -0.014, 0.060) ( 0.001, -0.012, 0.050) ( 0.00, 0.00, 0.06) 250: vdw ( 0.608, -1.936, -0.168) ( 0.608, -1.936, -0.168) ( 0.00, 0.00, 0.00) 250: electro ( -2.535, 0.041, 0.419) ( -2.535, 0.041, 0.419) ( 0.00, 0.00, 0.00) 250: 46 ( -0.787, 8.785, 2.088) ( -0.787, 8.791, 2.076) ( 0.06, 0.07, 0.60) 250: bond ( -2.236, 11.174, 2.917) ( -2.236, 11.177, 2.918) ( 0.01, 0.03, 0.01) 250: angle ( 7.037, 1.340, 0.260) ( 7.038, 1.340, 0.260) ( 0.01, 0.00, 0.00) 250: strbnd ( 0.866, -2.736, -0.746) ( 0.866, -2.736, -0.746) ( 0.00, 0.00, 0.00) 250: torsion ( 0.005, -0.155, 0.595) ( 0.005, -0.155, 0.596) ( 0.00, 0.00, 0.02) 250: oop ( 0.002, -0.022, 0.087) ( 0.001, -0.019, 0.074) ( 0.00, 0.01, 0.11) 250: vdw ( -6.676, -0.740, -0.917) ( -6.676, -0.740, -0.917) ( 0.00, 0.00, 0.00) 250: electro ( 0.216, -0.076, -0.108) ( 0.216, -0.076, -0.108) ( 0.00, 0.00, 0.00) 250: 47 ( 3.539, -5.729, -2.999) ( 3.540, -5.736, -2.962) ( 0.03, 0.12, 1.22) 250: bond ( 3.394, -11.784, -3.276) ( 3.394, -11.781, -3.275) ( 0.01, 0.03, 0.01) 250: angle ( 2.930, 0.813, 0.113) ( 2.931, 0.813, 0.113) ( 0.02, 0.00, 0.00) 250: strbnd ( -0.210, 2.122, 0.663) ( -0.210, 2.122, 0.663) ( 0.00, 0.00, 0.00) 250: torsion ( -0.017, 0.295, -1.081) ( -0.017, 0.295, -1.080) ( 0.00, 0.00, 0.03) 250: oop ( -0.001, 0.065, -0.234) ( -0.001, 0.055, -0.198) ( 0.00, 0.06, 0.85) 250: vdw ( -3.105, 0.175, 0.934) ( -3.105, 0.175, 0.934) ( 0.01, 0.00, 0.00) 250: electro ( 0.548, 2.584, -0.118) ( 0.548, 2.584, -0.118) ( 0.00, 0.00, 0.00) 250: 48 (-12.816, -1.854, 2.520) (-12.814, -1.854, 2.521) ( 0.02, 0.04, 0.03) 250: bond (-14.576, -0.381, 3.434) (-14.573, -0.381, 3.434) ( 0.02, 0.00, 0.01) 250: angle ( 0.009, -1.112, -0.086) ( 0.009, -1.111, -0.085) ( 0.00, 0.06, 0.00) 250: strbnd ( 1.318, -0.737, -0.196) ( 1.318, -0.737, -0.196) ( 0.00, 0.00, 0.00) 250: torsion ( 0.019, 0.024, 0.082) ( 0.019, 0.024, 0.082) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.413, 0.351, -0.714) ( 0.413, 0.351, -0.714) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 49 ( 5.085, 1.582, 9.404) ( 5.086, 1.583, 9.406) ( 0.02, 0.07, 0.02) 250: bond ( 5.282, 5.246, 8.963) ( 5.283, 5.247, 8.965) ( 0.01, 0.01, 0.02) 250: angle ( -6.276, 0.410, 3.458) ( -6.276, 0.410, 3.458) ( 0.01, 0.02, 0.01) 250: strbnd ( 0.301, -0.757, 0.046) ( 0.301, -0.757, 0.046) ( 0.00, 0.00, 0.00) 250: torsion ( -0.066, 0.065, 0.001) ( -0.066, 0.065, 0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 5.844, -3.382, -3.063) ( 5.844, -3.382, -3.063) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 50 ( -4.133, 12.029, -0.342) ( -4.132, 12.031, -0.341) ( 0.02, 0.02, 0.02) 250: bond ( -5.002, 12.797, 0.970) ( -5.002, 12.800, 0.970) ( 0.01, 0.02, 0.01) 250: angle ( 0.821, 0.446, -1.651) ( 0.821, 0.446, -1.650) ( 0.03, 0.00, 0.03) 250: strbnd ( 0.347, -0.722, -0.122) ( 0.347, -0.722, -0.122) ( 0.00, 0.00, 0.00) 250: torsion ( -0.174, -0.064, -0.056) ( -0.174, -0.064, -0.056) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.125, -0.429, 0.516) ( -0.125, -0.429, 0.516) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 51 ( 12.057, 2.405, -2.800) ( 12.060, 2.406, -2.799) ( 0.02, 0.02, 0.03) 250: bond ( 11.866, 0.949, -3.585) ( 11.869, 0.949, -3.584) ( 0.02, 0.01, 0.01) 252: torsion ( 1.469, -0.111, -0.152) ( 1.469, -0.111, -0.152) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.779, 1.527, -7.078) ( -3.779, 1.527, -7.078) ( 0.00, 0.00, 0.00) 252: electro ( 0.573, -0.371, 1.082) ( 0.573, -0.371, 1.082) ( 0.00, 0.00, 0.00) 252: 35 ( 0.303, 0.212, 0.053) ( 0.304, 0.213, 0.055) ( 0.04, 0.01, 0.01) 252: bond ( 0.249, 0.013, 0.448) ( 0.250, 0.013, 0.451) ( 0.02, 0.00, 0.12) 252: angle ( 0.291, 0.661, -0.181) ( 0.291, 0.662, -0.181) ( 0.01, 0.04, 0.00) 252: strbnd ( -0.215, -0.451, -0.159) ( -0.215, -0.451, -0.159) ( 0.00, 0.00, 0.00) 252: torsion ( 0.017, -0.004, -0.009) ( 0.017, -0.004, -0.009) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.039, -0.007, -0.046) ( -0.039, -0.007, -0.046) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 36 ( 0.432, 0.172, 0.118) ( 0.434, 0.174, 0.120) ( 0.05, 0.03, 0.02) 252: bond ( 0.425, -0.592, -0.547) ( 0.425, -0.590, -0.545) ( 0.03, 0.08, 0.07) 252: angle ( 1.840, -0.935, 2.446) ( 1.841, -0.935, 2.446) ( 0.02, 0.03, 0.01) 252: strbnd ( 0.155, -0.679, -0.026) ( 0.155, -0.679, -0.026) ( 0.00, 0.00, 0.00) 252: torsion ( -0.272, -0.056, -0.151) ( -0.272, -0.056, -0.151) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.715, 2.434, -1.604) ( -1.715, 2.434, -1.604) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 37 ( 0.355, -0.026, 0.062) ( 0.358, -0.025, 0.062) ( 0.11, 0.00, 0.00) 252: bond ( -0.517, -0.155, 0.092) ( -0.514, -0.155, 0.092) ( 0.16, 0.00, 0.00) 252: angle ( 0.968, -1.352, 3.151) ( 0.969, -1.351, 3.152) ( 0.01, 0.04, 0.01) 252: strbnd ( -0.412, -0.566, 0.270) ( -0.412, -0.566, 0.270) ( 0.00, 0.00, 0.00) 252: torsion ( -0.011, -0.098, -0.229) ( -0.011, -0.098, -0.229) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.326, 2.145, -3.222) ( 0.326, 2.145, -3.222) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 26 # gradients 252: ok 27 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 250: angle ( -1.377, 2.670, -3.852) ( -1.377, 2.670, -3.852) ( 0.00, 0.02, 0.01) 250: strbnd ( -0.478, -0.001, 0.072) ( -0.478, -0.001, 0.072) ( 0.00, 0.00, 0.00) 250: torsion ( 0.190, 2.069, 1.178) ( 0.190, 2.069, 1.178) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 1.856, -3.282, 3.388) ( 1.856, -3.282, 3.388) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 52 ( -7.404, -4.012, -9.315) ( -7.403, -4.011, -9.313) ( 0.02, 0.03, 0.02) 250: bond ( -6.876, -6.421, -10.083) ( -6.875, -6.420, -10.081) ( 0.01, 0.01, 0.02) 250: angle ( 0.750, 1.477, -1.453) ( 0.750, 1.478, -1.453) ( 0.03, 0.03, 0.02) 250: strbnd ( 0.385, 0.337, 0.420) ( 0.385, 0.337, 0.420) ( 0.00, 0.00, 0.00) 250: torsion ( -1.909, 1.279, 0.487) ( -1.909, 1.279, 0.487) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.246, -0.685, 1.314) ( 0.246, -0.685, 1.314) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 53 ( 15.405, -4.653, 1.433) ( 15.399, -4.646, 1.450) ( 0.04, 0.14, 1.21) 250: bond ( 1.222, -10.271, 1.446) ( 1.222, -10.266, 1.446) ( 0.00, 0.05, 0.00) 250: angle ( 5.790, 0.964, 1.949) ( 5.790, 0.964, 1.949) ( 0.01, 0.00, 0.01) 250: strbnd ( 0.388, -1.593, 0.291) ( 0.388, -1.593, 0.291) ( 0.00, 0.00, 0.00) 250: torsion ( 0.646, -0.155, -1.646) ( 0.647, -0.155, -1.645) ( 0.00, 0.00, 0.01) 250: oop ( 0.061, -0.014, -0.154) ( 0.054, -0.013, -0.138) ( 0.04, 0.00, 0.26) 250: vdw ( 4.608, 1.041, 2.666) ( 4.609, 1.041, 2.666) ( 0.00, 0.00, 0.00) 250: electro ( 2.690, 5.376, -3.118) ( 2.690, 5.375, -3.118) ( 0.00, 0.00, 0.00) 250: 54 ( -7.250, -11.027, -1.781) ( -7.249, -11.024, -1.781) ( 0.01, 0.03, 0.03) 250: bond ( -4.260, -12.234, -0.605) ( -4.260, -12.231, -0.605) ( 0.01, 0.02, 0.00) 250: angle ( -3.795, 1.395, -1.482) ( -3.795, 1.395, -1.482) ( 0.01, 0.01, 0.03) 250: strbnd ( -1.388, -0.259, -0.495) ( -1.388, -0.259, -0.495) ( 0.00, 0.00, 0.00) 250: torsion ( 0.002, -0.000, -0.006) ( 0.002, -0.000, -0.006) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.191, 0.071, 0.806) ( 2.191, 0.071, 0.806) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 55 (-10.238, 6.128, 6.355) (-10.237, 6.129, 6.357) ( 0.01, 0.02, 0.02) 250: bond ( -7.660, 6.780, 8.104) ( -7.659, 6.781, 8.105) ( 0.01, 0.01, 0.01) 250: angle ( -3.786, -2.269, -1.680) ( -3.786, -2.268, -1.680) ( 0.01, 0.01, 0.02) 250: strbnd ( -1.833, 0.486, 0.087) ( -1.833, 0.486, 0.087) ( 0.00, 0.00, 0.00) 250: torsion ( 0.000, 0.001, -0.001) ( 0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 3.040, 1.129, -0.155) ( 3.040, 1.129, -0.155) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 56 ( -3.327, 4.630, -12.310) ( -3.326, 4.631, -12.307) ( 0.02, 0.02, 0.02) 250: bond ( -0.179, 5.185, -12.000) ( -0.178, 5.185, -11.998) ( 0.00, 0.01, 0.02) 250: angle ( -3.994, -2.155, -0.872) ( -3.993, -2.155, -0.872) ( 0.01, 0.02, 0.01) 250: strbnd ( -1.307, 0.375, -1.326) ( -1.307, 0.375, -1.326) ( 0.00, 0.00, 0.00) 250: torsion ( -0.002, 0.012, 0.005) ( -0.002, 0.012, 0.005) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 2.154, 1.213, 1.884) ( 2.154, 1.213, 1.884) ( 0.00, 0.00, 0.00) 252: 1 ( -2.053, 0.415, -0.337) ( -2.105, 0.368, -0.075) ( 2.53, 1.96, 8.81) 252: bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02) 252: angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01) 252: strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00) 252: torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03) 252: oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87) 252: vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00) 252: electro ( 0.486, 0.087, 0.038) ( 0.486, 0.087, 0.038) ( 0.00, 0.00, 0.00) 252: 2 ( 0.088, 0.178, 0.659) ( 0.225, 0.295, 0.137) ( 1.20, 2.08, 34.38) 252: bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04) 252: angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00) 252: strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00) 252: torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03) 252: oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36) 252: vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00) 252: electro ( 0.052, -0.254, -0.057) ( 0.052, -0.254, -0.057) ( 0.00, 0.00, 0.00) 252: 3 ( 0.944, 1.074, 0.464) ( 0.859, 1.006, 0.824) ( 8.03, 6.34, 16.68) 252: bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02) 252: angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02) 252: strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00) 252: torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05) 252: oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96) 252: vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00) 252: electro ( -0.569, 0.038, -0.166) ( -0.569, 0.038, -0.166) ( 0.00, 0.00, 0.00) 252: 4 ( 0.427, -1.622, -0.238) ( 0.436, -1.613, -0.247) ( 0.36, 0.57, 0.21) 252: bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03) 252: angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02) 252: strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00) 252: torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07) 252: oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09) 252: vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00) 252: electro ( 0.349, 0.071, -0.029) ( 0.349, 0.071, -0.029) ( 0.00, 0.00, 0.00) 252: 5 ( -6.203, 2.397, 1.174) ( -6.193, 2.403, 1.165) ( 0.15, 0.28, 0.83) 252: bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01) 252: angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00) 252: strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01) 252: torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04) 252: oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09) 252: vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00) 252: electro ( -0.343, 0.567, -0.136) ( -0.343, 0.567, -0.136) ( 0.00, 0.00, 0.00) 252: 6 ( 1.625, -1.131, -0.206) ( 1.645, -1.109, -0.266) ( 1.28, 1.91, 1.23) 252: bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03) 252: angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02) 252: strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 57 ( -0.307, -9.122, -8.188) ( -0.306, -9.120, -8.187) ( 0.02, 0.02, 0.02) 250: bond ( 0.825, -11.920, -8.291) ( 0.825, -11.918, -8.290) ( 0.01, 0.02, 0.01) 250: angle ( 0.266, 0.885, -1.246) ( 0.266, 0.885, -1.246) ( 0.01, 0.02, 0.03) 250: strbnd ( 0.564, 0.787, 0.734) ( 0.564, 0.787, 0.734) ( 0.00, 0.00, 0.00) 250: torsion ( 0.170, -0.005, 0.024) ( 0.170, -0.005, 0.024) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.131, 1.130, 0.592) ( -2.131, 1.130, 0.592) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 58 ( 9.212, 6.945, -1.363) ( 9.214, 6.946, -1.362) ( 0.03, 0.02, 0.05) 250: bond ( 12.173, 6.773, -1.368) ( 12.175, 6.774, -1.368) ( 0.02, 0.01, 0.01) 250: angle ( 0.058, -0.350, -1.218) ( 0.058, -0.349, -1.217) ( 0.00, 0.01, 0.04) 250: strbnd ( -0.521, -1.011, 0.065) ( -0.521, -1.011, 0.065) ( 0.00, 0.00, 0.00) 250: torsion ( 0.181, -0.338, -0.064) ( 0.181, -0.338, -0.064) ( 0.00, 0.00, 0.00) 250: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -2.678, 1.870, 1.221) ( -2.678, 1.870, 1.222) ( 0.00, 0.00, 0.00) 250: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 59 (-10.799, -6.712, -0.430) (-10.797, -6.711, -0.429) ( 0.02, 0.02, 0.03) 250: bond (-12.830, -7.728, 1.306) (-12.828, -7.727, 1.306) ( 0.02, 0.01, 0.01) 250: angle ( 0.385, -0.545, 0.558) ( 0.385, -0.545, 0.558) ( 0.01, 0.02, 0.03) 250: strbnd ( 0.887, 0.269, 0.033) ( 0.887, 0.269, 0.033) ( 0.00, 0.00, 0.00) 250: torsion ( 0.569, -0.988, -0.256) ( 0.569, -0.988, -0.256) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.191, 2.279, -2.071) ( 0.191, 2.279, -2.071) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 60 ( 9.776, -8.215, 3.975) ( 9.777, -8.214, 3.976) ( 0.02, 0.02, 0.02) 250: bond ( 11.330, -9.354, 4.398) ( 11.332, -9.353, 4.398) ( 0.01, 0.01, 0.01) 250: angle ( -0.016, 0.054, 0.154) ( -0.015, 0.054, 0.155) ( 0.00, 0.00, 0.01) 250: strbnd ( -0.988, 0.483, -0.237) ( -0.988, 0.483, -0.237) ( 0.00, 0.00, 0.00) 250: torsion ( -0.315, -0.335, 0.099) ( -0.315, -0.335, 0.099) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.236, 0.937, -0.438) ( -0.236, 0.937, -0.438) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 61 ( -1.361, -1.860, 12.613) ( -1.360, -1.859, 12.616) ( 0.04, 0.04, 0.02) 250: bond ( -1.242, -3.974, 13.096) ( -1.242, -3.974, 13.099) ( 0.01, 0.01, 0.02) 250: angle ( -0.493, 2.159, 0.609) ( -0.492, 2.160, 0.609) ( 0.02, 0.02, 0.00) 250: strbnd ( 0.058, 0.509, -0.577) ( 0.058, 0.509, -0.577) ( 0.00, 0.00, 0.00) 250: torsion ( 0.242, -0.008, 0.020) ( 0.242, -0.008, 0.020) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.075, -0.546, -0.535) ( 0.075, -0.546, -0.535) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 62 ( 9.949, 7.205, -0.655) ( 9.951, 7.206, -0.654) ( 0.02, 0.02, 0.04) 250: bond ( 11.359, 7.334, -1.037) ( 11.361, 7.335, -1.037) ( 0.02, 0.01, 0.01) 250: angle ( -0.599, 1.148, 1.564) ( -0.599, 1.148, 1.564) ( 0.01, 0.03, 0.03) 250: strbnd ( -0.498, -0.036, 0.239) ( -0.498, -0.036, 0.239) ( 0.00, 0.00, 0.00) 250: torsion ( 0.089, -0.116, 0.153) ( 0.089, -0.116, 0.153) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( -0.402, -1.125, -1.573) ( -0.402, -1.125, -1.573) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: 63 ( -9.227, 7.918, -3.842) ( -9.225, 7.919, -3.841) ( 0.02, 0.02, 0.02) 250: bond (-10.234, 7.920, -2.677) (-10.232, 7.921, -2.677) ( 0.02, 0.01, 0.01) 250: angle ( 0.410, 1.448, 2.720) ( 0.410, 1.449, 2.720) ( 0.01, 0.02, 0.02) 250: strbnd ( 0.495, -0.112, 0.334) ( 0.495, -0.112, 0.334) ( 0.00, 0.00, 0.00) 250: torsion ( -0.316, -0.287, 0.358) ( -0.316, -0.287, 0.358) ( 0.00, 0.00, 0.00) 250: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: vdw ( 0.419, -1.051, -4.577) ( 0.419, -1.051, -4.577) ( 0.00, 0.00, 0.00) 250: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 250: ok 36 # gradients 330/333 Test #250: origtest_ffmmff94_3 ................................................................................. Passed 1494.63 sec 252: torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05) 252: oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38) 252: vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00) 252: electro ( -0.144, 0.140, 0.062) ( -0.144, 0.140, 0.062) ( 0.00, 0.00, 0.00) 252: 7 ( -1.018, -0.292, -0.300) ( -1.008, -0.282, -0.315) ( 0.96, 0.31, 0.44) 252: bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02) 252: angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02) 252: strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03) 252: torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00) 252: oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23) 252: vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00) 252: electro ( 0.448, -0.945, -0.018) ( 0.448, -0.945, -0.018) ( 0.00, 0.00, 0.00) 252: 8 ( -1.004, 2.236, 0.069) ( -1.034, 2.210, 0.203) ( 3.05, 1.13, 0.92) 252: bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04) 252: angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00) 252: strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00) 252: torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01) 252: oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89) 252: vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00) 252: electro ( 0.013, -0.285, 0.000) ( 0.013, -0.285, 0.000) ( 0.00, 0.00, 0.00) 252: 9 ( 0.351, -0.939, 0.203) ( 0.357, -0.933, 0.209) ( 0.20, 0.53, 0.11) 252: bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10) 252: angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03) 252: strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02) 252: torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00) 252: electro ( 0.040, -0.039, -0.079) ( 0.040, -0.039, -0.079) ( 0.00, 0.00, 0.00) 252: 10 ( 0.625, -1.053, -0.035) ( 0.652, -1.028, -0.117) ( 1.68, 2.30, 0.29) 252: bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13) 252: angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03) 252: strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02) 252: torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01) 252: oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06) 252: vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00) 252: electro ( -0.080, -0.003, -0.041) ( -0.080, -0.003, -0.041) ( 0.00, 0.00, 0.00) 252: 11 ( -0.026, -0.445, -0.490) ( -0.012, -0.431, -0.525) ( 0.04, 0.66, 1.67) 252: bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40) 252: angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01) 252: strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02) 252: torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01) 252: oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84) 252: vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00) 252: electro ( 0.189, 0.026, 0.145) ( 0.189, 0.026, 0.145) ( 0.00, 0.00, 0.00) 252: 12 ( 0.717, -9.657, 1.652) ( 0.730, -9.654, 1.624) ( 0.90, 0.03, 1.69) 252: bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02) 252: angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00) 252: strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00) 252: torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01) 252: oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42) 252: vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00) 252: electro ( 0.012, -0.260, 0.065) ( 0.012, -0.260, 0.065) ( 0.00, 0.00, 0.00) 252: 13 ( 2.460, -6.087, 1.095) ( 2.467, -6.080, 1.098) ( 0.27, 0.12, 0.31) 252: bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01) 252: angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00) 252: strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00) 252: torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02) 252: oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00) 252: electro ( 0.099, 0.153, -0.002) ( 0.099, 0.153, -0.002) ( 0.00, 0.00, 0.00) 252: 14 ( -0.730, -2.358, 0.160) ( -0.723, -2.352, 0.165) ( 0.49, 0.28, 0.07) 252: bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02) 252: angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00) 252: strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00) 252: torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01) 252: oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00) 252: vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00) 252: electro ( -0.202, 0.073, -0.025) ( -0.202, 0.073, -0.025) ( 0.00, 0.00, 0.00) 252: 15 ( 2.261, -0.162, 0.226) ( 2.268, -0.156, 0.225) ( 0.30, 0.10, 0.02) 252: bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01) 252: angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00) 252: strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00) 252: torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01) 252: oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 252: vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00) 252: electro ( 0.256, -0.023, 0.038) ( 0.256, -0.023, 0.038) ( 0.00, 0.00, 0.00) 252: 16 ( 12.486, 1.008, 1.043) ( 12.490, 1.019, 1.066) ( 0.04, 1.05, 2.16) 252: bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03) 252: angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00) 252: strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00) 252: torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01) 252: oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13) 252: vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00) 252: electro ( -0.038, 0.307, -0.033) ( -0.038, 0.307, -0.033) ( 0.00, 0.00, 0.00) 252: 17 (-13.149, 41.872, -7.596) (-13.137, 41.873, -7.641) ( 0.08, 0.00, 0.59) 252: bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02) 252: angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00) 252: strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00) 252: torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02) 252: oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03) 252: vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00) 252: electro ( -0.100, -0.286, -0.023) ( -0.100, -0.286, -0.023) ( 0.00, 0.00, 0.00) 252: 18 ( 44.495, -1.551, 2.301) ( 44.490, -1.525, 2.423) ( 0.01, 1.69, 5.31) 252: bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01) 252: angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01) 252: strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00) 252: torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06) 252: oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85) 252: vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00) 252: electro ( -0.078, 0.101, -0.023) ( -0.078, 0.101, -0.023) ( 0.00, 0.00, 0.00) 252: 19 ( 69.047, 18.195, -0.422) ( 69.073, 18.159, -0.719) ( 0.04, 0.20, 12.52) 252: bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01) 252: angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00) 252: strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00) 252: torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03) 252: oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40) 252: vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00) 252: electro ( -0.186, -0.044, 0.051) ( -0.186, -0.044, 0.051) ( 0.00, 0.00, 0.00) 252: 20 (-66.666, 1.027, -3.814) (-66.673, 1.059, -3.645) ( 0.01, 3.11, 4.42) 252: bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02) 252: angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02) 252: strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00) 252: torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03) 252: oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41) 252: vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00) 252: electro ( 0.371, -0.228, 0.325) ( 0.371, -0.228, 0.325) ( 0.00, 0.00, 0.00) 252: 21 (-41.992, -33.111, 1.581) (-41.994, -33.087, 1.701) ( 0.00, 0.07, 7.60) 252: bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02) 252: angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01) 252: strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01) 252: torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00) 252: oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29) 252: vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00) 252: electro ( -1.339, -0.127, 0.128) ( -1.339, -0.127, 0.128) ( 0.00, 0.00, 0.00) 252: 22 (-10.516, 3.652, -0.202) (-10.513, 3.656, -0.202) ( 0.02, 0.11, 0.01) 252: bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01) 252: angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01) 252: strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00) 252: torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00) 252: electro ( 2.494, -0.076, -0.023) ( 2.494, -0.076, -0.023) ( 0.00, 0.00, 0.00) 252: 23 ( 1.691, 0.137, 0.101) ( 1.691, 0.137, 0.111) ( 0.01, 0.00, 0.10) 252: bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03) 252: angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00) 252: strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00) 252: torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00) 252: oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06) 252: vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00) 252: electro ( -0.200, -0.165, -0.054) ( -0.200, -0.165, -0.054) ( 0.00, 0.00, 0.00) 252: 24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05) 252: bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00) 252: angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02) 252: strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00) 252: torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10) 252: bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00) 252: angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01) 252: strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00) 252: torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02) 252: bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11) 252: angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00) 252: strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00) 252: torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01) 252: bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00) 252: angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02) 252: strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00) 252: torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01) 252: bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00) 252: angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00) 252: strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00) 252: torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03) 252: bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02) 252: angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01) 252: strbnd ( -0.058, -0.697, 0.159) ( -0.058, -0.697, 0.159) ( 0.00, 0.00, 0.00) 252: torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03) 252: bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16) 252: angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01) 252: strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00) 252: torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01) 252: bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09) 252: angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01) 252: strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00) 252: torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01) 252: bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00) 252: angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02) 252: strbnd ( 0.051, -0.498, -0.006) ( 0.050, -0.498, -0.006) ( 0.00, 0.00, 0.00) 252: torsion ( -0.050, -0.015, 0.320) ( -0.050, -0.015, 0.320) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.176, 2.106, -0.080) ( -4.176, 2.106, -0.080) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 33 ( 0.011, 0.007, -0.103) ( 0.012, 0.009, -0.100) ( 0.00, 0.00, 0.02) 252: bond ( 0.411, -0.710, -1.123) ( 0.412, -0.709, -1.121) ( 0.01, 0.06, 0.20) 252: angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00) 252: strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00) 252: torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02) 252: bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16) 252: angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01) 252: strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00) 252: torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 35 ( 1.245, -1.321, 0.243) ( 1.246, -1.318, 0.245) ( 0.14, 0.22, 0.04) 252: bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00) 252: angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00) 252: strbnd ( -0.999, -1.463, 0.119) ( -0.999, -1.463, 0.119) ( 0.00, 0.00, 0.00) 252: torsion ( 0.009, -0.013, -0.082) ( 0.009, -0.012, -0.082) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, -0.001, -0.006) ( 0.001, -0.001, -0.005) ( 0.00, 0.00, 0.00) 252: vdw ( 1.020, 0.438, 0.043) ( 1.020, 0.438, 0.043) ( 0.00, 0.00, 0.00) 252: electro ( 0.168, 0.031, 0.005) ( 0.168, 0.031, 0.005) ( 0.00, 0.00, 0.00) 252: 36 ( -2.391, 0.421, -0.415) ( -2.388, 0.421, -0.415) ( 0.15, 0.03, 0.01) 252: bond ( -5.388, 0.685, -0.688) ( -5.385, 0.685, -0.688) ( 0.07, 0.01, 0.01) 252: angle ( 0.045, 0.310, -0.042) ( 0.045, 0.310, -0.042) ( 0.00, 0.02, 0.00) 252: strbnd ( 2.007, -0.547, 0.301) ( 2.007, -0.547, 0.301) ( 0.00, 0.00, 0.00) 252: torsion ( 0.009, -0.013, -0.086) ( 0.009, -0.013, -0.086) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, 0.002) ( -0.000, 0.000, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 0.742, 0.024, 0.077) ( 0.742, 0.024, 0.077) ( 0.00, 0.00, 0.00) 252: electro ( 0.194, -0.038, 0.022) ( 0.194, -0.038, 0.022) ( 0.00, 0.00, 0.00) 252: 37 ( -1.434, 2.065, -0.475) ( -1.433, 2.068, -0.473) ( 0.07, 0.16, 0.09) 252: bond ( -2.234, 4.953, -0.997) ( -2.234, 4.956, -0.997) ( 0.03, 0.06, 0.01) 252: angle ( -0.493, -0.226, -0.021) ( -0.492, -0.226, -0.021) ( 0.03, 0.00, 0.00) 252: strbnd ( 1.102, -1.804, 0.396) ( 1.102, -1.804, 0.396) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, 0.002, 0.011) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, -0.001, -0.009) ( 0.001, -0.001, -0.008) ( 0.00, 0.00, 0.00) 252: vdw ( 0.196, -0.710, 0.128) ( 0.196, -0.710, 0.128) ( 0.00, 0.00, 0.00) 252: electro ( -0.004, -0.149, 0.017) ( -0.004, -0.149, 0.017) ( 0.00, 0.00, 0.00) 252: 38 ( 1.261, -0.145, 0.322) ( 1.263, -0.142, 0.326) ( 0.13, 0.04, 0.10) 252: bond ( -0.248, -0.326, 0.024) ( -0.247, -0.323, 0.024) ( 0.03, 0.08, 0.00) 252: angle ( 0.899, -0.672, 0.202) ( 0.899, -0.671, 0.202) ( 0.04, 0.02, 0.00) 252: strbnd ( 1.310, 0.895, 0.002) ( 1.310, 0.895, 0.002) ( 0.01, 0.01, 0.00) 252: torsion ( -0.019, 0.028, 0.183) ( -0.019, 0.028, 0.183) ( 0.00, 0.00, 0.01) 252: oop ( 0.001, -0.002, -0.014) ( 0.001, -0.002, -0.011) ( 0.00, 0.00, 0.00) 252: vdw ( -0.358, -0.523, 0.041) ( -0.358, -0.523, 0.041) ( 0.00, 0.00, 0.00) 252: electro ( -0.324, 0.454, -0.114) ( -0.324, 0.454, -0.114) ( 0.00, 0.00, 0.00) 252: 39 ( 8.893, -15.193, 1.966) ( 8.900, -15.196, 1.907) ( 0.09, 0.02, 2.99) 252: bond ( -3.197, -11.479, 1.163) ( -3.196, -11.474, 1.163) ( 0.01, 0.04, 0.01) 252: angle ( 7.253, -1.945, 0.745) ( 7.253, -1.945, 0.745) ( 0.01, 0.00, 0.00) 252: strbnd ( 0.555, -2.428, 0.351) ( 0.555, -2.428, 0.351) ( 0.00, 0.00, 0.00) 252: torsion ( 0.097, -0.119, -0.912) ( 0.097, -0.119, -0.912) ( 0.00, 0.00, 0.02) 252: oop ( -0.026, 0.033, 0.255) ( -0.020, 0.025, 0.195) ( 0.02, 0.03, 1.50) 252: vdw ( 5.776, -0.126, 0.438) ( 5.776, -0.126, 0.438) ( 0.00, 0.00, 0.00) 252: electro ( -1.565, 0.871, -0.073) ( -1.565, 0.871, -0.073) ( 0.00, 0.00, 0.00) 252: ok 28 # gradients 252: ok 29 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 252: 1 (-37.071, -81.376, -8.715) (-37.065, -81.370, -8.711) ( 0.01, 0.01, 0.06) 252: bond ( -6.927, -6.224, 0.204) ( -6.923, -6.219, 0.208) ( 0.06, 0.08, 0.07) 252: angle (-43.402, -92.594, -5.039) (-43.401, -92.592, -5.037) ( 0.00, 0.00, 0.03) 252: strbnd ( 17.017, 19.808, -1.013) ( 17.017, 19.807, -1.014) ( 0.00, 0.00, 0.03) 252: torsion ( -0.140, 0.089, -0.286) ( -0.140, 0.089, -0.286) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.619, -2.454, -2.581) ( -3.619, -2.454, -2.581) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 2 (-39.440, 2.545, 50.699) (-39.434, 2.550, 50.705) ( 0.01, 0.18, 0.01) 252: bond ( 2.221, 0.743, -4.295) ( 2.225, 0.746, -4.291) ( 0.19, 0.23, 0.10) 252: angle (-30.186, 6.101, 43.460) (-30.184, 6.103, 43.462) ( 0.01, 0.03, 0.00) 252: strbnd ( -8.549, -6.318, 14.014) ( -8.550, -6.318, 14.014) ( 0.01, 0.01, 0.00) 252: torsion ( -0.634, -0.131, -0.999) ( -0.634, -0.131, -0.999) ( 0.00, 0.00, 0.01) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.292, 2.150, -1.482) ( -2.292, 2.150, -1.482) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 3 ( -1.269, 40.025, -47.383) ( -1.404, 39.151, -47.725) (10.68, 2.19, 0.72) 252: bond ( -0.509, 0.513, -6.367) ( -0.504, 0.517, -6.364) ( 0.25, 0.20, 0.05) 252: angle ( 13.510, 14.854, -42.989) ( 13.512, 14.856, -42.987) ( 0.01, 0.01, 0.00) 252: strbnd (-14.490, 2.857, -6.469) (-14.491, 2.857, -6.469) ( 0.01, 0.01, 0.01) 252: torsion ( 0.820, 13.476, 6.086) ( 0.820, 13.476, 6.086) ( 0.00, 0.00, 0.00) 252: oop ( -0.965, 7.596, 5.726) ( -1.106, 6.716, 5.379) (13.62, 11.59, 6.06) 252: vdw ( 0.470, 0.645, -3.276) ( 0.471, 0.645, -3.276) ( 0.00, 0.00, 0.00) 252: electro ( -0.106, 0.085, -0.093) ( -0.106, 0.085, -0.093) ( 0.00, 0.00, 0.00) 252: 4 ( -3.751, 47.995, 62.741) ( -3.746, 48.001, 62.747) ( 0.14, 0.01, 0.01) 252: bond ( -1.086, 2.486, 9.511) ( -1.082, 2.490, 9.516) ( 0.33, 0.17, 0.05) 252: angle ( -4.863, 51.765, 70.840) ( -4.861, 51.767, 70.842) ( 0.04, 0.00, 0.00) 252: strbnd ( 4.026, -10.734, -19.678) ( 4.025, -10.735, -19.679) ( 0.01, 0.01, 0.00) 252: torsion ( 0.144, 0.700, -0.367) ( 0.144, 0.700, -0.367) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.972, 3.779, 2.435) ( -1.972, 3.779, 2.435) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 (-38.552, -131.229, -55.358) (-37.756, -128.992, -53.392) ( 2.07, 1.70, 3.55) 252: bond ( 8.677, -20.361, -12.122) ( 8.681, -20.358, -12.120) ( 0.05, 0.02, 0.02) 252: angle (-36.816, -71.485, 11.280) (-36.815, -71.484, 11.281) ( 0.00, 0.00, 0.01) 252: strbnd ( 12.873, -5.181, 7.752) ( 12.873, -5.181, 7.752) ( 0.00, 0.00, 0.01) 252: torsion (-12.225, -29.725, -36.119) (-12.225, -29.725, -36.119) ( 0.00, 0.00, 0.00) 252: oop ( -5.173, -18.341, -24.805) ( -4.382, -16.108, -22.842) (15.29, 12.17, 7.91) 252: vdw ( -5.982, 13.988, -1.401) ( -5.982, 13.988, -1.401) ( 0.00, 0.00, 0.00) 252: electro ( 0.094, -0.124, 0.056) ( 0.094, -0.124, 0.056) ( 0.00, 0.00, 0.00) 252: 6 ( 59.731, 60.969, 24.972) ( 58.945, 59.687, 24.144) ( 1.32, 2.10, 3.32) 252: bond ( -6.489, -13.464, 18.197) ( -6.484, -13.459, 18.199) ( 0.07, 0.03, 0.01) 252: angle ( 37.474, 50.266, -17.881) ( 37.475, 50.267, -17.880) ( 0.00, 0.00, 0.00) 252: strbnd ( -3.586, -8.839, 8.084) ( -3.586, -8.840, 8.084) ( 0.01, 0.00, 0.00) 252: torsion ( 14.651, 15.387, 15.614) ( 14.652, 15.387, 15.614) ( 0.00, 0.00, 0.00) 252: oop ( 6.902, 8.223, 9.114) ( 6.110, 6.936, 8.282) (11.47, 15.66, 9.13) 252: vdw ( 10.851, 9.567, -8.214) ( 10.851, 9.567, -8.214) ( 0.00, 0.00, 0.00) 252: electro ( -0.073, -0.171, 0.058) ( -0.073, -0.171, 0.058) ( 0.00, 0.00, 0.00) 252: 7 (-98.469, -30.215, 3.140) (-97.137, -30.467, 3.742) ( 1.35, 0.83, 19.15) 252: bond (-36.725, -4.863, 0.794) (-36.719, -4.859, 0.795) ( 0.01, 0.08, 0.10) 252: angle (-40.863, -11.120, -0.055) (-40.862, -11.119, -0.054) ( 0.00, 0.01, 0.00) 252: strbnd (-15.761, -19.921, -0.231) (-15.761, -19.921, -0.231) ( 0.00, 0.00, 0.00) 252: torsion (-16.151, -0.989, 6.996) (-16.151, -0.989, 6.996) ( 0.00, 0.00, 0.01) 252: oop ( -6.016, 1.821, 0.042) ( -4.691, 1.564, 0.642) (22.03, 14.13, 2.51) 252: vdw ( 17.210, 4.832, -4.353) ( 17.210, 4.832, -4.353) ( 0.00, 0.00, 0.00) 252: electro ( -0.162, 0.025, -0.053) ( -0.162, 0.025, -0.053) ( 0.00, 0.00, 0.00) 252: 8 ( 43.352, -30.505, 99.229) ( 42.057, -30.082, 96.879) ( 2.99, 1.39, 2.37) 252: bond ( 0.216, 13.908, 14.316) ( 0.219, 13.913, 14.318) ( 0.06, 0.04, 0.01) 252: angle ( 11.911, -57.274, 71.476) ( 11.912, -57.273, 71.477) ( 0.01, 0.00, 0.00) 252: strbnd ( 12.084, 27.937, 5.019) ( 12.083, 27.936, 5.019) ( 0.00, 0.00, 0.00) 252: torsion ( 3.830, 0.035, -3.860) ( 3.830, 0.035, -3.861) ( 0.00, 0.00, 0.00) 252: oop ( 8.502, -2.885, 10.470) ( 7.204, -2.469, 8.117) (15.27, 14.44, 22.47) 252: vdw ( 7.198, -12.680, 2.190) ( 7.198, -12.679, 2.190) ( 0.00, 0.00, 0.00) 252: electro ( -0.389, 0.454, -0.382) ( -0.389, 0.454, -0.382) ( 0.00, 0.00, 0.00) 252: 9 ( 32.784, 53.653, -118.720) ( 32.158, 52.563, -117.998) ( 1.91, 2.03, 0.61) 252: bond ( 10.817, 9.746, -28.895) ( 10.820, 9.748, -28.889) ( 0.03, 0.02, 0.02) 252: angle ( 35.048, 51.699, -72.855) ( 35.049, 51.701, -72.854) ( 0.00, 0.00, 0.00) 252: strbnd ( 0.568, -4.532, -8.148) ( 0.567, -4.532, -8.148) ( 0.01, 0.00, 0.00) 252: torsion ( -4.728, -6.617, -17.279) ( -4.728, -6.618, -17.279) ( 0.00, 0.01, 0.00) 252: oop ( 1.204, 5.714, -4.530) ( 0.573, 4.622, -3.815) (52.37, 19.12, 15.77) 252: vdw (-10.056, -2.512, 13.221) (-10.056, -2.512, 13.222) ( 0.00, 0.01, 0.00) 252: electro ( -0.068, 0.155, -0.235) ( -0.068, 0.155, -0.235) ( 0.00, 0.00, 0.00) 252: 10 ( -2.856, -19.715, 132.354) ( -2.826, -20.000, 130.748) ( 1.05, 1.45, 1.21) 252: bond ( 18.269, 6.335, 0.967) ( 18.273, 6.339, 0.970) ( 0.02, 0.07, 0.23) 252: angle (-27.608, -36.500, 84.948) (-27.607, -36.499, 84.949) ( 0.01, 0.00, 0.00) 252: strbnd ( 12.909, 2.314, -3.833) ( 12.909, 2.313, -3.833) ( 0.00, 0.02, 0.00) 252: torsion ( 5.991, 6.815, 25.602) ( 5.992, 6.815, 25.602) ( 0.00, 0.00, 0.00) 252: oop ( 0.582, 4.956, 14.815) ( 0.605, 4.666, 13.205) ( 1.37, 5.85, 10.86) 252: vdw (-13.143, -3.558, 9.953) (-13.143, -3.558, 9.953) ( 0.00, 0.00, 0.00) 252: electro ( 0.145, -0.076, -0.098) ( 0.145, -0.076, -0.098) ( 0.00, 0.00, 0.00) 252: 11 ( 47.621, -23.666, -61.746) ( 37.332, -24.369, -53.148) (21.61, 2.97, 13.92) 252: bond (-11.073, 2.546, -4.952) (-11.069, 2.550, -4.949) ( 0.04, 0.18, 0.08) 252: angle ( 14.987, -10.150, -58.721) ( 14.989, -10.148, -58.720) ( 0.01, 0.02, 0.00) 252: strbnd ( 17.268, -10.877, 11.808) ( 17.267, -10.878, 11.807) ( 0.00, 0.01, 0.01) 252: torsion ( 6.129, 3.198, 15.790) ( 6.129, 3.198, 15.790) ( 0.00, 0.00, 0.00) 252: oop ( 18.909, -6.132, -23.821) ( 8.614, -6.841, -15.228) (54.44, 11.57, 36.07) 252: vdw ( 1.389, -2.494, -1.281) ( 1.389, -2.494, -1.281) ( 0.00, 0.00, 0.00) 252: electro ( 0.012, 0.244, -0.569) ( 0.012, 0.244, -0.569) ( 0.00, 0.00, 0.00) 252: 12 ( 31.693, -14.126, -65.659) ( 31.699, -14.121, -65.654) ( 0.02, 0.04, 0.01) 252: bond ( 4.025, -3.189, -9.311) ( 4.029, -3.185, -9.307) ( 0.10, 0.12, 0.05) 252: angle ( 35.137, -10.001, -64.710) ( 35.139, -10.000, -64.708) ( 0.01, 0.02, 0.00) 252: strbnd ( -5.006, 4.101, 11.332) ( -5.006, 4.101, 11.331) ( 0.01, 0.01, 0.01) 252: torsion ( -2.865, -1.801, -0.962) ( -2.865, -1.801, -0.962) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.401, -3.237, -2.009) ( 0.401, -3.237, -2.009) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 (-44.134, -77.724, 137.267) (-23.402, -75.683, 122.411) (46.97, 2.63, 10.82) 252: bond ( -2.460, 4.359, -8.933) ( -2.456, 4.363, -8.924) ( 0.18, 0.08, 0.10) 252: angle ( 29.524, -109.944, 134.355) ( 29.525, -109.943, 134.355) ( 0.00, 0.00, 0.00) 252: strbnd (-14.951, 10.444, -24.236) (-14.952, 10.444, -24.237) ( 0.01, 0.01, 0.01) 252: torsion ( 1.176, -3.022, -8.395) ( 1.176, -3.022, -8.396) ( 0.06, 0.00, 0.01) 252: oop (-59.918, 23.973, 41.115) (-39.191, 26.010, 26.252) (34.59, 8.49, 36.15) 252: vdw ( 2.638, -3.488, 3.777) ( 2.638, -3.488, 3.777) ( 0.00, 0.00, 0.00) 252: electro ( -0.142, -0.047, -0.416) ( -0.142, -0.047, -0.416) ( 0.00, 0.00, 0.00) 252: 14 (-74.159, -4.011, -45.310) (-74.368, -3.653, -44.962) ( 0.28, 8.92, 0.77) 252: bond ( 2.608, 8.877, -3.192) ( 2.609, 8.883, -3.190) ( 0.05, 0.08, 0.06) 252: angle (-96.717, 12.033, -55.420) (-96.718, 12.033, -55.421) ( 0.00, 0.00, 0.00) 252: strbnd ( -4.852, -11.840, 5.276) ( -4.852, -11.840, 5.276) ( 0.00, 0.00, 0.00) 252: torsion ( 10.732, 0.866, 11.025) ( 10.727, 0.866, 11.022) ( 0.04, 0.00, 0.03) 252: oop ( 12.415, -11.706, -6.666) ( 12.210, -11.356, -6.316) ( 1.65, 3.00, 5.26) 252: vdw ( 1.533, -1.793, 3.152) ( 1.533, -1.793, 3.152) ( 0.00, 0.00, 0.00) 252: electro ( 0.122, -0.447, 0.515) ( 0.122, -0.447, 0.515) ( 0.00, 0.00, 0.00) 252: 15 ( 72.737, 109.579, -59.037) ( 62.796, 108.005, -52.228) (13.67, 1.44, 11.53) 252: bond ( 2.268, 0.918, 3.526) ( 2.270, 0.919, 3.532) ( 0.12, 0.04, 0.18) 252: angle ( 44.112, 114.284, -58.082) ( 44.112, 114.285, -58.082) ( 0.00, 0.00, 0.00) 252: strbnd ( 4.938, 2.167, 7.080) ( 4.938, 2.167, 7.080) ( 0.01, 0.01, 0.00) 252: torsion ( -3.970, 1.783, 2.088) ( -3.970, 1.783, 2.088) ( 0.00, 0.00, 0.00) 252: oop ( 25.969, -6.898, -14.899) ( 16.024, -8.474, -8.097) (38.29, 22.85, 45.66) 252: vdw ( 0.595, -0.501, 0.672) ( 0.595, -0.501, 0.672) ( 0.00, 0.00, 0.00) 252: electro ( -1.174, -2.174, 0.579) ( -1.174, -2.174, 0.579) ( 0.00, 0.00, 0.00) 252: 16 ( 10.862, 32.599, -5.193) ( 10.865, 32.600, -5.193) ( 0.03, 0.00, 0.01) 252: bond ( 12.564, -2.116, -0.282) ( 12.567, -2.116, -0.282) ( 0.02, 0.01, 0.00) 252: angle ( 5.837, 35.355, -5.146) ( 5.837, 35.356, -5.145) ( 0.00, 0.00, 0.01) 252: strbnd ( -6.059, 0.924, 0.108) ( -6.059, 0.924, 0.108) ( 0.00, 0.00, 0.00) 252: torsion ( 0.025, 0.048, 0.772) ( 0.025, 0.048, 0.772) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.506, -1.612, -0.646) ( -1.506, -1.612, -0.646) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 17 ( 23.103, 21.401, -13.776) ( 23.104, 21.402, -13.774) ( 0.00, 0.01, 0.01) 252: bond ( 0.013, 7.722, 8.189) ( 0.013, 7.723, 8.191) ( 0.00, 0.02, 0.02) 252: angle ( 23.319, 18.754, -17.721) ( 23.319, 18.754, -17.721) ( 0.00, 0.00, 0.00) 252: strbnd ( -0.112, -4.214, -4.433) ( -0.112, -4.214, -4.433) ( 0.00, 0.00, 0.00) 252: torsion ( 0.254, -0.191, 0.179) ( 0.254, -0.191, 0.179) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.370, -0.670, 0.010) ( -0.370, -0.670, 0.010) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 18 ( 33.905, 23.432, 15.855) ( 33.905, 23.433, 15.857) ( 0.00, 0.01, 0.01) 252: bond ( 0.412, 8.070, -8.784) ( 0.412, 8.072, -8.782) ( 0.00, 0.02, 0.02) 252: angle ( 35.086, 20.894, 20.850) ( 35.086, 20.894, 20.850) ( 0.00, 0.00, 0.00) 252: strbnd ( -0.271, -3.980, 4.289) ( -0.271, -3.980, 4.289) ( 0.00, 0.00, 0.00) 252: torsion ( 0.050, -0.044, -0.038) ( 0.050, -0.044, -0.038) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.372, -1.509, -0.461) ( -1.372, -1.509, -0.461) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 19 ( 7.842, 13.549, 15.910) ( 7.843, 13.550, 15.912) ( 0.01, 0.01, 0.01) 252: bond ( 4.298, -5.557, 10.878) ( 4.298, -5.556, 10.880) ( 0.01, 0.01, 0.02) 252: angle ( 5.140, 17.037, 6.669) ( 5.140, 17.038, 6.669) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.222, 0.518, -1.052) ( -0.222, 0.518, -1.052) ( 0.00, 0.00, 0.00) 252: torsion ( 0.333, -0.021, -0.143) ( 0.333, -0.021, -0.143) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.708, 1.572, -0.443) ( -1.707, 1.572, -0.443) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 ( 24.224, 9.746, 3.735) ( 24.225, 9.747, 3.737) ( 0.00, 0.01, 0.06) 252: bond ( 0.205, 8.145, 12.537) ( 0.205, 8.145, 12.539) ( 0.00, 0.01, 0.02) 252: angle ( 25.409, 2.588, -2.097) ( 25.410, 2.588, -2.096) ( 0.00, 0.01, 0.01) 252: strbnd ( -0.027, -1.112, -1.794) ( -0.027, -1.112, -1.794) ( 0.00, 0.00, 0.00) 252: torsion ( -0.559, -0.957, 0.631) ( -0.559, -0.957, 0.631) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.804, 1.083, -5.542) ( -0.804, 1.083, -5.542) ( 0.01, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 21 (-14.013, -5.680, -13.049) (-14.012, -5.678, -13.048) ( 0.01, 0.05, 0.00) 252: bond ( -4.768, -11.721, 2.019) ( -4.767, -11.719, 2.019) ( 0.01, 0.02, 0.01) 252: angle ( -9.742, 1.595, -13.739) ( -9.741, 1.596, -13.738) ( 0.01, 0.01, 0.00) 252: strbnd ( 0.618, 1.701, -0.398) ( 0.618, 1.701, -0.398) ( 0.00, 0.00, 0.00) 252: torsion ( 0.143, 0.073, 0.763) ( 0.143, 0.073, 0.763) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.264, 2.671, -1.694) ( -0.263, 2.671, -1.694) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 22 (-11.466, -17.731, -34.136) (-11.464, -17.730, -34.135) ( 0.02, 0.00, 0.00) 252: bond ( 10.515, -3.031, -3.787) ( 10.517, -3.031, -3.787) ( 0.02, 0.01, 0.01) 252: angle (-17.099, -17.314, -33.631) (-17.099, -17.314, -33.630) ( 0.00, 0.00, 0.00) 252: strbnd ( -4.687, 1.352, 1.833) ( -4.687, 1.352, 1.833) ( 0.00, 0.00, 0.00) 252: torsion ( -0.036, -0.401, 0.221) ( -0.036, -0.401, 0.221) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.159, 1.663, 1.228) ( -0.159, 1.663, 1.228) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( 9.654, -14.702, -18.379) ( 9.655, -14.701, -18.377) ( 0.01, 0.01, 0.01) 252: bond ( -3.691, 5.903, -11.062) ( -3.691, 5.904, -11.060) ( 0.01, 0.01, 0.02) 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 299: ============================== 299: *** Open Babel Error in TetStereoToWedgeHash 299: Failed to set stereochemistry as unable to find an available bond 252: angle ( 12.954, -19.869, -14.929) ( 12.955, -19.869, -14.929) ( 0.00, 0.00, 0.00) 252: strbnd ( 1.489, -2.332, 4.677) ( 1.489, -2.332, 4.677) ( 0.00, 0.00, 0.00) 252: torsion ( -0.247, -0.126, 0.015) ( -0.247, -0.126, 0.015) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.851, 1.721, 2.920) ( -0.851, 1.721, 2.920) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( 14.540, -7.004, -26.289) ( 14.541, -7.001, -26.288) ( 0.01, 0.04, 0.00) 252: bond ( -4.182, -9.280, -1.526) ( -4.182, -9.277, -1.526) ( 0.01, 0.03, 0.01) 252: angle ( 17.244, -3.364, -26.810) ( 17.244, -3.364, -26.810) ( 0.00, 0.00, 0.00) 252: strbnd ( 2.112, 4.668, 0.929) ( 2.112, 4.668, 0.929) ( 0.00, 0.00, 0.00) 252: torsion ( 0.199, -0.107, 0.107) ( 0.199, -0.107, 0.107) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.832, 1.079, 1.011) ( -0.832, 1.079, 1.011) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( -2.164, 11.131, -4.375) ( -2.098, 11.194, -4.198) ( 3.06, 0.57, 4.03) 252: bond ( -0.517, -0.905, 0.501) ( -0.517, -0.903, 0.502) ( 0.04, 0.21, 0.04) 252: angle ( -5.394, 1.536, -2.786) ( -5.394, 1.537, -2.786) ( 0.01, 0.01, 0.00) 252: strbnd ( 4.247, 7.387, -3.525) ( 4.247, 7.387, -3.525) ( 0.00, 0.00, 0.00) 252: torsion ( -1.245, 2.897, 3.928) ( -1.245, 2.897, 3.928) ( 0.00, 0.00, 0.00) 252: oop ( -0.602, -0.657, -1.800) ( -0.537, -0.596, -1.625) ( 3.91, 3.97, 9.75) 252: vdw ( 1.342, 0.777, -0.631) ( 1.342, 0.777, -0.631) ( 0.00, 0.00, 0.00) 252: electro ( 0.006, 0.097, -0.061) ( 0.006, 0.097, -0.061) ( 0.00, 0.00, 0.00) 252: 26 ( 7.727, -9.491, -15.626) ( 7.376, -9.247, -15.019) ( 4.55, 2.57, 3.89) 252: bond ( 0.510, 0.130, 0.247) ( 0.513, 0.130, 0.248) ( 0.15, 0.00, 0.02) 252: angle ( -0.687, -4.473, 3.772) ( -0.687, -4.472, 3.772) ( 0.00, 0.01, 0.00) 252: strbnd ( -3.764, -0.803, -0.766) ( -3.764, -0.803, -0.766) ( 0.00, 0.00, 0.01) 252: torsion ( 8.777, -3.424, -16.387) ( 8.777, -3.424, -16.387) ( 0.00, 0.00, 0.00) 252: oop ( 1.606, -0.922, -2.844) ( 1.252, -0.679, -2.237) (22.07, 22.40, 21.34) 252: vdw ( 1.106, -0.058, 0.139) ( 1.106, -0.058, 0.139) ( 0.00, 0.00, 0.00) 252: electro ( 0.179, 0.059, 0.214) ( 0.179, 0.059, 0.214) ( 0.00, 0.00, 0.00) 252: 27 (-10.244, -1.168, -0.252) ( -9.709, -0.459, -0.350) ( 5.21, 60.69, 2.46) 252: bond ( -0.257, 0.039, -1.081) ( -0.257, 0.039, -1.078) ( 0.01, 0.00, 0.33) 252: angle ( -2.751, 5.638, 0.859) ( -2.751, 5.638, 0.859) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.092, 0.684, -4.568) ( -0.092, 0.685, -4.568) ( 0.00, 0.00, 0.00) 252: torsion ( -4.710, -4.641, 0.953) ( -4.710, -4.641, 0.953) ( 0.00, 0.00, 0.00) 252: oop ( -2.117, -3.288, 0.385) ( -1.584, -2.580, 0.284) (25.20, 21.55, 3.90) 252: vdw ( -0.554, 0.339, 2.803) ( -0.554, 0.339, 2.803) ( 0.00, 0.00, 0.00) 252: electro ( 0.238, 0.061, 0.396) ( 0.238, 0.061, 0.396) ( 0.00, 0.00, 0.00) 252: 28 (-35.334, 35.042, -12.778) (-35.136, 35.088, -12.476) ( 0.56, 0.13, 2.36) 252: bond ( -0.608, -0.110, 0.410) ( -0.606, -0.110, 0.411) ( 0.16, 0.00, 0.05) 252: angle (-20.084, 33.989, -20.477) (-20.083, 33.989, -20.477) ( 0.00, 0.00, 0.00) 252: strbnd (-11.144, -1.712, 8.116) (-11.144, -1.712, 8.116) ( 0.00, 0.00, 0.00) 252: torsion ( -1.403, 5.730, -0.531) ( -1.403, 5.730, -0.531) ( 0.00, 0.00, 0.00) 252: oop ( -1.298, -1.456, -2.303) ( -1.102, -1.410, -2.002) (15.09, 3.14, 13.07) 252: vdw ( -0.679, -1.424, 2.000) ( -0.679, -1.424, 2.000) ( 0.00, 0.00, 0.00) 252: electro ( -0.118, 0.025, 0.007) ( -0.118, 0.025, 0.007) ( 0.00, 0.00, 0.00) 252: 29 ( 6.269, 4.842, 17.665) ( 6.271, 4.844, 17.666) ( 0.04, 0.03, 0.00) 252: bond ( 13.347, 7.815, 1.928) ( 13.349, 7.816, 1.928) ( 0.02, 0.01, 0.01) 252: angle ( -3.942, 1.678, 20.486) ( -3.942, 1.679, 20.487) ( 0.01, 0.03, 0.00) 252: strbnd ( -1.485, -0.391, -0.372) ( -1.485, -0.391, -0.372) ( 0.00, 0.00, 0.00) 252: torsion ( -0.296, 0.484, 0.090) ( -0.296, 0.484, 0.090) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.355, -4.745, -4.467) ( -1.355, -4.744, -4.467) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( -8.350, 0.131, 25.967) ( -8.349, 0.134, 25.968) ( 0.01, 0.04, 0.00) 252: bond ( -1.481, 11.557, 2.165) ( -1.481, 11.560, 2.165) ( 0.01, 0.03, 0.01) 252: angle ( -9.788, -6.150, 26.139) ( -9.788, -6.150, 26.139) ( 0.00, 0.00, 0.00) 252: strbnd ( 0.626, -4.365, -1.021) ( 0.626, -4.365, -1.021) ( 0.00, 0.00, 0.00) 252: torsion ( 1.782, 0.049, 0.957) ( 1.782, 0.049, 0.957) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.511, -0.961, -2.273) ( 0.511, -0.961, -2.273) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 31 (-14.899, 11.820, 16.748) (-14.898, 11.820, 16.750) ( 0.01, 0.01, 0.01) 252: bond ( 5.176, -2.757, 10.225) ( 5.177, -2.757, 10.227) ( 0.01, 0.01, 0.02) 252: angle (-19.241, 13.946, 13.498) (-19.241, 13.947, 13.498) ( 0.00, 0.00, 0.00) 252: strbnd ( -2.072, 1.072, -4.471) ( -2.072, 1.072, -4.471) ( 0.00, 0.00, 0.00) 252: torsion ( 0.541, 0.941, -0.020) ( 0.541, 0.941, -0.020) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.698, -1.382, -2.484) ( 0.698, -1.382, -2.484) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 32 ( -4.993, 10.176, 24.023) ( -4.991, 10.177, 24.024) ( 0.05, 0.01, 0.00) 252: bond (-10.690, -3.803, 2.337) (-10.687, -3.803, 2.338) ( 0.02, 0.01, 0.01) 252: angle ( 0.606, 13.614, 24.917) ( 0.606, 13.614, 24.917) ( 0.00, 0.00, 0.00) 252: strbnd ( 3.553, 1.168, -0.972) ( 3.553, 1.168, -0.972) ( 0.00, 0.00, 0.00) 252: torsion ( -0.030, 0.061, -0.037) ( -0.030, 0.061, -0.037) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.567, -0.863, -2.222) ( 1.567, -0.863, -2.222) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 33 ( 15.026, -20.398, -24.613) ( 15.025, -20.394, -24.614) ( 0.01, 0.02, 0.00) 252: bond ( -4.753, -12.511, 5.560) ( -4.753, -12.507, 5.561) ( 0.01, 0.03, 0.01) 252: angle ( 21.861, -17.415, -20.481) ( 21.860, -17.414, -20.482) ( 0.00, 0.00, 0.00) 252: strbnd ( 2.809, 8.054, -3.331) ( 2.809, 8.054, -3.331) ( 0.00, 0.00, 0.00) 252: torsion ( -6.332, -0.435, -6.389) ( -6.334, -0.435, -6.390) ( 0.02, 0.00, 0.02) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.007, 0.074, -0.052) ( 0.007, 0.074, -0.052) ( 0.00, 0.00, 0.00) 252: electro ( 1.436, 1.834, 0.082) ( 1.436, 1.834, 0.082) ( 0.00, 0.00, 0.00) 252: ok 30 # gradients 252: ok 31 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 252: 1 ( 0.503, 0.593, 0.614) ( 0.557, 0.679, 0.432) ( 2.71, 5.12, 11.17) 252: bond ( 6.922, 0.175, 2.287) ( 6.926, 0.180, 2.292) ( 0.06, 0.08, 0.20) 252: angle ( -5.931, 2.410, 0.271) ( -5.930, 2.412, 0.272) ( 0.03, 0.08, 0.04) 252: strbnd ( 0.198, 0.872, 0.213) ( 0.197, 0.872, 0.213) ( 0.01, 0.04, 0.01) 252: torsion ( 0.668, -0.373, -2.325) ( 0.668, -0.373, -2.325) ( 0.00, 0.00, 0.00) 252: oop ( -0.334, -0.538, 1.283) ( -0.285, -0.457, 1.096) ( 1.63, 4.32, 14.61) 252: vdw ( -0.832, -1.739, -0.997) ( -0.832, -1.739, -0.997) ( 0.00, 0.00, 0.00) 252: electro ( -0.186, -0.215, -0.118) ( -0.186, -0.215, -0.118) ( 0.00, 0.00, 0.00) 252: 2 ( 0.433, 1.527, -2.187) ( 0.299, 1.272, -1.566) ( 5.83, 16.72, 28.38) 252: bond ( -2.739, 1.957, -0.129) ( -2.733, 1.965, -0.128) ( 0.24, 0.42, 0.02) 252: angle ( 14.443, -7.136, 1.147) ( 14.446, -7.134, 1.148) ( 0.02, 0.02, 0.06) 252: strbnd ( -7.334, 6.670, 1.385) ( -7.335, 6.668, 1.385) ( 0.01, 0.03, 0.02) 252: torsion ( -0.037, 0.168, 0.014) ( -0.037, 0.168, 0.014) ( 0.00, 0.00, 0.00) 252: oop ( 0.865, 1.488, -3.541) ( 0.722, 1.224, -2.922) (12.35, 17.72, 17.47) 252: vdw ( -4.625, -1.230, -1.537) ( -4.625, -1.230, -1.537) ( 0.00, 0.00, 0.00) 252: electro ( -0.140, -0.389, 0.474) ( -0.140, -0.389, 0.474) ( 0.00, 0.00, 0.00) 252: 3 ( -0.029, -0.024, 0.069) ( -0.028, -0.021, 0.070) ( 0.00, 0.01, 0.00) 252: bond ( 0.134, 0.394, -0.032) ( 0.135, 0.397, -0.032) ( 0.00, 0.12, 0.00) 252: angle ( 1.589, -0.626, -1.067) ( 1.590, -0.626, -1.067) ( 0.03, 0.00, 0.04) 252: strbnd ( 0.319, 0.162, 0.070) ( 0.319, 0.162, 0.070) ( 0.00, 0.00, 0.00) 252: torsion ( -0.341, 0.212, 1.185) ( -0.341, 0.212, 1.185) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.730, -0.167, -0.086) ( -1.730, -0.167, -0.086) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 4 ( 0.009, -0.000, 0.009) ( 0.010, 0.001, 0.011) ( 0.00, 0.00, 0.00) 252: bond ( 0.230, -0.232, -0.242) ( 0.231, -0.231, -0.241) ( 0.03, 0.03, 0.03) 252: angle ( 3.596, 2.214, 1.320) ( 3.596, 2.214, 1.320) ( 0.01, 0.01, 0.02) 252: strbnd ( 0.657, -0.379, -0.320) ( 0.657, -0.379, -0.320) ( 0.00, 0.00, 0.00) 252: torsion ( 0.004, 0.023, -0.019) ( 0.004, 0.023, -0.019) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.478, -1.627, -0.730) ( -4.478, -1.627, -0.730) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 ( -0.022, -0.019, 0.016) ( -0.022, -0.018, 0.019) ( 0.00, 0.00, 0.01) 252: bond ( 0.002, -0.007, 0.018) ( 0.002, -0.007, 0.021) ( 0.00, 0.00, 0.01) 252: angle ( 0.435, -0.097, -0.074) ( 0.436, -0.096, -0.074) ( 0.02, 0.00, 0.00) 252: strbnd ( 0.316, -0.158, 0.593) ( 0.316, -0.158, 0.593) ( 0.00, 0.00, 0.00) 252: torsion ( -0.046, 0.322, 0.110) ( -0.046, 0.322, 0.110) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.730, -0.080, -0.631) ( -0.730, -0.080, -0.631) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 6 ( -1.261, -10.162, -2.054) ( -1.171, -10.002, -2.417) ( 7.10, 1.58, 17.66) 252: bond ( -2.835, 3.345, 0.762) ( -2.831, 3.350, 0.763) ( 0.13, 0.16, 0.02) 252: angle ( -1.494, -1.139, -0.542) ( -1.493, -1.138, -0.541) ( 0.03, 0.02, 0.01) 252: strbnd ( 7.239, -8.454, -1.930) ( 7.239, -8.454, -1.930) ( 0.00, 0.00, 0.00) 252: torsion ( 0.143, 0.217, -0.423) ( 0.143, 0.217, -0.423) ( 0.00, 0.00, 0.00) 252: oop ( -0.410, -0.742, 1.739) ( -0.325, -0.588, 1.376) ( 3.49, 11.48, 20.89) 252: vdw ( -4.309, -6.669, -2.520) ( -4.309, -6.669, -2.520) ( 0.00, 0.00, 0.00) 252: electro ( 0.405, 3.280, 0.859) ( 0.405, 3.280, 0.859) ( 0.00, 0.00, 0.00) 252: 7 ( 8.086, -2.297, 5.227) ( 8.018, -2.411, 5.470) ( 0.83, 4.98, 4.67) 252: bond ( 17.866, -2.904, 4.744) ( 17.871, -2.899, 4.745) ( 0.03, 0.18, 0.03) 252: angle ( -8.512, -0.397, -1.184) ( -8.510, -0.396, -1.183) ( 0.02, 0.07, 0.06) 252: strbnd ( 0.437, -1.121, -0.832) ( 0.437, -1.122, -0.833) ( 0.02, 0.06, 0.02) 252: torsion ( -1.343, -1.618, 4.839) ( -1.343, -1.618, 4.840) ( 0.00, 0.00, 0.01) 252: oop ( 0.386, 0.773, -1.451) ( 0.312, 0.652, -1.209) ( 2.86, 9.34, 16.66) 252: vdw ( 1.892, 2.121, 0.955) ( 1.893, 2.121, 0.955) ( 0.01, 0.00, 0.00) 252: electro ( -2.641, 0.850, -1.845) ( -2.641, 0.850, -1.845) ( 0.00, 0.00, 0.00) 252: 8 ( -1.549, 2.804, 0.093) ( -1.512, 2.887, -0.063) ( 2.38, 2.95, 1.44) 252: bond ( -1.088, 0.983, 0.272) ( -1.086, 0.985, 0.272) ( 0.24, 0.21, 0.00) 252: angle ( -1.860, -1.398, -2.356) ( -1.859, -1.398, -2.356) ( 0.02, 0.02, 0.01) 252: strbnd ( -0.431, 2.009, 1.109) ( -0.431, 2.009, 1.109) ( 0.00, 0.00, 0.00) 252: torsion ( 0.178, 0.549, -1.277) ( 0.178, 0.549, -1.277) ( 0.00, 0.00, 0.01) 252: oop ( -0.244, -0.585, 1.144) ( -0.210, -0.505, 0.988) ( 0.82, 4.70, 13.65) 252: vdw ( 1.404, 2.236, 1.130) ( 1.404, 2.236, 1.130) ( 0.00, 0.00, 0.00) 252: electro ( 0.492, -0.990, 0.070) ( 0.492, -0.990, 0.070) ( 0.00, 0.00, 0.00) 252: 9 ( 2.604, 1.389, 2.014) ( 3.702, 2.430, 2.209) (42.15, 74.99, 9.68) 252: bond ( -7.812, -8.638, -5.588) ( -7.808, -8.633, -5.586) ( 0.05, 0.05, 0.04) 252: angle ( 12.778, 11.374, 19.741) ( 12.780, 11.376, 19.743) ( 0.02, 0.02, 0.01) 252: strbnd ( 4.362, 3.842, -7.340) ( 4.361, 3.842, -7.341) ( 0.02, 0.02, 0.01) 252: torsion ( -1.339, -2.456, -4.051) ( -1.339, -2.456, -4.051) ( 0.00, 0.00, 0.00) 252: oop ( -4.513, -5.190, -1.298) ( -3.420, -4.155, -1.107) (24.21, 19.95, 14.74) 252: vdw ( 0.230, 3.142, 1.240) ( 0.230, 3.143, 1.240) ( 0.00, 0.00, 0.00) 252: electro ( -1.103, -0.686, -0.690) ( -1.103, -0.686, -0.690) ( 0.00, 0.00, 0.00) 252: 10 ( -1.066, 5.610, -2.893) ( -0.982, 5.420, -3.059) ( 7.81, 3.39, 5.71) 252: bond ( -0.630, 1.775, 12.572) ( -0.627, 1.778, 12.577) ( 0.18, 0.16, 0.04) 252: angle ( 6.045, 0.014, -16.923) ( 6.048, 0.016, -16.921) ( 0.04, 0.00, 0.01) 252: strbnd ( -7.393, -1.780, -1.355) ( -7.394, -1.782, -1.356) ( 0.01, 0.08, 0.05) 252: torsion ( -2.978, 1.047, -0.463) ( -2.978, 1.047, -0.463) ( 0.00, 0.00, 0.00) 252: oop ( 1.166, 3.054, 2.028) ( 1.244, 2.860, 1.857) ( 6.76, 6.34, 8.45) 252: vdw ( 2.417, 3.304, 0.233) ( 2.417, 3.304, 0.233) ( 0.00, 0.00, 0.00) 252: electro ( 0.307, -1.802, 1.015) ( 0.307, -1.802, 1.015) ( 0.00, 0.00, 0.00) 252: 11 ( 1.808, -9.619, -1.369) ( 2.211, -7.418, -0.964) (22.27, 22.88, 29.59) 252: bond ( 10.742, 6.592, -1.930) ( 10.747, 6.594, -1.926) ( 0.05, 0.02, 0.18) 252: angle ( -4.937, -17.076, 7.817) ( -4.936, -17.075, 7.819) ( 0.04, 0.01, 0.03) 252: strbnd ( -1.830, -0.656, 3.895) ( -1.830, -0.657, 3.894) ( 0.03, 0.03, 0.01) 252: torsion ( 5.970, 14.380, -7.419) ( 5.971, 14.380, -7.419) ( 0.00, 0.00, 0.00) 252: oop ( -6.219, -17.227, -5.679) ( -5.823, -15.030, -5.279) ( 6.37, 12.76, 7.04) 252: vdw ( -1.251, 1.961, 1.619) ( -1.251, 1.961, 1.619) ( 0.01, 0.00, 0.00) 252: electro ( -0.667, 2.408, 0.327) ( -0.667, 2.408, 0.327) ( 0.00, 0.00, 0.00) 252: 12 ( -0.015, -0.043, -0.016) ( -0.014, -0.042, -0.013) ( 0.00, 0.01, 0.00) 252: bond ( -0.064, -0.227, -0.383) ( -0.063, -0.226, -0.380) ( 0.00, 0.02, 0.10) 252: angle ( -5.122, -0.874, 1.372) ( -5.121, -0.873, 1.372) ( 0.01, 0.03, 0.01) 252: strbnd ( 0.712, 0.432, 0.989) ( 0.712, 0.432, 0.989) ( 0.00, 0.00, 0.00) 252: torsion ( 0.289, -0.711, 0.374) ( 0.289, -0.711, 0.374) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.169, 1.337, -2.368) ( 4.169, 1.337, -2.368) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 13 ( 0.174, -1.208, -0.013) ( 0.176, -1.206, -0.012) ( 0.04, 0.16, 0.00) 252: bond ( 7.080, -17.260, 8.482) ( 7.081, -17.259, 8.482) ( 0.02, 0.01, 0.00) 252: angle ( -5.148, 2.623, -1.308) ( -5.148, 2.624, -1.307) ( 0.00, 0.03, 0.05) 252: strbnd ( -0.387, 6.300, -1.373) ( -0.387, 6.299, -1.373) ( 0.00, 0.01, 0.00) 252: torsion ( 0.837, 0.450, 0.871) ( 0.837, 0.450, 0.871) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.152, 6.289, -6.678) ( -2.152, 6.289, -6.677) ( 0.01, 0.00, 0.00) 252: electro ( -0.055, 0.391, -0.007) ( -0.055, 0.391, -0.007) ( 0.00, 0.00, 0.00) 252: 14 ( -1.151, 8.695, 3.501) ( -5.409, 3.347, 2.087) (369.90, 61.50, 40.40) 252: bond ( 1.728, 7.650, -26.617) ( 1.731, 7.651, -26.606) ( 0.18, 0.02, 0.04) 252: angle (-12.444, -3.256, -6.802) (-12.443, -3.255, -6.800) ( 0.01, 0.03, 0.03) 252: strbnd ( -0.283, -8.072, 23.375) ( -0.284, -8.072, 23.374) ( 0.01, 0.00, 0.01) 252: torsion ( -1.208, -7.791, 2.702) ( -1.208, -7.791, 2.702) ( 0.01, 0.00, 0.00) 252: oop ( 16.911, 22.685, 7.558) ( 12.649, 17.335, 6.131) (25.21, 23.58, 18.88) 252: vdw ( -7.544, -1.421, 3.983) ( -7.544, -1.421, 3.983) ( 0.00, 0.00, 0.00) 252: electro ( 1.689, -1.100, -0.697) ( 1.689, -1.100, -0.697) ( 0.00, 0.00, 0.00) 252: 15 ( 0.005, 0.033, -0.033) ( 0.006, 0.036, -0.032) ( 0.00, 0.01, 0.00) 252: bond ( -0.124, -3.231, -0.971) ( -0.124, -3.228, -0.971) ( 0.00, 0.10, 0.03) 252: angle ( 4.975, 0.074, -0.882) ( 4.976, 0.074, -0.882) ( 0.01, 0.00, 0.04) 252: strbnd ( -1.156, 1.633, -0.157) ( -1.156, 1.633, -0.157) ( 0.00, 0.00, 0.00) 252: torsion ( -0.003, -0.118, 0.391) ( -0.003, -0.118, 0.391) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.688, 1.674, 1.586) ( -3.688, 1.674, 1.586) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 16 ( -7.534, -3.810, 1.039) ( -4.877, -0.640, 2.015) (35.26, 83.21, 93.87) 252: bond ( -4.283, -2.663, 20.496) ( -4.282, -2.663, 20.505) ( 0.01, 0.00, 0.05) 252: angle ( -0.168, 2.881, 0.339) ( -0.168, 2.882, 0.339) ( 0.01, 0.01, 0.00) 252: strbnd ( 4.201, 1.886, -19.314) ( 4.201, 1.886, -19.314) ( 0.00, 0.01, 0.00) 252: torsion ( 1.537, 3.049, 0.717) ( 1.537, 3.049, 0.717) ( 0.00, 0.00, 0.00) 252: oop ( -7.000, -8.683, -2.589) ( -4.344, -5.513, -1.623) (37.94, 36.51, 37.31) 252: vdw ( -3.415, -0.431, 2.105) ( -3.415, -0.431, 2.105) ( 0.00, 0.00, 0.00) 252: electro ( 1.594, 0.150, -0.714) ( 1.594, 0.150, -0.714) ( 0.00, 0.00, 0.00) 252: 17 ( -0.036, 2.770, -1.504) ( -0.031, 2.774, -1.500) ( 0.02, 0.15, 0.30) 252: bond ( -7.091, 2.130, -1.977) ( -7.088, 2.132, -1.974) ( 0.05, 0.14, 0.17) 252: angle ( 4.462, 8.345, -1.889) ( 4.464, 8.347, -1.887) ( 0.04, 0.02, 0.09) 252: strbnd ( 3.433, -7.634, 3.029) ( 3.432, -7.635, 3.028) ( 0.02, 0.01, 0.02) 252: torsion ( -1.295, -0.201, -0.359) ( -1.295, -0.201, -0.359) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.436, 1.064, -0.784) ( 0.436, 1.064, -0.784) ( 0.00, 0.00, 0.00) 252: electro ( 0.019, -0.933, 0.477) ( 0.019, -0.933, 0.477) ( 0.00, 0.00, 0.00) 252: 18 ( 4.892, -0.985, 0.285) ( 5.287, -1.716, -0.060) ( 8.09, 71.97, 9.84) 252: bond ( 2.690, -5.259, -9.175) ( 2.694, -5.255, -9.171) ( 0.14, 0.07, 0.05) 252: angle ( 0.459, 8.749, 5.203) ( 0.461, 8.751, 5.206) ( 0.09, 0.02, 0.04) 252: strbnd ( 3.654, -2.284, -2.072) ( 3.653, -2.285, -2.073) ( 0.03, 0.02, 0.02) 252: torsion ( 2.026, -5.810, 3.568) ( 2.026, -5.810, 3.568) ( 0.00, 0.00, 0.00) 252: oop ( -2.189, 4.693, 2.103) ( -1.798, 3.957, 1.752) (17.86, 15.67, 16.70) 252: vdw ( 0.057, -1.642, 0.671) ( 0.057, -1.642, 0.671) ( 0.00, 0.00, 0.00) 252: electro ( -1.806, 0.567, -0.013) ( -1.806, 0.567, -0.013) ( 0.00, 0.00, 0.00) 252: 19 ( 0.014, -0.054, 0.035) ( 0.020, -0.048, 0.040) ( 0.01, 0.03, 0.02) 252: bond ( -4.572, 7.582, 9.251) ( -4.568, 7.586, 9.256) ( 0.10, 0.06, 0.05) 252: angle ( 4.311, -10.172, -3.123) ( 4.312, -10.170, -3.121) ( 0.04, 0.02, 0.06) 252: strbnd ( -2.161, 2.017, 1.879) ( -2.161, 2.016, 1.878) ( 0.02, 0.03, 0.04) 252: torsion ( -0.707, -0.056, -0.329) ( -0.707, -0.056, -0.328) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.144, 0.575, -7.644) ( 3.144, 0.575, -7.644) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 ( 0.055, 0.023, -0.083) ( 0.061, 0.028, -0.077) ( 0.03, 0.01, 0.05) 252: bond ( -7.858, -5.077, -5.109) ( -7.854, -5.072, -5.105) ( 0.05, 0.09, 0.09) 252: angle ( 6.358, 2.036, 6.266) ( 6.360, 2.038, 6.268) ( 0.03, 0.09, 0.03) 252: strbnd ( -2.171, -0.422, -1.231) ( -2.172, -0.423, -1.232) ( 0.04, 0.02, 0.05) 252: torsion ( 0.971, -0.883, -0.568) ( 0.971, -0.883, -0.568) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.756, 4.369, 0.559) ( 2.756, 4.369, 0.559) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 21 ( 0.488, 0.737, -2.713) ( -0.474, 0.559, -1.918) (46.96, 13.13, 29.31) 252: bond ( -7.303, 18.452, -4.755) ( -7.301, 18.461, -4.751) ( 0.03, 0.05, 0.10) 252: angle ( 11.493, -17.158, 1.980) ( 11.494, -17.156, 1.981) ( 0.01, 0.01, 0.07) 252: strbnd ( -4.739, 3.053, -5.420) ( -4.739, 3.052, -5.421) ( 0.01, 0.04, 0.02) 252: torsion ( -1.507, 0.152, 2.650) ( -1.507, 0.152, 2.650) ( 0.01, 0.00, 0.00) 252: oop ( 5.247, 1.013, -4.389) ( 4.282, 0.825, -3.599) (18.39, 18.57, 18.00) 252: vdw ( -2.898, -4.553, 6.605) ( -2.898, -4.553, 6.605) ( 0.00, 0.00, 0.00) 252: electro ( 0.195, -0.222, 0.617) ( 0.195, -0.222, 0.617) ( 0.00, 0.00, 0.00) 252: 22 ( 0.011, 0.068, 0.026) ( 0.012, 0.070, 0.029) ( 0.00, 0.01, 0.01) 252: bond ( 0.328, -2.247, -3.859) ( 0.328, -2.246, -3.857) ( 0.00, 0.04, 0.06) 252: angle ( -0.121, 1.446, -0.853) ( -0.120, 1.446, -0.853) ( 0.01, 0.03, 0.01) 252: strbnd ( 0.002, 0.481, 0.353) ( 0.002, 0.481, 0.353) ( 0.00, 0.00, 0.00) 252: torsion ( -2.329, -0.221, -0.069) ( -2.329, -0.221, -0.069) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.131, 0.609, 4.454) ( 2.131, 0.609, 4.454) ( 0.01, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( -3.234, 0.160, 0.213) ( -3.041, 0.205, 0.050) ( 5.98, 0.73, 3.48) 252: bond ( 2.346, -0.713, 2.597) ( 2.348, -0.708, 2.600) ( 0.09, 0.35, 0.10) 252: angle ( -9.647, 2.693, -9.181) ( -9.647, 2.694, -9.181) ( 0.00, 0.05, 0.00) 252: strbnd ( 2.977, 2.363, 3.838) ( 2.977, 2.363, 3.837) ( 0.00, 0.00, 0.00) 252: torsion ( 0.013, 0.016, -0.011) ( 0.013, 0.016, -0.011) ( 0.00, 0.00, 0.00) 252: oop ( -1.579, -0.309, 1.374) ( -1.388, -0.270, 1.208) (12.09, 1.23, 12.08) 252: vdw ( 1.642, -3.834, 1.605) ( 1.642, -3.834, 1.605) ( 0.00, 0.00, 0.00) 252: electro ( 1.014, -0.057, -0.008) ( 1.014, -0.057, -0.008) ( 0.00, 0.00, 0.00) 252: 24 ( 0.004, 0.003, -0.053) ( 0.005, 0.004, -0.052) ( 0.00, 0.00, 0.01) 252: bond ( -1.196, 1.182, -0.827) ( -1.194, 1.183, -0.827) ( 0.12, 0.11, 0.05) 252: angle ( -1.332, -1.852, -0.728) ( -1.331, -1.852, -0.727) ( 0.02, 0.02, 0.03) 252: strbnd ( 0.241, -1.027, 0.189) ( 0.241, -1.026, 0.189) ( 0.00, 0.00, 0.00) 252: torsion ( -0.038, 0.002, 0.057) ( -0.038, 0.002, 0.057) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.329, 1.697, 1.256) ( 2.329, 1.697, 1.256) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( -0.012, -0.040, -0.043) ( -0.010, -0.039, -0.041) ( 0.00, 0.01, 0.01) 252: bond ( -1.200, -1.265, 1.435) ( -1.199, -1.264, 1.436) ( 0.08, 0.08, 0.10) 252: angle ( -2.311, -0.524, -2.391) ( -2.311, -0.524, -2.391) ( 0.01, 0.02, 0.01) 252: strbnd ( -0.046, 0.131, -0.817) ( -0.046, 0.131, -0.817) ( 0.00, 0.00, 0.00) 252: torsion ( 0.070, -0.086, -0.017) ( 0.070, -0.086, -0.017) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.476, 1.704, 1.748) ( 3.476, 1.704, 1.748) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 ( 0.017, 0.031, -0.062) ( 0.018, 0.032, -0.060) ( 0.00, 0.00, 0.01) 252: bond ( 0.799, -1.340, -1.580) ( 0.799, -1.338, -1.578) ( 0.04, 0.09, 0.11) 252: angle ( -3.338, -0.613, -1.171) ( -3.337, -0.613, -1.171) ( 0.01, 0.02, 0.02) 252: strbnd ( -0.745, 0.134, 0.227) ( -0.745, 0.134, 0.227) ( 0.00, 0.00, 0.00) 252: torsion ( 0.007, -0.067, 0.060) ( 0.007, -0.067, 0.060) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.293, 1.916, 2.401) ( 3.293, 1.916, 2.401) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 27 ( -0.029, -0.013, -0.016) ( -0.027, -0.011, -0.015) ( 0.01, 0.00, 0.00) 252: bond ( -1.391, 1.340, -0.747) ( -1.389, 1.342, -0.747) ( 0.11, 0.11, 0.03) 252: angle ( -1.015, 0.530, 2.839) ( -1.015, 0.530, 2.840) ( 0.02, 0.01, 0.02) 252: strbnd ( 0.553, -0.368, 1.021) ( 0.553, -0.368, 1.021) ( 0.00, 0.00, 0.00) 252: torsion ( -0.250, -0.232, 0.047) ( -0.250, -0.232, 0.047) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.074, -1.282, -3.176) ( 2.074, -1.282, -3.176) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 28 ( -0.034, -0.055, -0.010) ( -0.032, -0.053, -0.008) ( 0.01, 0.01, 0.00) 252: bond ( 1.317, 0.998, 0.899) ( 1.318, 0.999, 0.900) ( 0.13, 0.10, 0.07) 252: angle ( -2.910, 1.945, 2.102) ( -2.910, 1.946, 2.102) ( 0.01, 0.02, 0.02) 252: strbnd ( -0.799, 0.069, 0.229) ( -0.799, 0.069, 0.229) ( 0.00, 0.00, 0.00) 252: torsion ( -0.012, 0.069, -0.059) ( -0.012, 0.069, -0.059) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.371, -3.136, -3.182) ( 2.371, -3.135, -3.182) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 29 ( -0.014, -0.055, -0.036) ( -0.012, -0.054, -0.034) ( 0.00, 0.01, 0.01) 252: bond ( -1.198, -1.403, 1.700) ( -1.197, -1.402, 1.701) ( 0.06, 0.08, 0.09) 252: angle ( -1.824, 2.897, 1.105) ( -1.823, 2.897, 1.105) ( 0.02, 0.01, 0.02) 252: strbnd ( 0.202, 1.021, -0.133) ( 0.202, 1.021, -0.133) ( 0.00, 0.00, 0.00) 252: torsion ( 0.274, -0.031, 0.167) ( 0.274, -0.031, 0.167) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.531, -2.539, -2.875) ( 2.532, -2.539, -2.875) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 30 ( 7.205, 2.240, 7.247) ( 7.205, 2.245, 7.247) ( 0.01, 0.22, 0.01) 252: bond ( -0.177, 0.738, -0.096) ( -0.177, 0.743, -0.096) ( 0.01, 0.36, 0.00) 252: angle ( 8.417, 3.317, 10.163) ( 8.417, 3.317, 10.163) ( 0.00, 0.00, 0.00) 252: strbnd ( 0.382, -1.272, 0.256) ( 0.382, -1.272, 0.256) ( 0.00, 0.00, 0.00) 252: torsion ( 0.882, 0.111, -0.766) ( 0.882, 0.111, -0.766) ( 0.01, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.106, 0.075, 0.091) ( 0.106, 0.075, 0.091) ( 0.00, 0.00, 0.00) 252: electro ( -2.405, -0.728, -2.400) ( -2.405, -0.728, -2.400) ( 0.00, 0.00, 0.00) 252: 31 (-10.418, 1.586, -7.406) ( -9.943, 1.689, -7.787) ( 4.56, 6.45, 5.14) 252: bond ( -0.691, -2.922, -1.578) ( -0.691, -2.915, -1.576) ( 0.03, 0.24, 0.13) 252: angle (-11.279, 8.740, -11.218) (-11.279, 8.740, -11.218) ( 0.00, 0.00, 0.00) 252: strbnd ( -0.400, 0.562, -0.346) ( -0.400, 0.562, -0.346) ( 0.00, 0.01, 0.00) 252: torsion ( -0.438, -0.113, 0.402) ( -0.438, -0.113, 0.402) ( 0.00, 0.00, 0.00) 252: oop ( -2.089, -0.433, 1.715) ( -1.615, -0.338, 1.332) (22.71, 4.11, 22.34) 252: vdw ( 1.193, -3.724, 0.966) ( 1.193, -3.724, 0.966) ( 0.00, 0.00, 0.00) 252: electro ( 3.286, -0.524, 2.653) ( 3.286, -0.524, 2.653) ( 0.00, 0.00, 0.00) 252: ok 32 # gradients 252: ok 33 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 252: 1 ( 0.511, -0.096, -0.005) ( 0.520, -0.092, 0.001) ( 0.45, 0.03, 0.00) 252: bond ( 9.838, -1.834, 0.007) ( 9.844, -1.832, 0.011) ( 0.07, 0.10, 0.00) 252: angle ( 6.646, -1.255, -0.018) ( 6.648, -1.254, -0.017) ( 0.03, 0.05, 0.00) 252: strbnd ( -3.095, 0.579, 0.001) ( -3.095, 0.579, 0.001) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, 0.001, -0.002) ( 0.001, 0.002, -0.002) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.001, -0.001) ( 0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 252: vdw (-12.705, 2.379, 0.009) (-12.705, 2.379, 0.009) ( 0.00, 0.00, 0.00) 252: electro ( -0.173, 0.032, 0.000) ( -0.173, 0.032, 0.000) ( 0.00, 0.00, 0.00) 252: 2 ( -0.075, 0.318, 0.474) ( -0.066, 0.334, 0.472) ( 0.07, 0.52, 0.08) 252: bond ( 15.243, -7.110, -6.312) ( 15.248, -7.108, -6.308) ( 0.04, 0.03, 0.07) 252: angle ( -4.881, -0.262, -1.754) ( -4.879, -0.261, -1.753) ( 0.04, 0.02, 0.09) 252: strbnd ( -1.609, 1.725, 2.154) ( -1.609, 1.725, 2.154) ( 0.01, 0.00, 0.01) 252: torsion ( 0.015, 0.078, -0.054) ( 0.015, 0.079, -0.054) ( 0.00, 0.01, 0.00) 252: oop ( -0.015, -0.078, 0.052) ( -0.012, -0.066, 0.044) ( 0.00, 0.10, 0.04) 252: vdw ( -8.822, 6.095, 6.582) ( -8.822, 6.095, 6.582) ( 0.00, 0.00, 0.00) 252: electro ( -0.006, -0.130, -0.194) ( -0.006, -0.130, -0.194) ( 0.00, 0.00, 0.00) 252: 3 ( -0.080, 0.261, 0.300) ( -0.079, 0.234, 0.325) ( 0.01, 0.70, 0.76) 252: bond ( 0.609, -8.879, -13.408) ( 0.614, -8.877, -13.405) ( 0.30, 0.02, 0.03) 252: angle ( -7.772, 3.135, 2.969) ( -7.770, 3.136, 2.970) ( 0.02, 0.03, 0.05) 252: strbnd ( 2.453, -0.620, -0.234) ( 2.453, -0.620, -0.235) ( 0.01, 0.01, 0.01) 252: torsion ( -0.243, 0.162, 0.098) ( -0.243, 0.163, 0.098) ( 0.00, 0.01, 0.00) 252: oop ( 0.034, 0.181, -0.121) ( 0.028, 0.151, -0.101) ( 0.02, 0.55, 0.25) 252: vdw ( 4.751, 6.373, 11.116) ( 4.751, 6.373, 11.116) ( 0.00, 0.00, 0.00) 252: electro ( 0.088, -0.091, -0.119) ( 0.088, -0.091, -0.119) ( 0.00, 0.00, 0.00) 252: 4 ( -0.195, 0.032, 0.015) ( -0.188, 0.037, 0.020) ( 0.13, 0.02, 0.01) 252: bond ( -7.919, 1.496, 0.029) ( -7.915, 1.498, 0.032) ( 0.06, 0.11, 0.01) 252: angle ( 7.321, -1.377, -0.013) ( 7.323, -1.376, -0.012) ( 0.03, 0.07, 0.00) 252: strbnd ( -7.154, 1.339, 0.000) ( -7.155, 1.339, 0.000) ( 0.00, 0.00, 0.00) 252: torsion ( -0.002, -0.005, 0.001) ( -0.002, -0.004, 0.002) ( 0.00, 0.00, 0.00) 252: oop ( -0.001, -0.007, 0.004) ( -0.001, -0.005, 0.003) ( 0.00, 0.00, 0.00) 252: vdw ( 7.561, -1.415, -0.006) ( 7.562, -1.415, -0.006) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 5 ( -0.246, -0.217, -0.384) ( -0.235, -0.186, -0.397) ( 0.29, 0.67, 0.50) 252: bond ( 3.740, 8.034, 13.340) ( 3.745, 8.036, 13.343) ( 0.13, 0.02, 0.03) 252: angle ( -8.410, -0.116, -2.962) ( -8.408, -0.115, -2.960) ( 0.02, 0.01, 0.05) 252: strbnd ( 2.516, -0.308, 0.233) ( 2.515, -0.309, 0.233) ( 0.01, 0.00, 0.01) 252: torsion ( -0.284, -0.056, -0.104) ( -0.284, -0.055, -0.103) ( 0.00, 0.00, 0.00) 252: oop ( -0.031, -0.165, 0.109) ( -0.025, -0.137, 0.091) ( 0.02, 0.46, 0.20) 252: vdw ( 2.108, -7.659, -11.120) ( 2.108, -7.659, -11.120) ( 0.00, 0.00, 0.00) 252: electro ( 0.115, 0.053, 0.119) ( 0.115, 0.053, 0.119) ( 0.00, 0.00, 0.00) 252: 6 ( -0.141, -0.330, -0.527) ( -0.136, -0.337, -0.513) ( 0.08, 0.25, 0.74) 252: bond ( 16.822, 1.066, 6.232) ( 16.827, 1.068, 6.236) ( 0.03, 0.19, 0.07) 252: angle ( -4.438, 2.007, 1.762) ( -4.436, 2.007, 1.763) ( 0.05, 0.03, 0.09) 252: strbnd ( -2.127, -1.024, -2.150) ( -2.127, -1.024, -2.150) ( 0.01, 0.00, 0.01) 299: /usr/lib/python3.14/multiprocessing/pool.py:268: ResourceWarning: unclosed running multiprocessing pool 299: _warn(f"unclosed running multiprocessing pool {self!r}", 299: ResourceWarning: Enable tracemalloc to get the object allocation traceback 299: . 299: ---------------------------------------------------------------------- 299: Ran 1 test in 335.449s 299: 299: OK 331/333 Test #299: pybindtest_roundtrip ................................................................................ Passed 336.12 sec 252: torsion ( -0.016, -0.084, 0.056) ( -0.016, -0.083, 0.056) ( 0.00, 0.01, 0.00) 252: oop ( 0.013, 0.071, -0.048) ( 0.011, 0.060, -0.040) ( 0.00, 0.08, 0.04) 252: vdw (-10.436, -2.488, -6.572) (-10.436, -2.488, -6.572) ( 0.00, 0.00, 0.00) 252: electro ( 0.041, 0.123, 0.194) ( 0.041, 0.123, 0.194) ( 0.00, 0.00, 0.00) 252: 7 ( 0.083, 0.029, -0.027) ( 0.090, 0.034, -0.024) ( 0.06, 0.02, 0.01) 252: bond ( -5.715, 1.120, -0.030) ( -5.710, 1.124, -0.028) ( 0.08, 0.35, 0.00) 252: angle ( -3.925, 0.733, 0.006) ( -3.923, 0.734, 0.007) ( 0.05, 0.10, 0.00) 252: strbnd ( 10.212, -1.917, -0.002) ( 10.212, -1.917, -0.002) ( 0.00, 0.01, 0.00) 252: torsion ( -0.000, -0.001, 0.000) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.489, 0.094, -0.002) ( -0.488, 0.094, -0.002) ( 0.01, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 8 ( -0.108, 1.157, -0.705) ( -0.101, 1.163, -0.702) ( 0.08, 0.53, 0.24) 252: bond ( -3.483, -12.638, 7.907) ( -3.478, -12.633, 7.908) ( 0.16, 0.03, 0.02) 252: angle ( 3.798, 0.832, -0.921) ( 3.800, 0.834, -0.921) ( 0.04, 0.11, 0.04) 252: strbnd ( 1.060, -1.300, 0.656) ( 1.060, -1.300, 0.656) ( 0.02, 0.01, 0.00) 252: torsion ( 0.019, 0.099, 0.166) ( 0.019, 0.099, 0.167) ( 0.00, 0.00, 0.02) 252: oop ( -0.000, -0.001, -0.002) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( -1.505, 14.542, -8.739) ( -1.505, 14.542, -8.739) ( 0.01, 0.00, 0.00) 252: electro ( 0.004, -0.378, 0.228) ( 0.004, -0.378, 0.228) ( 0.00, 0.00, 0.00) 252: 9 ( 0.009, -0.348, 0.187) ( 0.016, -0.342, 0.191) ( 0.01, 0.21, 0.07) 252: bond ( -2.492, -7.482, 4.725) ( -2.486, -7.478, 4.727) ( 0.23, 0.05, 0.03) 252: angle ( -4.105, -3.933, 2.798) ( -4.103, -3.931, 2.798) ( 0.04, 0.03, 0.02) 252: strbnd ( -4.222, 0.031, 0.453) ( -4.222, 0.031, 0.453) ( 0.01, 0.00, 0.00) 252: torsion ( -0.000, -0.003, -0.005) ( -0.000, -0.003, -0.004) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 10.835, 10.954, -7.728) ( 10.835, 10.954, -7.728) ( 0.00, 0.00, 0.00) 252: electro ( -0.006, 0.087, -0.052) ( -0.006, 0.087, -0.052) ( 0.00, 0.00, 0.00) 252: 10 ( 2.631, -0.498, 0.003) ( 2.635, -0.493, 0.006) ( 0.16, 0.24, 0.00) 252: bond (-13.181, 2.472, 0.003) (-13.178, 2.476, 0.004) ( 0.02, 0.16, 0.00) 252: angle ( 8.282, -1.555, -0.003) ( 8.284, -1.555, -0.003) ( 0.02, 0.02, 0.00) 252: strbnd ( 0.147, -0.037, 0.005) ( 0.147, -0.037, 0.006) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 8.264, -1.546, -0.006) ( 8.265, -1.546, -0.006) ( 0.00, 0.00, 0.00) 252: electro ( -0.883, 0.165, 0.001) ( -0.883, 0.165, 0.001) ( 0.00, 0.00, 0.00) 252: 11 ( 0.028, 0.306, -0.205) ( 0.035, 0.312, -0.201) ( 0.02, 0.19, 0.08) 252: bond ( 0.276, 7.851, -4.706) ( 0.282, 7.855, -4.705) ( 0.16, 0.05, 0.03) 252: angle ( -2.425, 5.161, -2.800) ( -2.424, 5.163, -2.800) ( 0.07, 0.03, 0.02) 252: strbnd ( -3.937, 1.510, -0.456) ( -3.938, 1.510, -0.456) ( 0.01, 0.01, 0.00) 252: torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.006) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.002, -0.003) ( -0.000, -0.001, -0.002) ( 0.00, 0.00, 0.00) 252: vdw ( 6.153, -14.132, 7.716) ( 6.153, -14.132, 7.716) ( 0.00, 0.00, 0.00) 252: electro ( -0.037, -0.079, 0.052) ( -0.037, -0.079, 0.052) ( 0.00, 0.00, 0.00) 252: 12 ( -0.373, -1.134, 0.744) ( -0.366, -1.129, 0.747) ( 0.27, 0.47, 0.19) 252: bond ( 1.440, 12.965, -7.881) ( 1.446, 12.969, -7.880) ( 0.38, 0.03, 0.02) 252: angle ( 3.262, -2.172, 0.925) ( 3.264, -2.171, 0.925) ( 0.05, 0.06, 0.04) 252: strbnd ( 1.447, 0.834, -0.660) ( 1.447, 0.834, -0.660) ( 0.01, 0.01, 0.00) 252: torsion ( -0.018, -0.096, -0.161) ( -0.018, -0.095, -0.160) ( 0.00, 0.00, 0.01) 252: oop ( 0.000, 0.002, 0.003) ( 0.000, 0.002, 0.003) ( 0.00, 0.00, 0.00) 252: vdw ( -6.645, -13.018, 8.747) ( -6.645, -13.018, 8.747) ( 0.00, 0.00, 0.00) 252: electro ( 0.140, 0.351, -0.228) ( 0.140, 0.351, -0.228) ( 0.00, 0.00, 0.00) 252: 13 ( -0.263, -0.228, 0.157) ( -0.261, -0.226, 0.159) ( 0.05, 0.05, 0.02) 252: bond ( 0.532, 0.585, -0.410) ( 0.533, 0.587, -0.409) ( 0.07, 0.10, 0.03) 252: angle ( -1.375, 0.959, -0.417) ( -1.375, 0.959, -0.417) ( 0.03, 0.02, 0.00) 252: strbnd ( -0.291, 0.302, -0.147) ( -0.291, 0.302, -0.147) ( 0.00, 0.00, 0.00) 252: torsion ( -0.002, -0.013, -0.021) ( -0.002, -0.012, -0.021) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.001, -0.001) ( -0.000, -0.001, -0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 0.782, -2.146, 1.210) ( 0.782, -2.146, 1.210) ( 0.00, 0.00, 0.00) 252: electro ( 0.092, 0.086, -0.056) ( 0.092, 0.086, -0.056) ( 0.00, 0.00, 0.00) 252: 14 ( -0.602, 0.636, -0.300) ( -0.601, 0.639, -0.299) ( 0.08, 0.16, 0.03) 252: bond ( -0.713, 1.410, -0.761) ( -0.713, 1.412, -0.760) ( 0.04, 0.17, 0.05) 252: angle ( -1.054, -0.355, 0.329) ( -1.053, -0.355, 0.329) ( 0.06, 0.00, 0.00) 252: strbnd ( 0.385, 0.200, -0.162) ( 0.385, 0.200, -0.162) ( 0.00, 0.00, 0.00) 252: torsion ( 0.001, 0.005, 0.009) ( 0.001, 0.006, 0.009) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.575, -0.404, 0.175) ( 0.575, -0.404, 0.175) ( 0.00, 0.00, 0.00) 252: electro ( 0.205, -0.220, 0.109) ( 0.205, -0.220, 0.109) ( 0.00, 0.00, 0.00) 252: 15 ( 0.332, -0.118, -0.060) ( 0.339, -0.102, -0.061) ( 0.25, 0.18, 0.01) 252: bond ( -7.125, -4.896, -9.263) ( -7.121, -4.892, -9.259) ( 0.06, 0.09, 0.05) 252: angle ( 6.393, 2.270, 5.666) ( 6.394, 2.272, 5.667) ( 0.03, 0.07, 0.03) 252: strbnd ( 0.273, -0.725, -1.181) ( 0.272, -0.726, -1.182) ( 0.02, 0.04, 0.08) 252: torsion ( 1.289, -0.354, -0.774) ( 1.289, -0.353, -0.774) ( 0.00, 0.00, 0.00) 252: oop ( -0.010, -0.056, 0.038) ( -0.009, -0.047, 0.031) ( 0.00, 0.05, 0.02) 252: vdw ( -0.361, 3.610, 5.432) ( -0.361, 3.610, 5.432) ( 0.00, 0.00, 0.00) 252: electro ( -0.126, 0.033, 0.024) ( -0.126, 0.033, 0.024) ( 0.00, 0.00, 0.00) 252: 16 ( 1.094, -0.202, 0.008) ( 1.098, -0.201, 0.009) ( 0.42, 0.01, 0.00) 252: bond ( -1.105, 0.206, 0.001) ( -1.100, 0.206, 0.001) ( 0.41, 0.00, 0.00) 252: angle ( 0.001, 0.005, 0.007) ( 0.001, 0.005, 0.007) ( 0.00, 0.00, 0.00) 252: strbnd ( 3.048, -0.570, -0.001) ( 3.048, -0.570, -0.001) ( 0.00, 0.00, 0.00) 252: torsion ( -0.000, -0.001, 0.001) ( -0.000, -0.001, 0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.001, 0.000) ( -0.000, -0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.498, 0.093, 0.000) ( -0.498, 0.093, 0.001) ( 0.00, 0.00, 0.00) 252: electro ( -0.353, 0.066, 0.000) ( -0.353, 0.066, 0.000) ( 0.00, 0.00, 0.00) 252: 17 ( -1.177, -0.211, -0.630) ( -1.176, -0.211, -0.627) ( 0.12, 0.01, 0.21) 252: bond ( -0.132, 0.174, 0.223) ( -0.131, 0.175, 0.225) ( 0.01, 0.03, 0.05) 252: angle ( 1.479, 0.192, 0.711) ( 1.480, 0.192, 0.711) ( 0.05, 0.00, 0.01) 252: strbnd ( 1.315, -1.062, -1.217) ( 1.315, -1.062, -1.217) ( 0.00, 0.00, 0.00) 252: torsion ( -0.011, -0.057, 0.038) ( -0.011, -0.057, 0.038) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, 0.006, -0.004) ( 0.001, 0.005, -0.003) ( 0.00, 0.00, 0.00) 252: vdw ( -4.211, 0.450, -0.614) ( -4.210, 0.450, -0.614) ( 0.00, 0.00, 0.00) 252: electro ( 0.380, 0.086, 0.234) ( 0.380, 0.086, 0.234) ( 0.00, 0.00, 0.00) 252: 18 ( 0.347, -0.021, 0.119) ( 0.351, -0.024, 0.130) ( 0.15, 0.01, 0.13) 252: bond ( -4.885, 7.159, 9.319) ( -4.880, 7.163, 9.323) ( 0.09, 0.06, 0.05) 252: angle ( 5.152, -4.463, -5.651) ( 5.154, -4.462, -5.649) ( 0.04, 0.03, 0.03) 252: strbnd ( 0.516, 0.583, 1.171) ( 0.515, 0.582, 1.170) ( 0.03, 0.04, 0.08) 252: torsion ( 1.334, -0.130, 0.768) ( 1.334, -0.130, 0.768) ( 0.00, 0.00, 0.00) 252: oop ( 0.010, 0.051, -0.034) ( 0.008, 0.042, -0.028) ( 0.00, 0.04, 0.02) 252: vdw ( -1.650, -3.234, -5.431) ( -1.650, -3.234, -5.431) ( 0.01, 0.00, 0.00) 252: electro ( -0.129, 0.014, -0.024) ( -0.129, 0.014, -0.024) ( 0.00, 0.00, 0.00) 252: 19 ( -0.995, 0.639, 0.659) ( -0.993, 0.641, 0.661) ( 0.24, 0.13, 0.13) 252: bond ( -0.161, -0.100, -0.195) ( -0.159, -0.099, -0.193) ( 0.03, 0.01, 0.05) 252: angle ( 1.304, -0.712, -0.711) ( 1.305, -0.712, -0.711) ( 0.04, 0.01, 0.01) 252: strbnd ( 1.615, 0.513, 1.214) ( 1.615, 0.513, 1.214) ( 0.00, 0.00, 0.00) 252: torsion ( 0.011, 0.057, -0.038) ( 0.011, 0.058, -0.038) ( 0.00, 0.00, 0.00) 252: oop ( -0.001, -0.006, 0.004) ( -0.001, -0.005, 0.004) ( 0.00, 0.00, 0.00) 252: vdw ( -4.086, 1.106, 0.619) ( -4.086, 1.106, 0.619) ( 0.00, 0.00, 0.00) 252: electro ( 0.323, -0.218, -0.234) ( 0.323, -0.218, -0.234) ( 0.00, 0.00, 0.00) 252: 20 ( -0.147, 0.296, -0.160) ( -0.146, 0.299, -0.159) ( 0.02, 0.08, 0.01) 252: bond ( 0.288, -0.750, 0.412) ( 0.289, -0.747, 0.413) ( 0.01, 0.20, 0.03) 252: angle ( -1.609, -0.393, 0.414) ( -1.608, -0.393, 0.414) ( 0.04, 0.00, 0.00) 252: strbnd ( -0.388, -0.178, 0.149) ( -0.388, -0.178, 0.149) ( 0.00, 0.00, 0.00) 252: torsion ( 0.002, 0.011, 0.019) ( 0.002, 0.011, 0.019) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 1.503, 1.719, -1.212) ( 1.503, 1.719, -1.212) ( 0.00, 0.00, 0.00) 252: electro ( 0.055, -0.113, 0.056) ( 0.055, -0.113, 0.056) ( 0.00, 0.00, 0.00) 252: 21 ( -0.773, -0.355, 0.288) ( -0.771, -0.353, 0.289) ( 0.16, 0.06, 0.02) 252: bond ( -1.156, -1.042, 0.748) ( -1.154, -1.041, 0.749) ( 0.15, 0.13, 0.05) 252: angle ( -0.862, 0.717, -0.330) ( -0.861, 0.717, -0.330) ( 0.04, 0.02, 0.00) 252: strbnd ( 0.292, -0.327, 0.162) ( 0.292, -0.327, 0.162) ( 0.00, 0.00, 0.00) 252: torsion ( -0.001, -0.004, -0.007) ( -0.001, -0.004, -0.007) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.001, 0.001) ( 0.000, 0.001, 0.001) ( 0.00, 0.00, 0.00) 252: vdw ( 0.682, 0.169, -0.176) ( 0.682, 0.169, -0.176) ( 0.00, 0.00, 0.00) 252: electro ( 0.271, 0.131, -0.109) ( 0.271, 0.131, -0.109) ( 0.00, 0.00, 0.00) 252: 22 ( -0.002, -0.011, 0.010) ( -0.001, -0.009, 0.011) ( 0.00, 0.00, 0.00) 252: bond ( -0.526, 0.784, -0.542) ( -0.525, 0.786, -0.541) ( 0.04, 0.14, 0.05) 252: angle ( 1.195, -1.233, -2.949) ( 1.195, -1.233, -2.949) ( 0.03, 0.02, 0.01) 252: strbnd ( -0.255, -0.588, -0.393) ( -0.255, -0.588, -0.393) ( 0.00, 0.00, 0.00) 252: torsion ( -0.565, -0.064, 0.455) ( -0.565, -0.064, 0.455) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.149, 1.091, 3.440) ( 0.149, 1.091, 3.440) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 23 ( -0.002, -0.011, 0.000) ( -0.001, -0.010, 0.001) ( 0.00, 0.00, 0.00) 252: bond ( -0.710, -0.703, 0.394) ( -0.709, -0.701, 0.395) ( 0.11, 0.10, 0.02) 252: angle ( 0.978, -1.990, -1.779) ( 0.979, -1.990, -1.778) ( 0.03, 0.01, 0.03) 252: strbnd ( -0.228, -0.099, -0.703) ( -0.228, -0.099, -0.703) ( 0.00, 0.00, 0.00) 252: torsion ( -0.442, 0.487, 0.072) ( -0.442, 0.487, 0.072) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.399, 2.293, 2.016) ( 0.399, 2.293, 2.016) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 24 ( 0.016, 0.004, -0.000) ( 0.017, 0.005, 0.001) ( 0.00, 0.00, 0.00) 252: bond ( 0.712, -0.619, -0.845) ( 0.713, -0.618, -0.844) ( 0.08, 0.05, 0.13) 252: angle ( -4.410, -0.925, -3.048) ( -4.410, -0.925, -3.048) ( 0.01, 0.03, 0.01) 252: strbnd ( -0.899, 0.082, -0.052) ( -0.899, 0.082, -0.052) ( 0.00, 0.00, 0.00) 252: torsion ( -0.011, -0.086, 0.054) ( -0.011, -0.086, 0.054) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.624, 1.552, 3.891) ( 4.624, 1.552, 3.891) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 25 ( 0.015, 0.029, -0.030) ( 0.017, 0.030, -0.029) ( 0.00, 0.00, 0.00) 252: bond ( -0.752, -0.529, 0.528) ( -0.750, -0.529, 0.529) ( 0.13, 0.05, 0.04) 252: angle ( 1.555, 0.717, 2.924) ( 1.555, 0.718, 2.924) ( 0.02, 0.03, 0.01) 252: strbnd ( -0.027, 0.641, 0.396) ( -0.027, 0.641, 0.396) ( 0.00, 0.00, 0.00) 252: torsion ( -0.505, 0.263, -0.453) ( -0.505, 0.263, -0.453) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.257, -1.063, -3.425) ( -0.257, -1.063, -3.425) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 26 ( -0.016, -0.001, -0.020) ( -0.014, -0.000, -0.018) ( 0.00, 0.00, 0.00) 252: bond ( 0.867, 0.313, 0.819) ( 0.869, 0.313, 0.821) ( 0.15, 0.01, 0.12) 252: angle ( -3.775, 2.481, 3.047) ( -3.775, 2.482, 3.047) ( 0.01, 0.02, 0.01) 252: strbnd ( -0.869, 0.249, 0.057) ( -0.869, 0.249, 0.057) ( 0.00, 0.00, 0.00) 252: torsion ( 0.019, 0.079, -0.051) ( 0.019, 0.079, -0.051) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.742, -3.123, -3.893) ( 3.742, -3.123, -3.893) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 27 ( 0.012, -0.017, 0.007) ( 0.013, -0.015, 0.008) ( 0.00, 0.00, 0.00) 252: bond ( -0.401, 0.886, -0.386) ( -0.401, 0.889, -0.385) ( 0.02, 0.22, 0.02) 252: angle ( 1.642, 1.513, 1.782) ( 1.642, 1.513, 1.783) ( 0.02, 0.01, 0.03) 252: strbnd ( -0.174, 0.171, 0.708) ( -0.174, 0.170, 0.708) ( 0.00, 0.00, 0.00) 252: torsion ( -0.590, -0.296, -0.070) ( -0.590, -0.296, -0.070) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.465, -2.291, -2.028) ( -0.465, -2.291, -2.028) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 34 # gradients 252: ok 35 # energy 252: ---------------------------------------------------------------------------------------- 252: 252: VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr 252: 252: 252: ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%) 252: ---------------------------------------------------------------------------------------- 252: 1 ( 31.424, -0.200, 18.228) ( 31.429, -0.198, 18.233) ( 0.02, 0.05, 0.03) 252: bond ( 17.093, 4.746, 20.403) ( 17.097, 4.747, 20.407) ( 0.02, 0.02, 0.02) 252: angle ( 10.823, -6.670, -7.661) ( 10.824, -6.668, -7.659) ( 0.02, 0.03, 0.02) 252: strbnd ( -1.302, -1.496, -3.384) ( -1.303, -1.496, -3.384) ( 0.04, 0.04, 0.02) 252: torsion ( -0.752, -0.481, -0.404) ( -0.752, -0.481, -0.404) ( 0.01, 0.01, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.697, 3.940, 6.118) ( 2.697, 3.940, 6.118) ( 0.00, 0.00, 0.00) 252: electro ( 2.864, -0.239, 3.155) ( 2.864, -0.239, 3.155) ( 0.00, 0.00, 0.00) 252: 2 (-36.010, 4.515, 17.051) (-36.005, 4.520, 17.057) ( 0.01, 0.12, 0.03) 252: bond (-27.113, -0.560, 3.022) (-27.109, -0.556, 3.026) ( 0.02, 0.22, 0.12) 252: angle (-10.986, 1.327, 1.389) (-10.984, 1.329, 1.391) ( 0.02, 0.14, 0.17) 252: strbnd ( 6.026, 1.292, 2.785) ( 6.025, 1.291, 2.784) ( 0.02, 0.04, 0.03) 252: torsion ( 0.387, 2.102, 1.063) ( 0.387, 2.103, 1.063) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.974, -1.076, 6.259) ( -5.974, -1.076, 6.260) ( 0.00, 0.00, 0.00) 252: electro ( 1.650, 1.429, 2.533) ( 1.650, 1.429, 2.533) ( 0.00, 0.00, 0.00) 252: 3 (-11.045, -13.207, 11.272) (-11.039, -13.201, 11.277) ( 0.05, 0.04, 0.05) 252: bond ( -2.739, -3.315, 12.969) ( -2.735, -3.311, 12.974) ( 0.14, 0.12, 0.03) 252: angle ( 0.437, -11.359, -0.705) ( 0.439, -11.357, -0.703) ( 0.09, 0.02, 0.14) 252: strbnd ( 1.387, 2.155, -8.533) ( 1.387, 2.154, -8.535) ( 0.02, 0.03, 0.02) 252: torsion ( -2.416, 1.078, 0.854) ( -2.416, 1.078, 0.855) ( 0.00, 0.01, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -6.807, -1.527, 6.510) ( -6.807, -1.527, 6.510) ( 0.00, 0.00, 0.00) 252: electro ( -0.907, -0.238, 0.176) ( -0.907, -0.238, 0.176) ( 0.00, 0.00, 0.00) 252: 4 ( -4.273, 7.522, -3.211) ( -4.268, 7.525, -3.205) ( 0.13, 0.04, 0.18) 252: bond ( 0.949, -2.282, 0.268) ( 0.953, -2.280, 0.273) ( 0.43, 0.06, 0.13) 252: angle ( 0.591, 21.684, 6.844) ( 0.593, 21.686, 6.845) ( 0.09, 0.01, 0.02) 252: strbnd ( 1.406, -5.851, -0.013) ( 1.406, -5.852, -0.014) ( 0.04, 0.01, 0.00) 252: torsion ( 0.184, -1.989, -0.339) ( 0.185, -1.989, -0.339) ( 0.00, 0.01, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -5.463, -3.294, -7.182) ( -5.463, -3.294, -7.182) ( 0.00, 0.00, 0.00) 252: electro ( -1.941, -0.746, -2.788) ( -1.941, -0.746, -2.788) ( 0.00, 0.00, 0.00) 252: 5 ( 15.539, -6.936, -11.710) ( 15.544, -6.931, -11.704) ( 0.03, 0.08, 0.05) 252: bond ( 13.334, 0.629, -1.309) ( 13.339, 0.633, -1.305) ( 0.04, 0.25, 0.29) 252: angle ( 2.816, -10.985, -2.204) ( 2.818, -10.983, -2.202) ( 0.07, 0.02, 0.10) 252: strbnd ( -8.882, -0.451, 0.327) ( -8.883, -0.452, 0.326) ( 0.02, 0.02, 0.01) 252: torsion ( 0.798, 1.843, -1.911) ( 0.798, 1.843, -1.911) ( 0.00, 0.01, 0.01) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.392, 1.990, -5.711) ( 7.392, 1.990, -5.711) ( 0.00, 0.00, 0.00) 252: electro ( 0.082, 0.038, -0.901) ( 0.082, 0.038, -0.901) ( 0.00, 0.00, 0.00) 252: 6 ( 19.460, 15.761, -31.866) ( 19.465, 15.766, -31.861) ( 0.03, 0.03, 0.02) 252: bond ( 5.775, 7.666, -25.091) ( 5.778, 7.670, -25.086) ( 0.07, 0.05, 0.02) 252: angle ( 1.263, 4.370, -10.670) ( 1.265, 4.372, -10.668) ( 0.18, 0.05, 0.02) 252: strbnd ( 1.829, 0.313, 6.376) ( 1.828, 0.312, 6.375) ( 0.03, 0.02, 0.02) 252: torsion ( 2.320, 0.305, 0.903) ( 2.321, 0.305, 0.903) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 7.013, 1.540, -5.601) ( 7.013, 1.540, -5.601) ( 0.00, 0.00, 0.00) 252: electro ( 1.260, 1.567, 2.216) ( 1.260, 1.567, 2.216) ( 0.00, 0.00, 0.00) 252: 7 ( -5.272, -8.082, -8.394) ( -5.266, -8.076, -8.389) ( 0.11, 0.07, 0.07) 252: bond ( -5.766, -6.148, -8.390) ( -5.762, -6.144, -8.385) ( 0.07, 0.07, 0.05) 252: angle ( -0.655, -5.211, -2.282) ( -0.653, -5.209, -2.280) ( 0.12, 0.03, 0.08) 252: strbnd ( 5.025, 4.822, 7.145) ( 5.024, 4.821, 7.144) ( 0.01, 0.02, 0.01) 252: torsion ( 0.524, -0.894, 0.352) ( 0.524, -0.894, 0.352) ( 0.00, 0.01, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -4.384, -0.621, -5.255) ( -4.383, -0.621, -5.255) ( 0.00, 0.00, 0.00) 252: electro ( -0.016, -0.029, 0.035) ( -0.016, -0.029, 0.035) ( 0.00, 0.00, 0.00) 252: 8 ( 1.728, 10.474, 24.887) ( 1.734, 10.474, 24.938) ( 0.32, 0.00, 0.20) 252: bond ( 11.385, -12.341, -10.198) ( 11.388, -12.332, -10.191) ( 0.03, 0.07, 0.07) 252: angle (-32.172, 28.633, 36.543) (-32.169, 28.635, 36.546) ( 0.01, 0.01, 0.01) 252: strbnd ( 23.556, -6.610, -5.451) ( 23.555, -6.611, -5.452) ( 0.00, 0.02, 0.02) 252: torsion ( 0.338, -1.851, 0.344) ( 0.338, -1.851, 0.344) ( 0.00, 0.00, 0.00) 252: oop ( -0.005, 0.056, -0.231) ( -0.004, 0.046, -0.190) ( 0.00, 0.06, 0.96) 252: vdw ( 1.478, 1.254, 4.534) ( 1.478, 1.254, 4.535) ( 0.01, 0.00, 0.00) 252: electro ( -2.852, 1.333, -0.654) ( -2.852, 1.333, -0.654) ( 0.00, 0.00, 0.00) 252: 9 ( 8.282, -17.496, -4.338) ( 8.284, -17.494, -4.331) ( 0.02, 0.01, 0.14) 252: bond ( 1.485, 1.600, -4.386) ( 1.486, 1.600, -4.380) ( 0.05, 0.05, 0.14) 252: angle ( 5.763, -17.078, -4.285) ( 5.764, -17.078, -4.285) ( 0.01, 0.00, 0.00) 252: strbnd ( -0.447, -2.536, 3.420) ( -0.447, -2.536, 3.420) ( 0.00, 0.00, 0.00) 252: torsion ( 0.480, 0.079, 0.191) ( 0.480, 0.079, 0.191) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.856, 0.959, 2.952) ( 1.856, 0.959, 2.952) ( 0.00, 0.00, 0.00) 252: electro ( -0.854, -0.519, -2.230) ( -0.854, -0.519, -2.230) ( 0.00, 0.00, 0.00) 252: 10 ( 12.548, 0.140, -14.985) ( 12.549, 0.147, -14.984) ( 0.01, 0.10, 0.01) 252: bond ( 0.309, -3.128, 0.485) ( 0.309, -3.121, 0.485) ( 0.00, 0.24, 0.01) 252: angle ( 15.756, -0.811, -15.260) ( 15.757, -0.811, -15.259) ( 0.00, 0.00, 0.01) 252: strbnd ( 0.664, 2.939, -1.490) ( 0.664, 2.939, -1.490) ( 0.00, 0.00, 0.00) 252: torsion ( -1.106, -0.157, -0.307) ( -1.106, -0.157, -0.307) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.387, 3.365, 2.847) ( -2.387, 3.365, 2.847) ( 0.00, 0.00, 0.00) 252: electro ( -0.689, -2.068, -1.261) ( -0.689, -2.068, -1.261) ( 0.00, 0.00, 0.00) 252: 11 (-10.575, -8.846, -5.661) (-10.571, -8.813, -5.772) ( 0.03, 0.38, 1.96) 252: bond ( -6.709, 1.922, 1.059) ( -6.705, 1.927, 1.060) ( 0.06, 0.26, 0.04) 252: angle ( 24.355, -15.184, -15.338) ( 24.357, -15.182, -15.338) ( 0.01, 0.01, 0.00) 252: strbnd (-18.936, 1.986, 0.297) (-18.936, 1.986, 0.297) ( 0.00, 0.00, 0.00) 252: torsion ( 0.305, -0.296, 4.647) ( 0.305, -0.296, 4.648) ( 0.00, 0.00, 0.02) 252: oop ( 0.009, -0.160, 0.679) ( 0.007, -0.133, 0.566) ( 0.00, 0.43, 7.65) 252: vdw ( -9.578, 2.904, 3.010) ( -9.577, 2.904, 3.010) ( 0.00, 0.00, 0.00) 252: electro ( -0.021, -0.018, -0.016) ( -0.021, -0.018, -0.016) ( 0.00, 0.00, 0.00) 252: 12 (-24.157, 0.640, -1.425) (-24.149, 0.633, -1.363) ( 0.03, 0.45, 4.37) 252: bond ( 1.922, 0.917, 0.032) ( 1.927, 0.922, 0.032) ( 0.28, 0.47, 0.00) 252: angle ( -9.984, 2.922, 1.064) ( -9.983, 2.923, 1.065) ( 0.02, 0.05, 0.01) 252: strbnd (-10.267, 7.335, 1.838) (-10.267, 7.335, 1.838) ( 0.00, 0.00, 0.00) 252: torsion ( -0.034, 0.453, -2.054) ( -0.034, 0.453, -2.053) ( 0.00, 0.00, 0.06) 252: oop ( -0.004, 0.086, -0.378) ( -0.003, 0.072, -0.317) ( 0.00, 0.12, 2.29) 252: vdw ( -6.756, -10.594, -1.657) ( -6.755, -10.594, -1.657) ( 0.00, 0.00, 0.00) 252: electro ( 0.966, -0.478, -0.270) ( 0.966, -0.478, -0.270) ( 0.00, 0.00, 0.00) 252: 13 ( 9.671, -18.090, -9.125) ( 9.679, -18.096, -9.073) ( 0.08, 0.03, 0.57) 252: bond ( 3.557, 7.206, 1.481) ( 3.562, 7.211, 1.482) ( 0.15, 0.07, 0.03) 252: angle ( 3.498, -21.802, -5.738) ( 3.500, -21.801, -5.738) ( 0.04, 0.01, 0.00) 252: strbnd ( 11.124, 5.598, 1.224) ( 11.124, 5.598, 1.224) ( 0.00, 0.00, 0.00) 252: torsion ( -0.010, 0.214, -0.783) ( -0.010, 0.214, -0.782) ( 0.00, 0.00, 0.10) 252: oop ( -0.007, 0.075, -0.292) ( -0.006, 0.062, -0.242) ( 0.00, 0.09, 1.46) 252: vdw ( -8.946, -9.231, -4.972) ( -8.946, -9.231, -4.972) ( 0.00, 0.00, 0.00) 252: electro ( 0.455, -0.149, -0.044) ( 0.455, -0.149, -0.044) ( 0.00, 0.00, 0.00) 252: 14 (-13.663, -2.396, 4.950) (-13.657, -2.371, 4.880) ( 0.04, 1.04, 1.41) 252: bond (-26.978, 13.126, 4.300) (-26.972, 13.131, 4.300) ( 0.02, 0.03, 0.01) 252: angle (-18.118, -9.493, 4.254) (-18.116, -9.491, 4.254) ( 0.01, 0.02, 0.00) 252: strbnd ( 29.827, -3.579, -1.396) ( 29.826, -3.579, -1.395) ( 0.00, 0.00, 0.01) 252: torsion ( -0.134, -1.037, 2.744) ( -0.134, -1.037, 2.746) ( 0.00, 0.01, 0.04) 252: oop ( 0.011, -0.106, 0.410) ( 0.009, -0.087, 0.339) ( 0.00, 0.20, 2.94) 252: vdw ( 1.699, -1.418, -5.301) ( 1.699, -1.418, -5.301) ( 0.01, 0.01, 0.00) 252: electro ( 0.030, 0.111, -0.061) ( 0.030, 0.111, -0.061) ( 0.00, 0.00, 0.00) 252: 15 ( 13.797, -14.175, -4.609) ( 13.759, -14.176, -4.431) ( 0.28, 0.01, 3.87) 252: bond ( -5.136, -10.558, -3.032) ( -5.131, -10.553, -3.032) ( 0.09, 0.04, 0.02) 252: angle ( 2.758, -11.175, 3.017) ( 2.760, -11.174, 3.017) ( 0.07, 0.02, 0.00) 252: strbnd ( 9.858, -2.806, -1.156) ( 9.859, -2.806, -1.156) ( 0.00, 0.00, 0.01) 252: torsion ( -0.006, 0.855, -3.398) ( -0.006, 0.855, -3.397) ( 0.00, 0.01, 0.04) 252: oop ( 0.274, 0.043, -1.066) ( 0.229, 0.036, -0.889) ( 1.23, 0.03, 16.55) 252: vdw ( 6.480, 9.337, 1.077) ( 6.480, 9.337, 1.077) ( 0.00, 0.00, 0.00) 252: electro ( -0.432, 0.129, -0.052) ( -0.432, 0.129, -0.052) ( 0.00, 0.00, 0.00) 252: 16 (-18.628, 20.328, 6.654) (-18.621, 20.351, 6.601) ( 0.04, 0.11, 0.80) 252: bond ( 8.237, -4.438, -0.410) ( 8.242, -4.433, -0.410) ( 0.06, 0.11, 0.02) 252: angle (-15.113, 19.214, 5.231) (-15.111, 19.215, 5.231) ( 0.01, 0.01, 0.00) 252: strbnd ( -4.665, -2.331, -0.554) ( -4.666, -2.331, -0.554) ( 0.00, 0.01, 0.00) 252: torsion ( 0.007, 0.399, -1.363) ( 0.007, 0.399, -1.362) ( 0.00, 0.00, 0.09) 252: oop ( -0.002, -0.093, 0.333) ( -0.001, -0.078, 0.278) ( 0.00, 0.14, 1.84) 252: vdw ( -7.680, 8.051, 3.527) ( -7.680, 8.051, 3.527) ( 0.00, 0.00, 0.00) 252: electro ( 0.588, -0.473, -0.110) ( 0.588, -0.473, -0.110) ( 0.00, 0.00, 0.00) 252: 17 ( -6.589, 20.521, 5.019) ( -6.584, 20.520, 5.042) ( 0.08, 0.00, 0.45) 252: bond ( 2.115, 1.161, -0.091) ( 2.119, 1.164, -0.091) ( 0.20, 0.31, 0.00) 252: angle ( 25.721, 28.686, 2.043) ( 25.721, 28.687, 2.043) ( 0.00, 0.00, 0.01) 252: strbnd (-34.795, -0.918, 2.926) (-34.795, -0.918, 2.926) ( 0.00, 0.00, 0.01) 252: torsion ( 0.088, -0.609, 5.097) ( 0.088, -0.609, 5.098) ( 0.00, 0.00, 0.01) 252: oop ( -0.003, 0.029, -0.113) ( -0.002, 0.024, -0.092) ( 0.00, 0.02, 0.25) 252: vdw ( 0.333, -8.190, -5.814) ( 0.333, -8.190, -5.813) ( 0.00, 0.00, 0.00) 252: electro ( -0.048, 0.362, 0.971) ( -0.048, 0.362, 0.971) ( 0.00, 0.00, 0.00) 252: 18 ( 4.901, -9.780, -7.635) ( 4.906, -9.775, -7.629) ( 0.12, 0.05, 0.07) 252: bond ( 8.725, -11.934, -3.140) ( 8.729, -11.929, -3.136) ( 0.04, 0.04, 0.13) 252: angle ( -9.764, -7.159, -6.067) ( -9.762, -7.157, -6.065) ( 0.02, 0.03, 0.03) 252: strbnd ( -5.015, 10.337, 3.735) ( -5.015, 10.336, 3.735) ( 0.00, 0.02, 0.02) 252: torsion ( -0.197, 1.065, -2.228) ( -0.197, 1.065, -2.228) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 10.854, -1.808, 0.220) ( 10.854, -1.808, 0.220) ( 0.00, 0.00, 0.00) 252: electro ( 0.296, -0.282, -0.155) ( 0.296, -0.282, -0.155) ( 0.00, 0.00, 0.00) 252: 19 ( 3.262, -11.126, 7.782) ( 3.268, -11.121, 7.787) ( 0.17, 0.05, 0.06) 252: bond ( 1.121, -2.081, 3.281) ( 1.125, -2.077, 3.285) ( 0.37, 0.19, 0.12) 252: angle ( -4.420, -2.772, 7.469) ( -4.418, -2.771, 7.471) ( 0.04, 0.06, 0.02) 252: strbnd ( 0.275, 1.768, -3.446) ( 0.274, 1.768, -3.447) ( 0.01, 0.03, 0.03) 252: torsion ( 2.173, -4.215, -2.094) ( 2.173, -4.215, -2.094) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.113, -3.826, 2.573) ( 4.113, -3.826, 2.573) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 20 (-13.410, 36.890, -6.616) (-13.231, 36.875, -7.066) ( 1.34, 0.04, 6.81) 252: bond (-25.048, -5.303, -9.231) (-25.043, -5.295, -9.230) ( 0.02, 0.16, 0.01) 252: angle ( 27.154, 45.020, 3.962) ( 27.157, 45.022, 3.962) ( 0.01, 0.01, 0.00) 252: strbnd ( -8.325, 2.343, -3.287) ( -8.326, 2.342, -3.287) ( 0.01, 0.03, 0.00) 252: torsion ( -0.784, 0.421, 0.853) ( -0.784, 0.421, 0.855) ( 0.01, 0.00, 0.10) 252: oop ( -1.005, 0.148, 2.652) ( -0.833, 0.123, 2.200) (17.14, 0.37, 17.06) 252: vdw ( -7.531, -5.686, -2.010) ( -7.531, -5.686, -2.010) ( 0.00, 0.00, 0.00) 252: electro ( 2.129, -0.052, 0.444) ( 2.129, -0.052, 0.444) ( 0.00, 0.00, 0.00) 252: 21 (-27.162, 29.352, -13.784) (-27.190, 29.364, -13.696) ( 0.10, 0.04, 0.64) 252: bond ( 1.411, -0.192, 0.529) ( 1.413, -0.184, 0.530) ( 0.16, 0.16, 0.02) 252: angle (-46.884, 20.267, -18.839) (-46.882, 20.268, -18.839) ( 0.00, 0.00, 0.00) 252: strbnd ( 12.752, 3.510, 4.513) ( 12.751, 3.510, 4.513) ( 0.00, 0.00, 0.00) 252: torsion ( -0.598, 0.098, 1.696) ( -0.597, 0.098, 1.697) ( 0.01, 0.00, 0.05) 252: oop ( 0.246, -0.028, -0.654) ( 0.213, -0.025, -0.567) ( 0.80, 0.01, 5.70) 252: vdw ( 4.514, 7.067, -1.941) ( 4.514, 7.067, -1.941) ( 0.00, 0.00, 0.00) 252: electro ( 1.398, -1.371, 0.911) ( 1.398, -1.371, 0.911) ( 0.00, 0.00, 0.00) 252: 22 ( 25.373, -3.530, 11.099) ( 25.354, -3.518, 11.172) ( 0.08, 0.35, 0.65) 252: bond ( 5.877, -7.278, 2.737) ( 5.883, -7.273, 2.738) ( 0.10, 0.07, 0.03) 252: angle ( 43.794, -7.031, 17.104) ( 43.796, -7.028, 17.104) ( 0.00, 0.03, 0.00) 252: strbnd (-22.680, -3.722, -8.477) (-22.681, -3.722, -8.477) ( 0.00, 0.01, 0.00) 252: torsion ( 0.130, -0.036, -0.336) ( 0.130, -0.036, -0.335) ( 0.00, 0.00, 0.04) 252: oop ( 0.109, -0.020, -0.288) ( 0.082, -0.015, -0.218) ( 0.29, 0.01, 2.03) 252: vdw ( -2.056, 15.026, 0.263) ( -2.056, 15.026, 0.263) ( 0.00, 0.00, 0.00) 252: electro ( 0.200, -0.470, 0.097) ( 0.200, -0.470, 0.097) ( 0.00, 0.00, 0.00) 252: 23 (-25.753, -35.180, -7.611) (-25.763, -35.169, -7.561) ( 0.04, 0.03, 0.66) 252: bond ( -0.604, -30.983, 1.773) ( -0.599, -30.977, 1.774) ( 0.32, 0.02, 0.05) 252: angle (-36.863, -14.117, -12.692) (-36.861, -14.115, -12.691) ( 0.01, 0.01, 0.00) 252: strbnd ( 7.549, 3.290, 2.655) ( 7.548, 3.290, 2.655) ( 0.01, 0.03, 0.01) 252: torsion ( 0.142, -0.020, -0.374) ( 0.142, -0.020, -0.373) ( 0.00, 0.00, 0.04) 252: oop ( 0.061, -0.009, -0.157) ( 0.042, -0.006, -0.109) ( 0.11, 0.00, 0.76) 252: vdw ( 4.758, 7.545, 1.424) ( 4.758, 7.546, 1.424) ( 0.00, 0.00, 0.00) 252: electro ( -0.795, -0.886, -0.241) ( -0.795, -0.886, -0.241) ( 0.00, 0.00, 0.00) 252: 24 ( -0.951, 42.977, -2.589) ( -0.872, 42.973, -2.760) ( 7.57, 0.01, 6.61) 252: bond ( -7.128, 36.476, -5.032) ( -7.118, 36.481, -5.030) ( 0.14, 0.02, 0.03) 252: angle ( 3.045, 5.260, 0.441) ( 3.047, 5.262, 0.441) ( 0.07, 0.05, 0.02) 252: strbnd ( 3.284, 4.936, 0.917) ( 3.283, 4.934, 0.917) ( 0.03, 0.02, 0.03) 252: torsion ( -0.021, -0.004, 0.079) ( -0.021, -0.004, 0.080) ( 0.00, 0.00, 0.01) 252: oop ( -0.326, 0.056, 0.831) ( -0.258, 0.044, 0.657) ( 2.23, 0.06, 14.42) 252: vdw ( 3.476, -4.869, 1.621) ( 3.476, -4.869, 1.621) ( 0.00, 0.00, 0.00) 252: electro ( -3.281, 1.124, -1.446) ( -3.281, 1.124, -1.446) ( 0.00, 0.00, 0.00) 252: 25 ( 2.353, -57.543, 5.157) ( 2.241, -57.512, 5.467) ( 4.76, 0.05, 5.99) 252: bond ( 8.283, 2.133, 2.726) ( 8.290, 2.140, 2.727) ( 0.08, 0.31, 0.03) 252: angle ( -6.422, -45.385, 1.001) ( -6.420, -45.383, 1.001) ( 0.02, 0.01, 0.03) 252: strbnd (-10.186, -7.939, -3.501) (-10.187, -7.938, -3.501) ( 0.00, 0.00, 0.00) 252: torsion ( 0.679, -0.052, -1.804) ( 0.679, -0.052, -1.802) ( 0.01, 0.00, 0.06) 252: oop ( 0.701, -0.126, -1.797) ( 0.581, -0.105, -1.490) ( 8.39, 0.25, 17.08) 252: vdw ( 8.959, -7.735, 8.017) ( 8.959, -7.735, 8.017) ( 0.00, 0.01, 0.00) 252: electro ( 0.340, 1.560, 0.515) ( 0.340, 1.560, 0.515) ( 0.00, 0.00, 0.00) 252: 26 (-24.471, -19.645, -3.911) (-24.482, -19.634, -3.861) ( 0.04, 0.05, 1.28) 252: bond (-24.696, 9.518, -10.388) (-24.690, 9.523, -10.387) ( 0.03, 0.05, 0.01) 252: angle ( -7.991, -22.014, -4.231) ( -7.989, -22.012, -4.230) ( 0.02, 0.01, 0.01) 252: strbnd ( 7.348, -6.906, 2.805) ( 7.348, -6.906, 2.805) ( 0.01, 0.01, 0.00) 252: torsion ( 0.081, -0.067, -0.270) ( 0.081, -0.067, -0.270) ( 0.00, 0.00, 0.02) 252: oop ( 0.110, -0.023, -0.279) ( 0.091, -0.019, -0.231) ( 0.20, 0.01, 1.33) 252: vdw ( 0.759, -0.386, 8.493) ( 0.759, -0.386, 8.493) ( 0.00, 0.00, 0.00) 252: electro ( -0.082, 0.233, -0.042) ( -0.082, 0.233, -0.042) ( 0.00, 0.00, 0.00) 252: 27 ( 41.711, 24.030, 14.411) ( 41.729, 24.033, 14.383) ( 0.04, 0.01, 0.19) 252: bond ( 18.803, -4.833, 7.511) ( 18.809, -4.830, 7.512) ( 0.03, 0.06, 0.01) 252: angle ( 18.124, 40.689, 3.688) ( 18.124, 40.692, 3.688) ( 0.00, 0.01, 0.00) 252: strbnd ( 3.463, -10.759, 2.073) ( 3.463, -10.760, 2.073) ( 0.01, 0.01, 0.00) 252: torsion ( 0.026, -0.003, -0.071) ( 0.026, -0.003, -0.071) ( 0.00, 0.00, 0.00) 252: oop ( -0.076, 0.016, 0.200) ( -0.065, 0.014, 0.171) ( 0.09, 0.00, 0.58) 252: vdw ( 0.932, -1.439, 0.904) ( 0.932, -1.439, 0.904) ( 0.01, 0.00, 0.00) 252: electro ( 0.440, 0.358, 0.107) ( 0.440, 0.358, 0.107) ( 0.00, 0.00, 0.00) 252: 28 ( 11.710, -34.700, 6.799) ( 11.713, -34.692, 6.813) ( 0.02, 0.02, 0.21) 252: bond ( 10.457, 12.301, 2.949) ( 10.462, 12.307, 2.950) ( 0.05, 0.05, 0.03) 252: angle ( -9.168, -55.992, 0.592) ( -9.166, -55.990, 0.592) ( 0.03, 0.00, 0.03) 252: strbnd ( 10.254, 8.892, 3.121) ( 10.253, 8.891, 3.121) ( 0.01, 0.01, 0.00) 252: torsion ( -0.078, 0.016, 0.208) ( -0.078, 0.016, 0.209) ( 0.00, 0.00, 0.01) 252: oop ( 0.033, -0.007, -0.088) ( 0.029, -0.006, -0.076) ( 0.02, 0.00, 0.11) 252: vdw ( 0.152, 1.397, -0.108) ( 0.152, 1.397, -0.108) ( 0.00, 0.00, 0.00) 252: electro ( 0.061, -1.307, 0.124) ( 0.061, -1.307, 0.124) ( 0.00, 0.00, 0.00) 252: 29 ( 15.903, 4.286, 5.958) ( 15.892, 4.291, 6.006) ( 0.07, 0.11, 0.81) 252: bond ( 4.738, -2.006, 1.986) ( 4.745, -2.005, 1.987) ( 0.15, 0.06, 0.06) 252: angle ( 4.344, 11.246, 0.976) ( 4.344, 11.247, 0.976) ( 0.00, 0.01, 0.00) 252: strbnd ( 8.204, -1.157, 3.293) ( 8.204, -1.157, 3.293) ( 0.00, 0.02, 0.00) 252: torsion ( -0.055, 0.010, 0.143) ( -0.055, 0.010, 0.143) ( 0.00, 0.00, 0.00) 252: oop ( 0.076, -0.012, -0.195) ( 0.058, -0.009, -0.148) ( 0.14, 0.00, 0.91) 252: vdw ( -0.237, -3.506, 0.148) ( -0.237, -3.506, 0.148) ( 0.00, 0.00, 0.00) 252: electro ( -1.166, -0.288, -0.392) ( -1.166, -0.288, -0.392) ( 0.00, 0.00, 0.00) 252: 30 ( -2.074, 31.175, -2.945) ( -2.064, 31.180, -2.953) ( 0.46, 0.02, 0.26) 252: bond ( -4.277, 0.277, -1.598) ( -4.272, 0.282, -1.594) ( 0.12, 0.12, 0.27) 252: angle ( 12.189, 27.647, 2.441) ( 12.190, 27.649, 2.443) ( 0.02, 0.01, 0.06) 252: strbnd (-12.899, -0.004, -4.802) (-12.901, -0.005, -4.803) ( 0.02, 0.00, 0.01) 252: torsion ( -0.029, -0.010, 0.078) ( -0.029, -0.010, 0.078) ( 0.00, 0.00, 0.00) 252: oop ( -0.021, 0.004, 0.055) ( -0.016, 0.003, 0.042) ( 0.01, 0.00, 0.07) 252: vdw ( 2.572, 3.686, 0.693) ( 2.572, 3.686, 0.693) ( 0.00, 0.00, 0.00) 252: electro ( 0.391, -0.425, 0.188) ( 0.391, -0.425, 0.188) ( 0.00, 0.00, 0.00) 252: 31 ( -1.650, -0.829, 5.649) ( -1.630, -0.826, 5.618) ( 1.18, 0.22, 0.55) 252: bond ( 2.316, -1.013, 0.462) ( 2.320, -1.009, 0.466) ( 0.17, 0.39, 0.18) 252: angle ( -1.033, -3.283, 3.719) ( -1.030, -3.281, 3.721) ( 0.20, 0.06, 0.05) 252: strbnd ( -1.912, 0.920, -0.790) ( -1.913, 0.919, -0.791) ( 0.04, 0.06, 0.08) 252: torsion ( -0.089, 0.197, 0.525) ( -0.089, 0.197, 0.525) ( 0.00, 0.00, 0.01) 252: oop ( -0.059, 0.012, 0.150) ( -0.045, 0.010, 0.114) ( 0.08, 0.00, 0.53) 252: vdw ( -0.575, 2.524, 1.662) ( -0.575, 2.524, 1.662) ( 0.00, 0.00, 0.00) 252: electro ( -0.297, -0.187, -0.080) ( -0.297, -0.187, -0.080) ( 0.00, 0.00, 0.00) 252: 32 ( -0.533, 9.885, -5.279) ( -0.528, 9.891, -5.275) ( 0.30, 0.05, 0.09) 252: bond ( -0.397, 0.967, 0.156) ( -0.393, 0.971, 0.160) ( 0.16, 0.37, 0.06) 252: angle ( 1.310, 8.321, -3.491) ( 1.312, 8.323, -3.489) ( 0.14, 0.02, 0.06) 252: strbnd ( 0.932, -1.664, -0.673) ( 0.932, -1.665, -0.674) ( 0.03, 0.04, 0.07) 252: torsion ( -1.283, 1.507, 0.186) ( -1.282, 1.508, 0.186) ( 0.01, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.096, 0.754, -1.457) ( -1.096, 0.754, -1.457) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 33 ( -0.762, -6.186, -6.819) ( -0.756, -6.181, -6.814) ( 0.42, 0.08, 0.08) 252: bond ( -0.257, 0.740, -0.064) ( -0.253, 0.744, -0.060) ( 0.11, 0.30, 0.03) 252: angle ( -0.057, -7.999, -0.743) ( -0.055, -7.998, -0.742) ( 0.01, 0.02, 0.13) 252: strbnd ( -0.135, 0.372, 0.957) ( -0.135, 0.371, 0.957) ( 0.01, 0.03, 0.07) 252: torsion ( 0.594, 0.454, -0.563) ( 0.594, 0.454, -0.563) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.907, 0.247, -6.406) ( -0.907, 0.247, -6.406) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 34 ( 3.845, -11.220, 1.372) ( 3.846, -11.218, 1.373) ( 0.03, 0.02, 0.05) 252: bond ( 5.169, -14.116, 0.695) ( 5.169, -14.113, 0.695) ( 0.01, 0.02, 0.01) 252: angle ( 3.342, 1.196, -0.586) ( 3.343, 1.196, -0.585) ( 0.02, 0.01, 0.03) 252: strbnd ( -1.346, -0.265, -0.102) ( -1.346, -0.265, -0.102) ( 0.00, 0.00, 0.00) 252: torsion ( 0.449, 0.094, -1.417) ( 0.449, 0.094, -1.417) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.769, 1.870, 2.782) ( -3.769, 1.870, 2.782) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 35 ( 3.186, 4.348, -12.560) ( 3.187, 4.349, -12.557) ( 0.03, 0.02, 0.02) 252: bond ( 3.564, 5.536, -13.771) ( 3.564, 5.537, -13.769) ( 0.01, 0.01, 0.02) 252: angle ( 4.272, 0.896, 1.466) ( 4.273, 0.896, 1.466) ( 0.01, 0.04, 0.01) 252: strbnd ( -1.404, -0.280, 0.081) ( -1.404, -0.280, 0.081) ( 0.00, 0.00, 0.00) 252: torsion ( -0.176, -0.765, -0.353) ( -0.176, -0.765, -0.353) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -3.070, -1.039, 0.017) ( -3.070, -1.039, 0.017) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 36 ( 12.939, -0.809, 0.266) ( 12.942, -0.808, 0.266) ( 0.02, 0.05, 0.02) 252: bond ( 14.948, -0.872, -2.186) ( 14.951, -0.871, -2.186) ( 0.02, 0.01, 0.01) 252: angle ( -0.194, -0.295, -1.209) ( -0.194, -0.294, -1.209) ( 0.00, 0.01, 0.05) 252: strbnd ( -0.620, 0.104, 0.833) ( -0.620, 0.104, 0.833) ( 0.00, 0.00, 0.00) 252: torsion ( 0.055, 0.235, 0.284) ( 0.055, 0.235, 0.284) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.250, 0.018, 2.544) ( -1.250, 0.018, 2.544) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 37 ( -3.970, 10.635, 0.243) ( -3.969, 10.638, 0.244) ( 0.02, 0.03, 0.02) 252: bond ( -3.964, 14.301, -1.740) ( -3.964, 14.304, -1.740) ( 0.01, 0.02, 0.01) 252: angle ( 0.591, -0.040, -1.679) ( 0.592, -0.040, -1.678) ( 0.03, 0.00, 0.03) 252: strbnd ( 0.204, -0.463, 0.799) ( 0.204, -0.463, 0.799) ( 0.00, 0.00, 0.00) 252: torsion ( 1.285, 0.262, -0.775) ( 1.285, 0.262, -0.775) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.086, -3.424, 3.639) ( -2.086, -3.424, 3.639) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 38 ( -0.865, -4.190, 12.257) ( -0.865, -4.189, 12.259) ( 0.07, 0.02, 0.02) 252: bond ( -3.389, -5.369, 13.737) ( -3.388, -5.369, 13.739) ( 0.01, 0.01, 0.02) 252: angle ( -1.029, -0.520, -0.457) ( -1.029, -0.520, -0.457) ( 0.05, 0.02, 0.00) 252: strbnd ( 0.813, 0.452, -0.424) ( 0.813, 0.452, -0.424) ( 0.00, 0.00, 0.00) 252: torsion ( 0.168, 0.305, 0.160) ( 0.168, 0.305, 0.160) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.572, 0.942, -0.759) ( 2.572, 0.942, -0.759) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 39 ( -2.366, 11.043, -1.302) ( -2.365, 11.045, -1.301) ( 0.04, 0.02, 0.05) 252: bond ( -5.175, 13.998, -0.756) ( -5.174, 14.001, -0.756) ( 0.01, 0.02, 0.01) 252: angle ( -1.747, -0.629, 0.301) ( -1.746, -0.629, 0.301) ( 0.03, 0.00, 0.01) 252: strbnd ( 0.846, -0.285, 0.215) ( 0.846, -0.285, 0.215) ( 0.00, 0.00, 0.00) 252: torsion ( -0.933, -0.284, 1.129) ( -0.933, -0.284, 1.129) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 4.643, -1.758, -2.190) ( 4.643, -1.758, -2.190) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 40 (-14.084, 0.166, 1.101) (-14.081, 0.167, 1.102) ( 0.02, 0.01, 0.07) 252: bond (-15.161, 0.766, 2.378) (-15.158, 0.766, 2.378) ( 0.02, 0.01, 0.01) 252: angle ( 0.632, -0.293, 4.123) ( 0.632, -0.293, 4.124) ( 0.00, 0.01, 0.01) 252: strbnd ( 0.268, 0.146, -1.361) ( 0.268, 0.146, -1.361) ( 0.00, 0.00, 0.00) 252: torsion ( -0.102, -0.786, -0.394) ( -0.102, -0.786, -0.394) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.279, 0.334, -3.644) ( 0.280, 0.334, -3.644) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 41 ( 4.171, -11.140, 1.325) ( 4.172, -11.137, 1.325) ( 0.02, 0.02, 0.06) 252: bond ( 4.150, -14.362, 1.795) ( 4.150, -14.360, 1.795) ( 0.01, 0.02, 0.01) 252: angle ( -1.040, 0.213, 4.111) ( -1.039, 0.213, 4.111) ( 0.04, 0.00, 0.01) 252: strbnd ( 0.104, 0.125, -1.337) ( 0.104, 0.125, -1.337) ( 0.00, 0.00, 0.00) 252: torsion ( -1.377, -0.373, 0.198) ( -1.377, -0.373, 0.198) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.335, 3.257, -3.441) ( 2.335, 3.257, -3.441) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 42 ( -4.567, 10.654, -2.215) ( -4.567, 10.656, -2.215) ( 0.02, 0.03, 0.03) 252: bond ( -3.731, 13.029, -0.572) ( -3.730, 13.032, -0.572) ( 0.01, 0.02, 0.00) 252: angle ( 1.346, 0.459, 1.669) ( 1.346, 0.459, 1.669) ( 0.03, 0.00, 0.03) 252: strbnd ( -0.246, -0.135, -0.322) ( -0.246, -0.135, -0.322) ( 0.00, 0.00, 0.00) 252: torsion ( -0.006, -0.001, 0.005) ( -0.006, -0.001, 0.005) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.931, -2.698, -2.995) ( -1.931, -2.698, -2.995) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 43 ( 11.621, -1.350, -2.700) ( 11.624, -1.349, -2.700) ( 0.03, 0.04, 0.02) 252: bond ( 13.434, -0.728, -1.655) ( 13.437, -0.728, -1.655) ( 0.02, 0.01, 0.01) 252: angle ( 0.239, -0.414, 2.123) ( 0.239, -0.413, 2.123) ( 0.00, 0.02, 0.02) 252: strbnd ( -0.632, -0.208, -0.263) ( -0.633, -0.208, -0.263) ( 0.00, 0.00, 0.00) 252: torsion ( -0.014, 0.348, -0.265) ( -0.014, 0.348, -0.265) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -1.406, -0.348, -2.640) ( -1.406, -0.348, -2.640) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 44 ( -3.360, -5.091, 10.354) ( -3.359, -5.090, 10.356) ( 0.02, 0.02, 0.03) 252: bond ( -2.735, -4.743, 12.407) ( -2.734, -4.742, 12.410) ( 0.01, 0.01, 0.02) 252: angle ( 2.115, 0.037, 0.480) ( 2.115, 0.037, 0.480) ( 0.02, 0.00, 0.00) 252: strbnd ( -0.131, -0.084, -0.698) ( -0.131, -0.084, -0.698) ( 0.00, 0.00, 0.00) 252: torsion ( -0.336, 0.257, 0.024) ( -0.336, 0.257, 0.024) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.272, -0.558, -1.860) ( -2.272, -0.558, -1.860) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 45 ( 7.917, 7.582, 1.982) ( 7.919, 7.587, 1.972) ( 0.03, 0.06, 0.48) 252: bond ( 9.306, 9.280, 2.085) ( 9.308, 9.282, 2.085) ( 0.02, 0.02, 0.01) 252: angle ( -0.825, 0.781, 0.202) ( -0.825, 0.782, 0.202) ( 0.03, 0.02, 0.00) 252: strbnd ( -0.536, -0.577, -0.147) ( -0.536, -0.577, -0.147) ( 0.00, 0.00, 0.00) 252: torsion ( -0.003, 0.038, -0.155) ( -0.003, 0.038, -0.155) ( 0.00, 0.00, 0.00) 252: oop ( 0.001, -0.014, 0.060) ( 0.001, -0.012, 0.050) ( 0.00, 0.00, 0.06) 252: vdw ( 0.608, -1.936, -0.168) ( 0.608, -1.936, -0.168) ( 0.00, 0.00, 0.00) 252: electro ( -0.634, 0.010, 0.105) ( -0.634, 0.010, 0.105) ( 0.00, 0.00, 0.00) 252: 46 ( -0.949, 8.842, 2.170) ( -0.948, 8.848, 2.157) ( 0.07, 0.07, 0.57) 252: bond ( -2.236, 11.174, 2.917) ( -2.236, 11.177, 2.918) ( 0.01, 0.03, 0.01) 252: angle ( 7.037, 1.340, 0.260) ( 7.038, 1.340, 0.260) ( 0.01, 0.00, 0.00) 252: strbnd ( 0.866, -2.736, -0.746) ( 0.866, -2.736, -0.746) ( 0.00, 0.00, 0.00) 252: torsion ( 0.005, -0.155, 0.595) ( 0.005, -0.155, 0.596) ( 0.00, 0.00, 0.02) 252: oop ( 0.002, -0.022, 0.087) ( 0.001, -0.019, 0.074) ( 0.00, 0.01, 0.11) 252: vdw ( -6.676, -0.740, -0.917) ( -6.676, -0.740, -0.917) ( 0.00, 0.00, 0.00) 252: electro ( 0.054, -0.019, -0.027) ( 0.054, -0.019, -0.027) ( 0.00, 0.00, 0.00) 252: 47 ( 3.127, -7.668, -2.910) ( 3.129, -7.675, -2.873) ( 0.04, 0.09, 1.26) 252: bond ( 3.394, -11.784, -3.276) ( 3.394, -11.781, -3.275) ( 0.01, 0.03, 0.01) 252: angle ( 2.930, 0.813, 0.113) ( 2.931, 0.813, 0.113) ( 0.02, 0.00, 0.00) 252: strbnd ( -0.210, 2.122, 0.663) ( -0.210, 2.122, 0.663) ( 0.00, 0.00, 0.00) 252: torsion ( -0.017, 0.295, -1.081) ( -0.017, 0.295, -1.080) ( 0.00, 0.00, 0.03) 252: oop ( -0.001, 0.065, -0.234) ( -0.001, 0.055, -0.198) ( 0.00, 0.06, 0.85) 252: vdw ( -3.105, 0.175, 0.934) ( -3.105, 0.175, 0.934) ( 0.01, 0.00, 0.00) 252: electro ( 0.137, 0.646, -0.030) ( 0.137, 0.646, -0.030) ( 0.00, 0.00, 0.00) 252: 48 (-12.816, -1.854, 2.520) (-12.814, -1.854, 2.521) ( 0.02, 0.04, 0.03) 252: bond (-14.576, -0.381, 3.434) (-14.573, -0.381, 3.434) ( 0.02, 0.00, 0.01) 252: angle ( 0.009, -1.112, -0.086) ( 0.009, -1.111, -0.085) ( 0.00, 0.06, 0.00) 252: strbnd ( 1.318, -0.737, -0.196) ( 1.318, -0.737, -0.196) ( 0.00, 0.00, 0.00) 252: torsion ( 0.019, 0.024, 0.082) ( 0.019, 0.024, 0.082) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.413, 0.351, -0.714) ( 0.413, 0.351, -0.714) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 49 ( 5.085, 1.582, 9.404) ( 5.086, 1.583, 9.406) ( 0.02, 0.07, 0.02) 252: bond ( 5.282, 5.246, 8.963) ( 5.283, 5.247, 8.965) ( 0.01, 0.01, 0.02) 252: angle ( -6.276, 0.410, 3.458) ( -6.276, 0.410, 3.458) ( 0.01, 0.02, 0.01) 252: strbnd ( 0.301, -0.757, 0.046) ( 0.301, -0.757, 0.046) ( 0.00, 0.00, 0.00) 252: torsion ( -0.066, 0.065, 0.001) ( -0.066, 0.065, 0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 5.844, -3.382, -3.063) ( 5.844, -3.382, -3.063) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 50 ( -4.133, 12.029, -0.342) ( -4.132, 12.031, -0.341) ( 0.02, 0.02, 0.02) 252: bond ( -5.002, 12.797, 0.970) ( -5.002, 12.800, 0.970) ( 0.01, 0.02, 0.01) 252: angle ( 0.821, 0.446, -1.651) ( 0.821, 0.446, -1.650) ( 0.03, 0.00, 0.03) 252: strbnd ( 0.347, -0.722, -0.122) ( 0.347, -0.722, -0.122) ( 0.00, 0.00, 0.00) 252: torsion ( -0.174, -0.064, -0.056) ( -0.174, -0.064, -0.056) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.125, -0.429, 0.516) ( -0.125, -0.429, 0.516) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 51 ( 12.057, 2.405, -2.800) ( 12.060, 2.406, -2.799) ( 0.02, 0.02, 0.03) 252: bond ( 11.866, 0.949, -3.585) ( 11.869, 0.949, -3.584) ( 0.02, 0.01, 0.01) 252: angle ( -1.377, 2.670, -3.852) ( -1.377, 2.670, -3.852) ( 0.00, 0.02, 0.01) 252: strbnd ( -0.478, -0.001, 0.072) ( -0.478, -0.001, 0.072) ( 0.00, 0.00, 0.00) 252: torsion ( 0.190, 2.069, 1.178) ( 0.190, 2.069, 1.178) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 1.856, -3.282, 3.388) ( 1.856, -3.282, 3.388) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 52 ( -7.404, -4.012, -9.315) ( -7.403, -4.011, -9.313) ( 0.02, 0.03, 0.02) 252: bond ( -6.876, -6.421, -10.083) ( -6.875, -6.420, -10.081) ( 0.01, 0.01, 0.02) 252: angle ( 0.750, 1.477, -1.453) ( 0.750, 1.478, -1.453) ( 0.03, 0.03, 0.02) 252: strbnd ( 0.385, 0.337, 0.420) ( 0.385, 0.337, 0.420) ( 0.00, 0.00, 0.00) 252: torsion ( -1.909, 1.279, 0.487) ( -1.909, 1.279, 0.487) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.246, -0.685, 1.314) ( 0.246, -0.685, 1.314) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 53 ( 13.213, -8.643, 4.216) ( 13.227, -8.641, 4.183) ( 0.11, 0.02, 0.79) 252: bond ( 1.222, -10.271, 1.446) ( 1.222, -10.266, 1.446) ( 0.00, 0.05, 0.00) 252: angle ( 5.790, 0.964, 1.949) ( 5.790, 0.964, 1.949) ( 0.01, 0.00, 0.01) 252: strbnd ( 0.388, -1.593, 0.291) ( 0.388, -1.593, 0.291) ( 0.00, 0.00, 0.00) 252: torsion ( 0.654, -0.156, -1.664) ( 0.654, -0.156, -1.664) ( 0.00, 0.00, 0.01) 252: oop ( -0.122, 0.029, 0.309) ( -0.108, 0.026, 0.275) ( 0.16, 0.01, 1.04) 252: vdw ( 4.608, 1.041, 2.666) ( 4.609, 1.041, 2.666) ( 0.00, 0.00, 0.00) 252: electro ( 0.672, 1.344, -0.779) ( 0.672, 1.344, -0.779) ( 0.00, 0.00, 0.00) 252: 54 ( -7.250, -11.027, -1.781) ( -7.249, -11.024, -1.781) ( 0.01, 0.03, 0.03) 252: bond ( -4.260, -12.234, -0.605) ( -4.260, -12.231, -0.605) ( 0.01, 0.02, 0.00) 252: angle ( -3.795, 1.395, -1.482) ( -3.795, 1.395, -1.482) ( 0.01, 0.01, 0.03) 252: strbnd ( -1.388, -0.259, -0.495) ( -1.388, -0.259, -0.495) ( 0.00, 0.00, 0.00) 252: torsion ( 0.002, -0.000, -0.006) ( 0.002, -0.000, -0.006) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.191, 0.071, 0.806) ( 2.191, 0.071, 0.806) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 55 (-10.238, 6.128, 6.355) (-10.237, 6.129, 6.357) ( 0.01, 0.02, 0.02) 252: bond ( -7.660, 6.780, 8.104) ( -7.659, 6.781, 8.105) ( 0.01, 0.01, 0.01) 252: angle ( -3.786, -2.269, -1.680) ( -3.786, -2.268, -1.680) ( 0.01, 0.01, 0.02) 252: strbnd ( -1.833, 0.486, 0.087) ( -1.833, 0.486, 0.087) ( 0.00, 0.00, 0.00) 252: torsion ( 0.000, 0.001, -0.001) ( 0.000, 0.001, -0.001) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 3.040, 1.129, -0.155) ( 3.040, 1.129, -0.155) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 56 ( -3.327, 4.630, -12.310) ( -3.326, 4.631, -12.307) ( 0.02, 0.02, 0.02) 252: bond ( -0.179, 5.185, -12.000) ( -0.178, 5.185, -11.998) ( 0.00, 0.01, 0.02) 252: angle ( -3.994, -2.155, -0.872) ( -3.993, -2.155, -0.872) ( 0.01, 0.02, 0.01) 252: strbnd ( -1.307, 0.375, -1.326) ( -1.307, 0.375, -1.326) ( 0.00, 0.00, 0.00) 252: torsion ( -0.002, 0.012, 0.005) ( -0.002, 0.012, 0.005) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 2.154, 1.213, 1.884) ( 2.154, 1.213, 1.884) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 57 ( -0.307, -9.122, -8.188) ( -0.306, -9.120, -8.187) ( 0.02, 0.02, 0.02) 252: bond ( 0.825, -11.920, -8.291) ( 0.825, -11.918, -8.290) ( 0.01, 0.02, 0.01) 252: angle ( 0.266, 0.885, -1.246) ( 0.266, 0.885, -1.246) ( 0.01, 0.02, 0.03) 252: strbnd ( 0.564, 0.787, 0.734) ( 0.564, 0.787, 0.734) ( 0.00, 0.00, 0.00) 252: torsion ( 0.170, -0.005, 0.024) ( 0.170, -0.005, 0.024) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.131, 1.130, 0.592) ( -2.131, 1.130, 0.592) ( 0.00, 0.00, 0.00) 252: electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 58 ( 9.212, 6.945, -1.363) ( 9.214, 6.946, -1.362) ( 0.03, 0.02, 0.05) 252: bond ( 12.173, 6.773, -1.368) ( 12.175, 6.774, -1.368) ( 0.02, 0.01, 0.01) 252: angle ( 0.058, -0.350, -1.218) ( 0.058, -0.349, -1.217) ( 0.00, 0.01, 0.04) 252: strbnd ( -0.521, -1.011, 0.065) ( -0.521, -1.011, 0.065) ( 0.00, 0.00, 0.00) 252: torsion ( 0.181, -0.338, -0.064) ( 0.181, -0.338, -0.064) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -2.678, 1.870, 1.221) ( -2.678, 1.870, 1.222) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 59 (-10.799, -6.712, -0.430) (-10.797, -6.711, -0.429) ( 0.02, 0.02, 0.03) 252: bond (-12.830, -7.728, 1.306) (-12.828, -7.727, 1.306) ( 0.02, 0.01, 0.01) 252: angle ( 0.385, -0.545, 0.558) ( 0.385, -0.545, 0.558) ( 0.01, 0.02, 0.03) 252: strbnd ( 0.887, 0.269, 0.033) ( 0.887, 0.269, 0.033) ( 0.00, 0.00, 0.00) 252: torsion ( 0.569, -0.988, -0.256) ( 0.569, -0.988, -0.256) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.191, 2.279, -2.071) ( 0.191, 2.279, -2.071) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 60 ( 9.776, -8.215, 3.975) ( 9.777, -8.214, 3.976) ( 0.02, 0.02, 0.02) 252: bond ( 11.330, -9.354, 4.398) ( 11.332, -9.353, 4.398) ( 0.01, 0.01, 0.01) 252: angle ( -0.016, 0.054, 0.154) ( -0.015, 0.054, 0.155) ( 0.00, 0.00, 0.01) 252: strbnd ( -0.988, 0.483, -0.237) ( -0.988, 0.483, -0.237) ( 0.00, 0.00, 0.00) 252: torsion ( -0.315, -0.335, 0.099) ( -0.315, -0.335, 0.099) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.236, 0.937, -0.438) ( -0.236, 0.937, -0.438) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 61 ( -1.361, -1.860, 12.613) ( -1.360, -1.859, 12.616) ( 0.04, 0.04, 0.02) 252: bond ( -1.242, -3.974, 13.096) ( -1.242, -3.974, 13.099) ( 0.01, 0.01, 0.02) 252: angle ( -0.493, 2.159, 0.609) ( -0.492, 2.160, 0.609) ( 0.02, 0.02, 0.00) 252: strbnd ( 0.058, 0.509, -0.577) ( 0.058, 0.509, -0.577) ( 0.00, 0.00, 0.00) 252: torsion ( 0.242, -0.008, 0.020) ( 0.242, -0.008, 0.020) ( 0.00, 0.00, 0.00) 252: oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.075, -0.546, -0.535) ( 0.075, -0.546, -0.535) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 62 ( 9.949, 7.205, -0.655) ( 9.951, 7.206, -0.654) ( 0.02, 0.02, 0.04) 252: bond ( 11.359, 7.334, -1.037) ( 11.361, 7.335, -1.037) ( 0.02, 0.01, 0.01) 252: angle ( -0.599, 1.148, 1.564) ( -0.599, 1.148, 1.564) ( 0.01, 0.03, 0.03) 252: strbnd ( -0.498, -0.036, 0.239) ( -0.498, -0.036, 0.239) ( 0.00, 0.00, 0.00) 252: torsion ( 0.089, -0.116, 0.153) ( 0.089, -0.116, 0.153) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( -0.402, -1.125, -1.573) ( -0.402, -1.125, -1.573) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: 63 ( -9.227, 7.918, -3.842) ( -9.225, 7.919, -3.841) ( 0.02, 0.02, 0.02) 252: bond (-10.234, 7.920, -2.677) (-10.232, 7.921, -2.677) ( 0.02, 0.01, 0.01) 252: angle ( 0.410, 1.448, 2.720) ( 0.410, 1.449, 2.720) ( 0.01, 0.02, 0.02) 252: strbnd ( 0.495, -0.112, 0.334) ( 0.495, -0.112, 0.334) ( 0.00, 0.00, 0.00) 252: torsion ( -0.316, -0.287, 0.358) ( -0.316, -0.287, 0.358) ( 0.00, 0.00, 0.00) 252: oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: vdw ( 0.419, -1.051, -4.577) ( 0.419, -1.051, -4.577) ( 0.00, 0.00, 0.00) 252: electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00) 252: ok 36 # gradients 332/333 Test #252: origtest_ffmmff94_5 ................................................................................. Passed 1122.78 sec 293: .........................============================== 293: *** Open Babel Warning in WriteMolecule 293: No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D. 293: .....============================== 293: *** Open Babel Error in SMARTSError 293: SMARTS Error: 293: [#NOEL][#NOEL] 293: ^ 293: 293: .... 293: ---------------------------------------------------------------------- 293: Ran 34 tests in 493.070s 293: 293: OK 333/333 Test #293: pybindtest__pybel ................................................................................... Passed 493.60 sec 98% tests passed, 5 tests failed out of 333 Total Test time (real) = 1895.06 sec The following tests FAILED: 28 - test_builder_1 (Timeout) 29 - test_builder_2 (Timeout) 248 - origtest_ffmmff94_1 (Timeout) 292 - pybindtest_bindings (Failed) 295 - pybindtest_obconv_writers (Failed) Errors while running CTest make[2]: *** [Makefile:74: test] Error 8 make[2]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' dh_auto_test: error: cd builddir && make -j6 test ARGS\+=--verbose ARGS\+=-j6 returned exit code 2 make[1]: [debian/rules:54: override_dh_auto_test] Error 25 (ignored) make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' create-stamp debian/debhelper-build-stamp dh_testroot -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_prep -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules override_dh_auto_install make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_auto_install cd builddir && make -j6 install DESTDIR=/build/reproducible-path/openbabel-3.2.0\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no INSTALL="install --strip-program=true" make[2]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' /usr/bin/cmake -P /build/reproducible-path/openbabel-3.2.0+dfsg/builddir/CMakeFiles/VerifyGlobs.cmake /usr/bin/cmake -S/build/reproducible-path/openbabel-3.2.0+dfsg -B/build/reproducible-path/openbabel-3.2.0+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[3]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' make[3]: Nothing to be done for 'preinstall'. make[3]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/babelconfig.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/pkgconfig/openbabel-3.pc -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3_EXPORTS.cmake -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3_EXPORTS-none.cmake -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3Config.cmake -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3ConfigVersion.cmake -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/chemdrawcdx.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/alias.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/atom.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/base.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/bitvec.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/bond.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/bondtyper.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/builder.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/canon.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/chains.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/chargemodel.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/conformersearch.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/data.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/data_utilities.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/descriptor.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/distgeom.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/dlhandler.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/elements.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/fingerprint.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/forcefield.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/format.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/generic.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/graphsym.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/grid.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/griddata.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/groupcontrib.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/inchiformat.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/internalcoord.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/isomorphism.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/json.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/kekulize.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/kinetics.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/lineend.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/locale.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/macrocycle.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/matrix.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/mcdlutil.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/mol.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/molchrg.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/obconversion.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/oberror.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/obfunctions.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/obiter.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/obmolecformat.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/obutil.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/op.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/optransform.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/parsmart.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/patty.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/phmodel.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/plugin.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/pointgroup.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/query.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/reaction.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/reactionfacade.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/residue.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/ring.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/rotamer.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/rotor.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/spectrophore.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/tautomer.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/text.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/tokenst.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/typer.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/xml.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/math/align.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/math/erf.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/math/matrix3x3.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/math/spacegroup.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/math/transform3d.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/math/vector3.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/bindings.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/cistrans.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/squareplanar.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/stereo.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/tetrahedral.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/tetranonplanar.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/stereo/tetraplanar.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/asciipainter.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/cairopainter.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/commandpainter.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/depict.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/painter.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/svgpainter.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/LBFGS.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/LBFGS/LineSearchBacktracking.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/LBFGS/LineSearchBracketing.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/LBFGS/LineSearchNocedalWright.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/include/openbabel3/LBFGS/Param.h -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/atomization-energies.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/atomtyp.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/babel_povray3.inc -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/bondtyp.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem2015ba.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem2015bm.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem2015bn.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem2015ha.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem2015hm.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eem2015hn.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/eqeqIonizations.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/gaff.dat -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/gaff.prm -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/ghemical.prm -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/logp.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/MACCS.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmff94.ff -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmff94s.ff -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffang.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffbndk.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffbond.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffchg.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffdef.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffdfsb.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffoop.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffpbci.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffprop.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffstbn.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmfftor.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffvdw.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffs_oop.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mmffs_tor.par -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mpC.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/mr.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/patterns.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/phmodel.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/plugindefines.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/psa.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/qeq.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/resdata.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/rigid-fragments.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/rigid-fragments-index.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/ring-fragments.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/ringtyp.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/SMARTS_InteLigand.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/space-groups.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/superatom.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/svgformat.script -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/templates.sdf -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/torlib.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/torsion.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/types.txt -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/UFF.prm -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obabel.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obchiral.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obconformer.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obdistgen.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obenergy.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obfit.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obgen.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obgrep.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obgui.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obminimize.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obprobe.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obprop.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obrms.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obrotamer.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obrotate.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obspectrophore.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obsym.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obtautomer.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/obthermo.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/man/man1/roundtrip.1 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/share/openbabel/3.2.0/splash.png -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/libopenbabel.so.8.0.0 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/libopenbabel.so.8 -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/libopenbabel.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_descriptors.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_fingerprints.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_forcefields.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_ops.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_charges.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/smilesformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mdlformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mol2format.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pdbformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/inchiformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/asciiformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/copyformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/MNAformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/molreport.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/nulformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/painterformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/povrayformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/reportformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/svgformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/textformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/titleformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/confabreport.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pngformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/acesformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/abinitformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/adfformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/aoforceformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/castepformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/crystal09format.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/daltonformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/dmolformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fchkformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fhiaimsformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gamessformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gaussformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gausscubeformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gausszmatformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gulpformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/hinformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/jaguarformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/molproformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mopacformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/nwchemformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pwscfformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/qchemformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/siestaformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/turbomoleformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/vaspformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/xsfformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/zindoformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/maeformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gamessukformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/orcaformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/APIInterface.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/CSRformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/PQSformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/MCDLformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/alchemyformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/acrformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/amberformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/balstformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/bgfformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/boxformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cacaoformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cacheformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/carformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cccformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chem3dformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chemdrawcdx.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chemdrawct.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chemkinformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chemtoolformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cifformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cofformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/crkformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cssrformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/dlpolyformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/exyzformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fastsearchformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fastaformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/featformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fhformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fingerprintformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/fpsformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/freefracformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/ghemicalformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/gromos96format.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/groformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/lmpdatformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/lpmdformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mdffformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mmcifformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mmodformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/moldenformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mpdformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/mpqcformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/msiformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/msmsformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/opendxformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/outformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pcmodelformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pdbqtformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pointcloudformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/posformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pqrformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/rinchiformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/rsmiformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/rxnformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/shelxformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/smileyformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/stlformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/thermoformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/tinkerformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/unichemformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/viewmolformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/wlnformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/xedformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/xyzformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/yasaraformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/png2format.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cdxmlformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cmlformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/cmlreactformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pubchem.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/xmlformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chemdoodlejsonformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/chemicaljsonformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/ketformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/openbabel/3.2.0/pubchemjsonformat.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obabel -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obconformer -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obenergy -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obfit -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obfitall -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obgen -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obminimize -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obmm -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obprobe -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obprop -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obrotamer -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obrotate -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obsym -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obtautomer -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obthermo -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obdistgen -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obgrep -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obspectrophore -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obrms -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/obgui -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/bin/roundtrip -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/python3/dist-packages/openbabel/_openbabel.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/python3/dist-packages/openbabel/__init__.py -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/python3/dist-packages/openbabel/openbabel.py -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/python3/dist-packages/openbabel/pybel.py -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/python3/dist-packages/openbabel/executable.py -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/auto/Chemistry/OpenBabel/OpenBabel.so -- Installing: /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp/usr/lib/i386-linux-gnu/Chemistry/OpenBabel.pm make[2]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg/builddir' mkdir --parents /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp//usr/lib/i386-linux-gnu/perl5/5.40 mv debian/tmp/usr/lib/i386-linux-gnu/auto debian/tmp/usr/lib/i386-linux-gnu/Chemistry \ /build/reproducible-path/openbabel-3.2.0+dfsg/debian/tmp//usr/lib/i386-linux-gnu/perl5/5.40 make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_install -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules override_dh_installdocs make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_installdocs -X.js make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_installchangelogs -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules override_dh_installexamples make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_installexamples -X.pyc make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_installman -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_python3 -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir I: dh_python3 fs:507: renaming _openbabel.so to _openbabel.cpython-314-i386-linux-gnu.so dh_installsystemduser -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_perl -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_link -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_strip_nondeterminism -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules override_dh_compress make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_compress -Xusr/share/doc/libopenbabel-dev/html \ -Xusr/share/doc/python3-openbabel/examples make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_fixperms -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_missing -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_dwz -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir debian/rules override_dh_strip make[1]: Entering directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_strip --dbgsym-migration='openbabel-dbg (<< 3.0.0+dfsg)' make[1]: Leaving directory '/build/reproducible-path/openbabel-3.2.0+dfsg' dh_makeshlibs -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_shlibdeps -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux.so.2 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux.so.2.usr-is-merged dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib/ld-linux.so.2 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib/ld-linux.so.2.usr-is-merged dh_installdeb -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_gencontrol -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dpkg-gencontrol: warning: Provides field of package python3-openbabel: substitution variable ${python3:Provides} used, but is not defined dpkg-gencontrol: warning: Provides field of package python3-openbabel: substitution variable ${python3:Provides} used, but is not defined dh_md5sums -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dh_builddeb -a -O--builddirectory=/build/reproducible-path/openbabel-3.2.0\+dfsg/builddir dpkg-deb: building package 'openbabel' in '../openbabel_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'libopenbabel-dev' in '../libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'openbabel-gui' in '../openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'libopenbabel8-dbgsym' in '../libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'python3-openbabel-dbgsym' in '../python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'libchemistry-openbabel-perl-dbgsym' in '../libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'openbabel-dbgsym' in '../openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'openbabel-gui-dbgsym' in '../openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'libopenbabel8' in '../libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'libchemistry-openbabel-perl' in '../libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-deb: building package 'python3-openbabel' in '../python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb'. dpkg-genbuildinfo --build=any -O../openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo dpkg-genchanges --build=any -O../openbabel_3.2.0+dfsg-1~exp+b1_i386.changes dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) -------------------------------------------------------------------------------- Build finished at 2026-06-29T14:04:45Z Finished -------- I: Built successfully +------------------------------------------------------------------------------+ | Changes Mon, 29 Jun 2026 14:04:47 +0000 | +------------------------------------------------------------------------------+ openbabel_3.2.0+dfsg-1~exp+b1_i386.changes: ------------------------------------------- Format: 1.8 Date: Sun, 28 Jun 2026 11:30:38 +0000 Source: openbabel (3.2.0+dfsg-1~exp) Binary: libchemistry-openbabel-perl libchemistry-openbabel-perl-dbgsym libopenbabel-dev libopenbabel8 libopenbabel8-dbgsym openbabel openbabel-dbgsym openbabel-gui openbabel-gui-dbgsym python3-openbabel python3-openbabel-dbgsym Binary-Only: yes Architecture: i386 Version: 3.2.0+dfsg-1~exp+b1 Distribution: unstable Urgency: low Maintainer: Debichem Team Changed-By: all / amd64 / i386 Build Daemon (x86-conova-02) Description: libchemistry-openbabel-perl - Chemical toolbox library (perl bindings) libopenbabel-dev - Chemical toolbox library (development files) libopenbabel8 - Chemical toolbox library openbabel - Chemical toolbox utilities (cli) openbabel-gui - Chemical toolbox utilities (graphical user interface) python3-openbabel - Chemical toolbox library (Python bindings) Changes: openbabel (3.2.0+dfsg-1~exp+b1) experimental; urgency=low, binary-only=yes . * Binary-only non-maintainer upload for i386; no source changes. * Rebuild with python3.14 as default. Checksums-Sha1: 6de1542cc3faaf9e3226205ddd2f45d096028521 4870896 libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb c60cfc06872900c5f247d6c9bb30721568f8f693 668072 libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb 8f846afdf876a8ba86f1b53eb370f06240825c9f 180796 libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb ec9febc93495a93bb9b63490b4678b04e872a4d0 45326312 libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 93a366946c2650f72b22949b77d17b97a9ede1a5 3629768 libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb 648a393aefb700c9def311cad598347b1e70e5c4 962792 openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 7143904d1a9576e567d5b0f88100c04ec9a1c974 881672 openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 3d416318bd0a2f5298ea8bf87722af1c0efced5a 86484 openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb ad4b65839edfe6796e8dd3e94c6a3aa365026dd9 23491 openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo f008ed5bc5820b91a0b1ea6885abae4c1b5d7119 130444 openbabel_3.2.0+dfsg-1~exp+b1_i386.deb d2dedb65ad0b6022c5ee5795511993a2a9776683 5337632 python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb f529b35af823ef0c01163e0c9bfa0ad84a3d249a 647152 python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb Checksums-Sha256: 30aafdb154fc242c9fd9f48a249503abbd4b8d05dca648eaed6889c1a9f18634 4870896 libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 7870a1c657d29eea8df485c98faa2e47183d270ed6a43bc9646f0744342c019f 668072 libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb d61327822b0f96ce16703352bbe0c4a50a8d053a56599b9631984a87774a1c4d 180796 libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb aa8bea74bb79f2e4c6ed8caeff6d0a3127daed56b84fa78d852f79b8f86bdc6d 45326312 libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 327d5ac31e5f7660e8f2db3e1d6bca26346c56759f242c49b7ec9db7549101f0 3629768 libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb 431d2f0dcba79362bd016b8fc2dbd0496bbc8246ab33f6670702e159b51b6825 962792 openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 16992fe379430cad28c72fcec01902c5e5ed9492edbeba8fac3ed9e55c275a03 881672 openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb a0b8fbd9d1db6ffaf29f07ddb395ad31b673457ad071deb92846c84cb2c506d8 86484 openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb e7baa1944a4281182e19165373ecd30198343c4a5f31a6d011d4fbd13d962520 23491 openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo b6957a94b5960acd66ca9b33a15e969405bbf9c90870f39611daf20b4794f162 130444 openbabel_3.2.0+dfsg-1~exp+b1_i386.deb 594ab48419019e13409b026b5936285a09ab4eae44d3898d2ffa82ad81c26318 5337632 python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 144557b7f61f680dba73641957543f27d9f66f94973ddcd975c19f408c34835d 647152 python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb Files: af63382081a20eb0e217d04d975009fa 4870896 debug optional libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb bbfc291cf1462de386f7509783ff286f 668072 perl optional libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb 28c57e3dd5cbf0ec81a21a55a53a0c14 180796 libdevel optional libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb d0ee5945841546813518693c94edc855 45326312 debug optional libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 1a0549a995cf68e86dfaf843f5d83492 3629768 libs optional libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb e762339c733d0f7defcbd3de1d70ec7d 962792 debug optional openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb d8d9ef231fbe50ae85aef08fa507c027 881672 debug optional openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 62487a092e88730299171b8c5635b0cb 86484 science optional openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb 8644227b6624f62e265de45f48eeab6e 23491 science optional openbabel_3.2.0+dfsg-1~exp+b1_i386.buildinfo 7017fb99bb2c1143fa22dddaa778373d 130444 science optional openbabel_3.2.0+dfsg-1~exp+b1_i386.deb c9d09f8a51486c6e37101c56a0a67715 5337632 debug optional python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 228c41bb55c183de59bdb14a3bb6648f 647152 python optional python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb +------------------------------------------------------------------------------+ | Buildinfo Mon, 29 Jun 2026 14:04:47 +0000 | +------------------------------------------------------------------------------+ Format: 1.0 Source: openbabel (3.2.0+dfsg-1~exp) Binary: libchemistry-openbabel-perl libchemistry-openbabel-perl-dbgsym libopenbabel-dev libopenbabel8 libopenbabel8-dbgsym openbabel openbabel-dbgsym openbabel-gui openbabel-gui-dbgsym python3-openbabel python3-openbabel-dbgsym Architecture: i386 Version: 3.2.0+dfsg-1~exp+b1 Binary-Only-Changes: openbabel (3.2.0+dfsg-1~exp+b1) experimental; urgency=low, binary-only=yes . * Binary-only non-maintainer upload for i386; no source changes. * Rebuild with python3.14 as default. . -- all / amd64 / i386 Build Daemon (x86-conova-02) Sun, 28 Jun 2026 11:30:38 +0000 Checksums-Md5: af63382081a20eb0e217d04d975009fa 4870896 libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb bbfc291cf1462de386f7509783ff286f 668072 libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb 28c57e3dd5cbf0ec81a21a55a53a0c14 180796 libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb d0ee5945841546813518693c94edc855 45326312 libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 1a0549a995cf68e86dfaf843f5d83492 3629768 libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb e762339c733d0f7defcbd3de1d70ec7d 962792 openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb d8d9ef231fbe50ae85aef08fa507c027 881672 openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 62487a092e88730299171b8c5635b0cb 86484 openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb 7017fb99bb2c1143fa22dddaa778373d 130444 openbabel_3.2.0+dfsg-1~exp+b1_i386.deb c9d09f8a51486c6e37101c56a0a67715 5337632 python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 228c41bb55c183de59bdb14a3bb6648f 647152 python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb Checksums-Sha1: 6de1542cc3faaf9e3226205ddd2f45d096028521 4870896 libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb c60cfc06872900c5f247d6c9bb30721568f8f693 668072 libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb 8f846afdf876a8ba86f1b53eb370f06240825c9f 180796 libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb ec9febc93495a93bb9b63490b4678b04e872a4d0 45326312 libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 93a366946c2650f72b22949b77d17b97a9ede1a5 3629768 libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb 648a393aefb700c9def311cad598347b1e70e5c4 962792 openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 7143904d1a9576e567d5b0f88100c04ec9a1c974 881672 openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 3d416318bd0a2f5298ea8bf87722af1c0efced5a 86484 openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb f008ed5bc5820b91a0b1ea6885abae4c1b5d7119 130444 openbabel_3.2.0+dfsg-1~exp+b1_i386.deb d2dedb65ad0b6022c5ee5795511993a2a9776683 5337632 python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb f529b35af823ef0c01163e0c9bfa0ad84a3d249a 647152 python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb Checksums-Sha256: 30aafdb154fc242c9fd9f48a249503abbd4b8d05dca648eaed6889c1a9f18634 4870896 libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 7870a1c657d29eea8df485c98faa2e47183d270ed6a43bc9646f0744342c019f 668072 libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb d61327822b0f96ce16703352bbe0c4a50a8d053a56599b9631984a87774a1c4d 180796 libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb aa8bea74bb79f2e4c6ed8caeff6d0a3127daed56b84fa78d852f79b8f86bdc6d 45326312 libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 327d5ac31e5f7660e8f2db3e1d6bca26346c56759f242c49b7ec9db7549101f0 3629768 libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb 431d2f0dcba79362bd016b8fc2dbd0496bbc8246ab33f6670702e159b51b6825 962792 openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 16992fe379430cad28c72fcec01902c5e5ed9492edbeba8fac3ed9e55c275a03 881672 openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb a0b8fbd9d1db6ffaf29f07ddb395ad31b673457ad071deb92846c84cb2c506d8 86484 openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb b6957a94b5960acd66ca9b33a15e969405bbf9c90870f39611daf20b4794f162 130444 openbabel_3.2.0+dfsg-1~exp+b1_i386.deb 594ab48419019e13409b026b5936285a09ab4eae44d3898d2ffa82ad81c26318 5337632 python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb 144557b7f61f680dba73641957543f27d9f66f94973ddcd975c19f408c34835d 647152 python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb Build-Origin: Debian Build-Architecture: i386 Build-Date: Mon, 29 Jun 2026 14:04:44 +0000 Build-Path: /build/reproducible-path/openbabel-3.2.0+dfsg Installed-Build-Depends: adwaita-icon-theme (= 50.0-2), at-spi2-common (= 2.61.0-1), autoconf (= 2.73-2), automake (= 1:1.18.1-4), autopoint (= 1.0-1), autotools-dev (= 20240727.1+nmu1), base-files (= 14.2), base-passwd (= 3.6.8), bash (= 5.3-3), binutils (= 2.46.50.20260617-1), binutils-common (= 2.46.50.20260617-1), binutils-i686-linux-gnu (= 2.46.50.20260617-1), bsdextrautils (= 2.42.2-1), bubblewrap (= 0.11.2-2), build-essential (= 12.12), bzip2 (= 1.0.8-6+b2), cmake (= 4.3.4-1), coreutils (= 9.10-1), cpp (= 4:15.2.0-5+b1), cpp-15 (= 15.3.0-1), cpp-15-i686-linux-gnu (= 15.3.0-1), cpp-i686-linux-gnu (= 4:15.2.0-5+b1), dash (= 0.5.12-12), dbus-bin (= 1.16.2-5+b1), dbus-daemon (= 1.16.2-5+b1), dbus-session-bus-common (= 1.16.2-5), dbus-x11 (= 1.16.2-5+b1), dconf-gsettings-backend (= 0.49.0-4+b1), dconf-service (= 0.49.0-4+b1), debconf (= 1.5.92), debhelper (= 14.2), debianutils (= 5.23.2), dh-autoreconf (= 22), dh-python (= 7.20260623), dh-strip-nondeterminism (= 1.15.1-1), diffutils (= 1:3.12-1), doxygen (= 1.15.0+ds1-1.1), dpkg (= 1.23.7), dpkg-dev (= 1.23.7), dwz (= 0.16-4), file (= 1:5.47-4), findutils (= 4.10.0-4), fontconfig (= 2.17.1-5), fontconfig-config (= 2.17.1-5), fonts-lmodern (= 2.005-2), fonts-urw-base35 (= 20200910-9), g++ (= 4:15.2.0-5+b1), g++-15 (= 15.3.0-1), g++-15-i686-linux-gnu (= 15.3.0-1), g++-i686-linux-gnu (= 4:15.2.0-5+b1), gcc (= 4:15.2.0-5+b1), gcc-15 (= 15.3.0-1), gcc-15-base (= 15.3.0-1), gcc-15-i686-linux-gnu (= 15.3.0-1), gcc-16-base (= 16.1.0-2), gcc-i686-linux-gnu (= 4:15.2.0-5+b1), gettext (= 1.0-1), gettext-base (= 1.0-1), gfortran-15 (= 15.3.0-1), gfortran-15-i686-linux-gnu (= 15.3.0-1), ghostscript (= 10.07.1~dfsg-1), girepository-tools (= 2.88.2-1), glycin-loaders (= 2.1.5+ds-2), glycin-thumbnailers (= 2.1.5+ds-2), graphviz (= 14.1.2-1+b2), grep (= 3.12-1), groff-base (= 1.24.1-1), gtk-update-icon-cache (= 4.22.4+ds-1), gzip (= 1.13-1), hicolor-icon-theme (= 0.18-2), hostname (= 3.25), hwloc-nox (= 2.14.0-2), init-system-helpers (= 1.69), intltool-debian (= 0.35.0+20060710.6), libabsl20260107 (= 20260107.0-5), libacl1 (= 2.3.2-3), libaom3 (= 3.13.1-2+b1), libapache-pom-java (= 33-2), libapparmor1 (= 4.1.7-4), libarchive-zip-perl (= 1.68-1), libarchive13t64 (= 3.8.7-1), libasan8 (= 16.1.0-2), libasound2-data (= 1.2.16-1), libasound2t64 (= 1.2.16-1), libasyncns0 (= 0.8-8), libatk-bridge2.0-0t64 (= 2.61.0-1), libatk1.0-0t64 (= 2.61.0-1), libatomic1 (= 16.1.0-2), libatspi2.0-0t64 (= 2.61.0-1), libattr1 (= 1:2.5.2-4), libaudit-common (= 1:4.1.2-1), libaudit1 (= 1:4.1.2-1+b1), libavahi-client3 (= 0.8-18), libavahi-common-data (= 0.8-18), libavahi-common3 (= 0.8-18), libavif16 (= 1.4.1-1+b1), libbinutils (= 2.46.50.20260617-1), libblkid-dev (= 2.42.2-1), libblkid1 (= 2.42.2-1), libboost-all-dev (= 1.90.0.2), libboost-atomic-dev (= 1.90.0.2), libboost-atomic1.90-dev (= 1.90.0-6), libboost-atomic1.90.0 (= 1.90.0-6), libboost-charconv1.90-dev (= 1.90.0-6), libboost-charconv1.90.0 (= 1.90.0-6), libboost-chrono-dev (= 1.90.0.2), libboost-chrono1.90-dev (= 1.90.0-6), libboost-chrono1.90.0 (= 1.90.0-6), libboost-container-dev (= 1.90.0.2), libboost-container1.90-dev (= 1.90.0-6), libboost-container1.90.0 (= 1.90.0-6), libboost-context-dev (= 1.90.0.2), libboost-context1.90-dev (= 1.90.0-6), libboost-context1.90.0 (= 1.90.0-6), libboost-coroutine-dev (= 1.90.0.2), libboost-coroutine1.90-dev (= 1.90.0-6), libboost-coroutine1.90.0 (= 1.90.0-6), libboost-date-time-dev (= 1.90.0.2), libboost-date-time1.90-dev (= 1.90.0-6), libboost-date-time1.90.0 (= 1.90.0-6), libboost-dev (= 1.90.0.2), libboost-exception-dev (= 1.90.0.2), libboost-exception1.90-dev (= 1.90.0-6), libboost-fiber-dev (= 1.90.0.2), libboost-fiber1.90-dev (= 1.90.0-6), libboost-fiber1.90.0 (= 1.90.0-6), libboost-filesystem-dev (= 1.90.0.2), libboost-filesystem1.90-dev (= 1.90.0-6), libboost-filesystem1.90.0 (= 1.90.0-6), libboost-graph-dev (= 1.90.0.2), libboost-graph-parallel-dev (= 1.90.0.2), libboost-graph-parallel1.90-dev (= 1.90.0-6), libboost-graph-parallel1.90.0 (= 1.90.0-6), libboost-graph1.90-dev (= 1.90.0-6), libboost-graph1.90.0 (= 1.90.0-6), libboost-iostreams-dev (= 1.90.0.2), libboost-iostreams1.90-dev (= 1.90.0-6), libboost-iostreams1.90.0 (= 1.90.0-6), libboost-json-dev (= 1.90.0.2), libboost-json1.90-dev (= 1.90.0-6), libboost-json1.90.0 (= 1.90.0-6), libboost-locale-dev (= 1.90.0.2), libboost-locale1.90-dev (= 1.90.0-6), libboost-locale1.90.0 (= 1.90.0-6), libboost-log-dev (= 1.90.0.2), libboost-log1.90-dev (= 1.90.0-6), libboost-log1.90.0 (= 1.90.0-6), libboost-math-dev (= 1.90.0.2), libboost-math1.90-dev (= 1.90.0-6), libboost-math1.90.0 (= 1.90.0-6), libboost-mpi-dev (= 1.90.0.2), libboost-mpi-python-dev (= 1.90.0.2), libboost-mpi-python1.90-dev (= 1.90.0-6), libboost-mpi-python1.90.0 (= 1.90.0-6), libboost-mpi1.90-dev (= 1.90.0-6), libboost-mpi1.90.0 (= 1.90.0-6), libboost-nowide-dev (= 1.90.0.2), libboost-nowide1.90-dev (= 1.90.0-6), libboost-nowide1.90.0 (= 1.90.0-6), libboost-numpy-dev (= 1.90.0.2), libboost-numpy1.90-dev (= 1.90.0-6), libboost-numpy1.90.0 (= 1.90.0-6), libboost-process-dev (= 1.90.0.2), libboost-process1.90-dev (= 1.90.0-6), libboost-process1.90.0 (= 1.90.0-6), libboost-program-options-dev (= 1.90.0.2), libboost-program-options1.90-dev (= 1.90.0-6), libboost-program-options1.90.0 (= 1.90.0-6), libboost-python-dev (= 1.90.0.2), libboost-python1.90-dev (= 1.90.0-6), libboost-python1.90.0 (= 1.90.0-6), libboost-random-dev (= 1.90.0.2), libboost-random1.90-dev (= 1.90.0-6), libboost-random1.90.0 (= 1.90.0-6), libboost-regex-dev (= 1.90.0.2), libboost-regex1.90-dev (= 1.90.0-6), libboost-regex1.90.0 (= 1.90.0-6), libboost-serialization-dev (= 1.90.0.2), libboost-serialization1.90-dev (= 1.90.0-6), libboost-serialization1.90.0 (= 1.90.0-6), libboost-stacktrace-dev (= 1.90.0.2), libboost-stacktrace1.90-dev (= 1.90.0-6), libboost-stacktrace1.90.0 (= 1.90.0-6), libboost-test-dev (= 1.90.0.2), libboost-test1.90-dev (= 1.90.0-6), libboost-test1.90.0 (= 1.90.0-6), libboost-thread-dev (= 1.90.0.2), libboost-thread1.90-dev (= 1.90.0-6), libboost-thread1.90.0 (= 1.90.0-6), libboost-timer-dev (= 1.90.0.2), libboost-timer1.90-dev (= 1.90.0-6), libboost-timer1.90.0 (= 1.90.0-6), libboost-tools-dev (= 1.90.0.2), libboost-type-erasure-dev (= 1.90.0.2), libboost-type-erasure1.90-dev (= 1.90.0-6), libboost-type-erasure1.90.0 (= 1.90.0-6), libboost-url-dev (= 1.90.0.2), libboost-url1.90-dev (= 1.90.0-6), libboost-url1.90.0 (= 1.90.0-6), libboost-wave-dev (= 1.90.0.2), libboost-wave1.90-dev (= 1.90.0-6), libboost-wave1.90.0 (= 1.90.0-6), libboost1.90-dev (= 1.90.0-6), libboost1.90-tools-dev (= 1.90.0-6), libbrotli-dev (= 1.2.0-3), libbrotli1 (= 1.2.0-3), libbsd0 (= 0.12.2-3), libbz2-1.0 (= 1.0.8-6+b2), libbz2-dev (= 1.0.8-6+b2), libc-bin (= 2.42-17), libc-dev-bin (= 2.42-17), libc-gconv-modules-extra (= 2.42-17), libc6 (= 2.42-17), libc6-dev (= 2.42-17), libcairo-gobject2 (= 1.18.4-3+b1), libcairo-script-interpreter2 (= 1.18.4-3+b1), libcairo2 (= 1.18.4-3+b1), libcairo2-dev (= 1.18.4-3+b1), libcap-ng0 (= 0.9.3-1), libcap2 (= 1:2.78-1), libcc1-0 (= 16.1.0-2), libcdt6 (= 14.1.2-1+b2), libcgraph8 (= 14.1.2-1+b2), libclang-cpp21 (= 1:21.1.8-7+b3), libclang1-21 (= 1:21.1.8-7+b3), libcloudproviders0 (= 0.4.0-2+b1), libcolord2 (= 1.4.8-3), libcom-err2 (= 1.47.4-1), libcommons-logging-java (= 1.3.0-2), libcommons-parent-java (= 56-1), libcoordgen-dev (= 3.0.2-4), libcoordgen3 (= 3.0.2-4), libcrypt-dev (= 1:4.5.1-1+b1), libcrypt1 (= 1:4.5.1-1+b1), libctf-nobfd0 (= 2.46.50.20260617-1), libctf0 (= 2.46.50.20260617-1), libcups2t64 (= 2.4.18-1), libcurl4t64 (= 8.21.0-1), libdatrie1 (= 0.2.14-1+b1), libdav1d7 (= 1.5.3-1+b2), libdb5.3t64 (= 5.3.28+dfsg2-11+b1), libdbus-1-3 (= 1.16.2-5+b1), libdconf1 (= 0.49.0-4+b1), libde265-0 (= 1.0.18-1), libdebconfclient0 (= 0.283), libdebhelper-perl (= 14.2), libdecor-0-0 (= 0.2.5-1+b1), libdeflate0 (= 1.25-1), libdpkg-perl (= 1.23.7), libdrm-amdgpu1 (= 2.4.134-2), libdrm-common (= 2.4.134-2), libdrm-intel1 (= 2.4.134-2), libdrm2 (= 2.4.134-2), libedit2 (= 3.1-20260512-1), libeigen3-dev (= 5.0.1-1~exp1), libelf1t64 (= 0.195-1), libepoxy0 (= 1.5.10-2+b2), libexpat1 (= 2.8.2-1), libexpat1-dev (= 2.8.2-1), libffi-dev (= 3.5.2-4), libffi8 (= 3.5.2-4), libfile-stripnondeterminism-perl (= 1.15.1-1), libflac14 (= 1.5.0+ds-5+b1), libfmt10 (= 10.1.1+ds1-4+b2), libfontbox-java (= 1:1.8.16-5), libfontconfig-dev (= 2.17.1-5), libfontconfig1 (= 2.17.1-5), libfontenc1 (= 1:1.1.8-1+b3), libfreetype-dev (= 2.14.3+dfsg-1), libfreetype6 (= 2.14.3+dfsg-1), libfribidi0 (= 1.0.16-5+b1), libgav1-2 (= 0.20.0-2+b1), libgbm1 (= 26.1.2-1), libgcc-15-dev (= 15.3.0-1), libgcc-s1 (= 16.1.0-2), libgd3 (= 2.3.3-13+b2), libgdbm-compat4t64 (= 1.26-1+b2), libgdbm6t64 (= 1.26-1+b2), libgdk-pixbuf-2.0-0 (= 2.44.6+dfsg-2), libgdk-pixbuf2.0-common (= 2.44.6+dfsg-2), libgfortran-15-dev (= 15.3.0-1), libgfortran5 (= 16.1.0-2), libgio-2.0-dev (= 2.88.2-1), libgio-2.0-dev-bin (= 2.88.2-1), libgirepository-2.0-0 (= 2.88.2-1), libgl-dev (= 1.7.0-3+b1), libgl1 (= 1.7.0-3+b1), libgl1-mesa-dri (= 26.1.2-1), libglib2.0-0t64 (= 2.88.2-1), libglib2.0-bin (= 2.88.2-1), libglib2.0-data (= 2.88.2-1), libglib2.0-dev (= 2.88.2-1), libglib2.0-dev-bin (= 2.88.2-1), libglu1-mesa (= 9.0.2-1.1+b4), libglu1-mesa-dev (= 9.0.2-1.1+b4), libglvnd0 (= 1.7.0-3+b1), libglx-dev (= 1.7.0-3+b1), libglx-mesa0 (= 26.1.2-1), libglx0 (= 1.7.0-3+b1), libglycin-2-0 (= 2.1.5+ds-2), libgmp10 (= 2:6.3.0+dfsg-5+b2), libgnutls30t64 (= 3.8.13-1), libgomp1 (= 16.1.0-2), libgprofng0 (= 2.46.50.20260617-1), libgraphite2-3 (= 1.3.15-2), libgs-common (= 10.07.1~dfsg-1), libgs10 (= 10.07.1~dfsg-1), libgs10-common (= 10.07.1~dfsg-1), libgssapi-krb5-2 (= 1.22.1-3), libgtk-3-0t64 (= 3.24.52-1), libgtk-3-common (= 3.24.52-1), libgvc7 (= 14.1.2-1+b2), libgvplugin-gd8 (= 14.1.2-1+b2), libgvplugin-pango8 (= 14.1.2-1+b2), libgvpr2 (= 14.1.2-1+b2), libharfbuzz-subset0 (= 12.3.2-2+b2), libharfbuzz0b (= 12.3.2-2+b2), libheif-plugin-dav1d (= 1.21.2-4), libheif-plugin-libde265 (= 1.21.2-4), libheif1 (= 1.21.2-4), libhogweed6t64 (= 3.10.2-1+b1), libhwloc-dev (= 2.14.0-2), libhwloc15 (= 2.14.0-2), libhwy1t64 (= 1.3.0-2+b1), libice-dev (= 2:1.1.1-1+b2), libice6 (= 2:1.1.1-1+b2), libicu78 (= 78.3-2), libidn12 (= 1.44-1), libidn2-0 (= 2.3.8-5), libijs-0.35 (= 0.35-16+b2), libimagequant0 (= 4.4.1-1+b2), libinchi-dev (= 1.07.3+dfsg-2), libinchi1.07 (= 1.07.3+dfsg-2), libisl23 (= 0.27-2), libitm1 (= 16.1.0-2), libjansson4 (= 2.15.0-1), libjbig0 (= 2.1-6.1+b3), libjbig2dec0 (= 0.20-1+b4), libjpeg62-turbo (= 1:3.1.3-4), libjs-sphinxdoc (= 9.1.0-4), libjsoncpp26 (= 1.9.7-4), libjxl0.11 (= 0.11.2-5), libk5crypto3 (= 1.22.1-3), libkeyutils1 (= 1.6.3-6+b2), libkpathsea6 (= 2026.20260303.78225+ds-4), libkrb5-3 (= 1.22.1-3), libkrb5support0 (= 1.22.1-3), liblcms2-2 (= 2.19.1-1), libldap2 (= 2.6.13+dfsg-1), liblerc4 (= 4.1.0+ds-1), libllvm21 (= 1:21.1.8-7+b3), libltdl-dev (= 2.5.4-11), libltdl7 (= 2.5.4-11), liblz4-1 (= 1.10.0-10), liblzma-dev (= 5.8.3-1), liblzma5 (= 5.8.3-1), liblzo2-2 (= 2.10-3+b2), libmaeparser-dev (= 1.3.3-4+b1), libmaeparser1 (= 1.3.3-4+b1), libmagic-mgc (= 1:5.47-4), libmagic1t64 (= 1:5.47-4), libmd0 (= 1.2.0-2), libmount-dev (= 2.42.2-1), libmount1 (= 2.42.2-1), libmp3lame0 (= 3.101~svn6531+dfsg-1), libmpc3 (= 1.3.1-3), libmpfi0 (= 1.5.4+ds-5), libmpfr6 (= 4.2.2-3), libmpg123-0t64 (= 1.33.6-1), libmpich-dev (= 5.0.1-5), libmpich12 (= 5.0.1-5), libncursesw6 (= 6.6+20251231-1+b1), libnettle8t64 (= 3.10.2-1+b1), libnghttp2-14 (= 1.69.0-1), libnghttp3-9 (= 1.15.0-1), libngtcp2-16 (= 1.22.1-1), libngtcp2-crypto-ossl0 (= 1.22.1-1), libnotify4 (= 0.8.8-1+b1), libnuma-dev (= 2.0.19-1+b2), libnuma1 (= 2.0.19-1+b2), libogg0 (= 1.3.6-2+b1), libopengl-dev (= 1.7.0-3+b1), libopengl0 (= 1.7.0-3+b1), libopenjp2-7 (= 2.5.4-1.1), libopus0 (= 1.6.1-1+b1), libp11-kit0 (= 0.26.2-3), libpam-modules (= 1.7.0-6), libpam-modules-bin (= 1.7.0-6), libpam-runtime (= 1.7.0-6), libpam0g (= 1.7.0-6), libpango-1.0-0 (= 1.57.1-2), libpangocairo-1.0-0 (= 1.57.1-2), libpangoft2-1.0-0 (= 1.57.1-2), libpaper-utils (= 2.2.5-0.4), libpaper2 (= 2.2.5-0.4), libpathplan4 (= 14.1.2-1+b2), libpciaccess0 (= 0.17-3+b4), libpcre2-16-0 (= 10.46-1+b2), libpcre2-32-0 (= 10.46-1+b2), libpcre2-8-0 (= 10.46-1+b2), libpcre2-dev (= 10.46-1+b2), libpcre2-posix3 (= 10.46-1+b2), libpdfbox-java (= 1:1.8.16-5), libperl-dev (= 5.40.1-8), libperl5.40 (= 5.40.1-8), libpipeline1 (= 1.5.8-3), libpixman-1-0 (= 0.46.4-1+b2), libpixman-1-dev (= 0.46.4-1+b2), libpkgconf7 (= 2.5.1-4), libpng-dev (= 1.6.58-1), libpng16-16t64 (= 1.6.58-1), libpotrace0 (= 1.16-2+b3), libproc2-0 (= 2:4.0.4-9+b2), libpsl5t64 (= 0.22.0-1), libptexenc1 (= 2026.20260303.78225+ds-4), libpulse0 (= 17.0+dfsg1-2.1+b1), libpython3-dev (= 3.14.6-1), libpython3-stdlib (= 3.14.6-1), libpython3.13-minimal (= 3.13.14-1), libpython3.13-stdlib (= 3.13.14-1), libpython3.14 (= 3.14.6-1), libpython3.14-dev (= 3.14.6-1), libpython3.14-minimal (= 3.14.6-1), libpython3.14-stdlib (= 3.14.6-1), libquadmath0 (= 16.1.0-2), librav1e0.8 (= 0.8.1-10), libreadline8t64 (= 8.3-4), librhash1 (= 1.4.6-1.1+b1), librsvg2-2 (= 2.62.1+dfsg-1), libsasl2-2 (= 2.1.28+dfsg1-11), libsasl2-modules-db (= 2.1.28+dfsg1-11), libsdl2-2.0-0 (= 2.32.70+ds-1), libsdl3-0 (= 3.4.10+ds-1), libseccomp2 (= 2.6.0-2+b1), libselinux-dev (= 3.10-1), libselinux1 (= 3.10-1), libsensors-config (= 1:3.6.2-2), libsensors5 (= 1:3.6.2-2+b2), libsepol-dev (= 3.10-1), libsepol2 (= 3.10-1), libsframe3 (= 2.46.50.20260617-1), libsharpyuv0 (= 1.5.0-0.1+b2), libsm-dev (= 2:1.2.6-1+b2), libsm6 (= 2:1.2.6-1+b2), libsmartcols1 (= 2.42.2-1), libsndfile1 (= 1.2.2-4+b1), libspdlog1.15 (= 1:1.15.3+ds-1+b2), libsqlite3-0 (= 3.53.3-1), libssh2-1t64 (= 1.11.1-4), libssl3t64 (= 3.6.3-1), libstdc++-15-dev (= 15.3.0-1), libstdc++6 (= 16.1.0-2), libsvtav1enc4 (= 4.1.0+dfsg-1), libsynctex2 (= 2026.20260303.78225+ds-4), libsysprof-capture-4-dev (= 50.0-3), libsystemd0 (= 261-1), libtasn1-6 (= 4.21.0-2+b1), libteckit0 (= 2.5.13+ds-2), libtexlua53-5 (= 2026.20260303.78225+ds-4), libtext-charwidth-perl (= 0.04-12), libtext-wrapi18n-perl (= 0.06-11), libthai-data (= 0.1.30-1), libthai0 (= 0.1.30-1+b1), libtiff6 (= 4.7.1-3), libtinfo6 (= 6.6+20251231-1+b1), libtool (= 2.5.4-11), libubsan1 (= 16.1.0-2), libuchardet0 (= 0.0.8-2+b2), libudev1 (= 261-1), libunistring5 (= 1.4.2-1), libuuid1 (= 2.42.2-1), libuv1t64 (= 1.52.1-4), libvorbis0a (= 1.3.7-3+b2), libvorbisenc2 (= 1.3.7-3+b2), libvulkan1 (= 1.4.341.0-1), libwayland-client0 (= 1.25.0-2), libwayland-cursor0 (= 1.25.0-2), libwayland-egl1 (= 1.25.0-2), libwebp7 (= 1.5.0-0.1+b2), libwxbase3.2-1t64 (= 3.2.9+dfsg-1+b1), libwxgtk-gl3.2-1t64 (= 3.2.9+dfsg-1+b1), libwxgtk3.2-1t64 (= 3.2.9+dfsg-1+b1), libwxgtk3.2-dev (= 3.2.9+dfsg-1+b1), libx11-6 (= 2:1.8.13-1), libx11-data (= 2:1.8.13-1), libx11-dev (= 2:1.8.13-1), libx11-xcb1 (= 2:1.8.13-1), libxapian30 (= 1.4.31-2), libxau-dev (= 1:1.0.11-1+b2), libxau6 (= 1:1.0.11-1+b2), libxaw7 (= 2:1.0.16-1+b2), libxcb-dri3-0 (= 1.17.0-2+b2), libxcb-glx0 (= 1.17.0-2+b2), libxcb-present0 (= 1.17.0-2+b2), libxcb-randr0 (= 1.17.0-2+b2), libxcb-render0 (= 1.17.0-2+b2), libxcb-render0-dev (= 1.17.0-2+b2), libxcb-shm0 (= 1.17.0-2+b2), libxcb-shm0-dev (= 1.17.0-2+b2), libxcb-sync1 (= 1.17.0-2+b2), libxcb-xfixes0 (= 1.17.0-2+b2), libxcb1 (= 1.17.0-2+b2), libxcb1-dev (= 1.17.0-2+b2), libxcomposite1 (= 1:0.4.6-1+b2), libxcursor1 (= 1:1.2.3-1+b2), libxdamage1 (= 1:1.1.7-1+b1), libxdmcp-dev (= 1:1.1.5-2+b1), libxdmcp6 (= 1:1.1.5-2+b1), libxdot4 (= 14.1.2-1+b2), libxext-dev (= 2:1.3.4-1+b4), libxext6 (= 2:1.3.4-1+b4), libxfixes3 (= 1:6.0.0-2+b5), libxi6 (= 2:1.8.2-2+b1), libxinerama1 (= 2:1.1.4-3+b5), libxkbcommon0 (= 1.13.1-1), libxml2-16 (= 2.15.3+dfsg-1), libxml2-dev (= 2.15.3+dfsg-1), libxmu6 (= 2:1.1.3-4+b1), libxpm4 (= 1:3.5.19-1), libxrandr2 (= 2:1.5.4-1+b4), libxrender-dev (= 1:0.9.12-1+b2), libxrender1 (= 1:0.9.12-1+b2), libxres1 (= 2:1.2.1-2), libxshmfence1 (= 1.3.3-1+b2), libxss1 (= 1:1.2.3-1+b4), libxt6t64 (= 1:1.2.1-1.3+b2), libxtst6 (= 2:1.2.5-1+b2), libxxf86vm1 (= 1:1.1.4-2+b1), libxxhash0 (= 0.8.3-2+b2), libyuv0 (= 0.0.1922.20260106-1+b1), libz3-4 (= 4.13.3-1.1), libzstd1 (= 1.5.7+dfsg-3+b2), linux-libc-dev (= 7.0.13-1), m4 (= 1.4.21-1), make (= 4.4.1-3), man-db (= 2.13.1-1), mawk (= 1.3.4.20260302-1), media-types (= 14.0.0), mesa-libgallium (= 26.1.2-1), mpi-default-bin (= 1.20), mpi-default-dev (= 1.20), mpich (= 5.0.1-5), native-architecture (= 0.2.6), ncurses-base (= 6.6+20251231-1), ncurses-bin (= 6.6+20251231-1+b1), netbase (= 6.5), openssl-provider-legacy (= 3.6.3-1), patch (= 2.8-2), perl (= 5.40.1-8), perl-base (= 5.40.1-8), perl-modules-5.40 (= 5.40.1-8), pkgconf (= 2.5.1-4), pkgconf-bin (= 2.5.1-4), po-debconf (= 1.0.22), poppler-data (= 0.4.12-1), preview-latex-style (= 13.2-1.1), procps (= 2:4.0.4-9+b2), python3 (= 3.14.6-1), python3-all (= 3.14.6-1), python3-autocommand (= 2.2.2-4), python3-dev (= 3.14.6-1), python3-inflect (= 7.5.0-1), python3-jaraco.context (= 6.0.1-2), python3-jaraco.functools (= 4.1.0-1), python3-jaraco.text (= 4.0.0-1), python3-minimal (= 3.14.6-1), python3-more-itertools (= 10.8.0-1), python3-packaging (= 26.2-2), python3-pkg-resources (= 78.1.1-0.1), python3-setuptools (= 78.1.1-0.1), python3-typeguard (= 4.4.4-2), python3-typing-extensions (= 4.15.0-2), python3-zipp (= 3.23.0-1), python3.13 (= 3.13.14-1), python3.13-minimal (= 3.13.14-1), python3.14 (= 3.14.6-1), python3.14-dev (= 3.14.6-1), python3.14-minimal (= 3.14.6-1), rapidjson-dev (= 1.1.0+dfsg2-7.6), readline-common (= 8.3-4), rpcsvc-proto (= 1.4.4-1), sed (= 4.9-3), sensible-utils (= 0.0.26), shared-mime-info (= 2.4-5+b3), swig (= 4.4.1-2), systemd-standalone-tmpfiles (= 261.1-2), sysvinit-utils (= 3.18-1), t1utils (= 1.41-4), tar (= 1.35+dfsg-4), tex-common (= 6.20), texlive-base (= 2026.20260527-3), texlive-binaries (= 2026.20260303.78225+ds-4), texlive-latex-base (= 2026.20260527-3), texlive-latex-extra (= 2026.20260527-1), texlive-latex-recommended (= 2026.20260527-3), texlive-pictures (= 2026.20260527-3), tzdata (= 2026b-1), ucf (= 3.0056), util-linux (= 2.42.2-1), uuid-dev (= 2.42.2-1), wx-common (= 3.2.9+dfsg-1+b1), wx3.2-headers (= 3.2.9+dfsg-1), x11-common (= 1:7.7+26), x11proto-dev (= 2025.1-1), xdg-utils (= 1.2.1-2), xfonts-encodings (= 1:1.0.4-2.2), xfonts-utils (= 1:7.7+7), xkb-data (= 2.47-1), xorg-sgml-doctools (= 1:1.12.1-1), xtrans-dev (= 1.6.0-1), xz-utils (= 5.8.3-1), zlib1g (= 1:1.3.dfsg+really1.3.2-3), zlib1g-dev (= 1:1.3.dfsg+really1.3.2-3) Environment: DEB_BUILD_OPTIONS="parallel=6" LANG="C.UTF-8" LC_COLLATE="C.UTF-8" LC_CTYPE="C.UTF-8" SOURCE_DATE_EPOCH="1782646238" +------------------------------------------------------------------------------+ | Package contents Mon, 29 Jun 2026 14:04:48 +0000 | +------------------------------------------------------------------------------+ libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb --------------------------------------------------------------- new Debian package, version 2.0. size 4870896 bytes: control archive=588 bytes. 535 bytes, 14 lines control 106 bytes, 1 lines md5sums Package: libchemistry-openbabel-perl-dbgsym Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Auto-Built-Package: debug-symbols Architecture: i386 Maintainer: Debichem Team Installed-Size: 5050 Depends: libchemistry-openbabel-perl (= 3.2.0+dfsg-1~exp+b1) Breaks: openbabel-dbg (<< 3.0.0+dfsg) Replaces: openbabel-dbg (<< 3.0.0+dfsg) Section: debug Priority: optional Description: debug symbols for libchemistry-openbabel-perl Build-Ids: 048aace0a78bc05f805dd77ce218f231f7b53492 drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/04/ -rw-r--r-- root/root 5160428 2026-06-28 11:30 ./usr/lib/debug/.build-id/04/8aace0a78bc05f805dd77ce218f231f7b53492.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/share/doc/libchemistry-openbabel-perl-dbgsym -> libchemistry-openbabel-perl libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb -------------------------------------------------------- new Debian package, version 2.0. size 668072 bytes: control archive=1200 bytes. 1288 bytes, 27 lines control 480 bytes, 5 lines md5sums Package: libchemistry-openbabel-perl Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Architecture: i386 Maintainer: Debichem Team Installed-Size: 4602 Depends: perl (>= 5.40.1-8), perlapi-5.40.1, libc6 (>= 2.38), libgcc-s1 (>= 3.0), libopenbabel8 (>= 3.2.0+dfsg), libperl5.40 (>= 5.40.0), libstdc++6 (>= 13.1) Section: perl Priority: optional Homepage: https://openbabel.org Description: Chemical toolbox library (perl bindings) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains Chemistry::Openbabel, the Perl binding for Open Babel. drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/Chemistry/ -rw-r--r-- root/root 266274 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/Chemistry/OpenBabel.pm drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/auto/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/auto/Chemistry/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/auto/Chemistry/OpenBabel/ -rw-r--r-- root/root 4414212 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/perl5/5.40/auto/Chemistry/OpenBabel/OpenBabel.so drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/libchemistry-openbabel-perl/ -rw-r--r-- root/root 838 2026-06-28 11:30 ./usr/share/doc/libchemistry-openbabel-perl/changelog.Debian.gz -rw-r--r-- root/root 250 2026-06-28 11:30 ./usr/share/doc/libchemistry-openbabel-perl/changelog.Debian.i386.gz -rw-r--r-- root/root 13323 2026-05-27 07:58 ./usr/share/doc/libchemistry-openbabel-perl/copyright libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb --------------------------------------------- new Debian package, version 2.0. size 180796 bytes: control archive=3600 bytes. 1185 bytes, 28 lines control 7894 bytes, 98 lines md5sums Package: libopenbabel-dev Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Architecture: i386 Maintainer: Debichem Team Installed-Size: 962 Depends: libopenbabel8 (= 3.2.0+dfsg-1~exp+b1) Suggests: libopenbabel-doc Section: libdevel Priority: optional Homepage: https://openbabel.org Description: Chemical toolbox library (development files) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains the static library and the header files. drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/openbabel3/ -rw-r--r-- root/root 5765 2026-05-26 17:11 ./usr/include/openbabel3/LBFGS.h drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/openbabel3/LBFGS/ -rw-r--r-- root/root 3893 2026-05-26 17:11 ./usr/include/openbabel3/LBFGS/LineSearchBacktracking.h -rw-r--r-- root/root 4239 2026-05-26 17:11 ./usr/include/openbabel3/LBFGS/LineSearchBracketing.h -rw-r--r-- root/root 6264 2026-05-26 17:11 ./usr/include/openbabel3/LBFGS/LineSearchNocedalWright.h -rw-r--r-- root/root 7743 2026-05-26 17:11 ./usr/include/openbabel3/LBFGS/Param.h drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/ -rw-r--r-- root/root 4358 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/alias.h -rw-r--r-- root/root 22556 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/atom.h -rw-r--r-- root/root 4810 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/babelconfig.h -rw-r--r-- root/root 13510 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/base.h -rw-r--r-- root/root 9029 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/bitvec.h -rw-r--r-- root/root 12183 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/bond.h -rw-r--r-- root/root 1798 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/bondtyper.h -rw-r--r-- root/root 8775 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/builder.h -rw-r--r-- root/root 2257 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/canon.h -rw-r--r-- root/root 11398 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/chains.h -rw-r--r-- root/root 4934 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/chargemodel.h -rw-r--r-- root/root 46675 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/chemdrawcdx.h -rw-r--r-- root/root 25016 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/conformersearch.h -rw-r--r-- root/root 10928 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/data.h -rw-r--r-- root/root 2949 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/data_utilities.h drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/depict/ -rw-r--r-- root/root 2444 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/depict/asciipainter.h -rw-r--r-- root/root 2237 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/depict/cairopainter.h -rw-r--r-- root/root 2102 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/depict/commandpainter.h -rw-r--r-- root/root 3301 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/depict/depict.h -rw-r--r-- root/root 6472 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/depict/painter.h -rw-r--r-- root/root 2868 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/depict/svgpainter.h -rw-r--r-- root/root 5088 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/descriptor.h -rw-r--r-- root/root 6160 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/distgeom.h -rw-r--r-- root/root 4128 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/dlhandler.h -rw-r--r-- root/root 12291 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/elements.h -rw-r--r-- root/root 7774 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/fingerprint.h -rw-r--r-- root/root 73094 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/forcefield.h -rw-r--r-- root/root 6351 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/format.h -rw-r--r-- root/root 41336 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/generic.h -rw-r--r-- root/root 2424 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/graphsym.h -rw-r--r-- root/root 12692 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/grid.h -rw-r--r-- root/root 5195 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/griddata.h -rw-r--r-- root/root 3031 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/groupcontrib.h -rw-r--r-- root/root 9641 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/inchiformat.h -rw-r--r-- root/root 2819 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/internalcoord.h -rw-r--r-- root/root 16139 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/isomorphism.h -rw-r--r-- root/root 1336 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/json.h -rw-r--r-- root/root 2021 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/kekulize.h -rw-r--r-- root/root 4831 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/kinetics.h -rw-r--r-- root/root 6608 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/lineend.h -rw-r--r-- root/root 1520 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/locale.h -rw-r--r-- root/root 2710 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/macrocycle.h drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/math/ -rw-r--r-- root/root 7774 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/math/align.h -rw-r--r-- root/root 2294 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/math/erf.h -rw-r--r-- root/root 9238 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/math/matrix3x3.h -rw-r--r-- root/root 3314 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/math/spacegroup.h -rw-r--r-- root/root 2397 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/math/transform3d.h -rw-r--r-- root/root 11723 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/math/vector3.h -rw-r--r-- root/root 2482 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/matrix.h -rw-r--r-- root/root 5978 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/mcdlutil.h -rw-r--r-- root/root 40066 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/mol.h -rw-r--r-- root/root 2218 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/molchrg.h -rw-r--r-- root/root 19909 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/obconversion.h -rw-r--r-- root/root 9014 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/oberror.h -rw-r--r-- root/root 2593 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/obfunctions.h -rw-r--r-- root/root 17049 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/obiter.h -rw-r--r-- root/root 6706 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/obmolecformat.h -rw-r--r-- root/root 10088 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/obutil.h -rw-r--r-- root/root 5563 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/op.h -rw-r--r-- root/root 2420 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/optransform.h -rw-r--r-- root/root 12102 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/parsmart.h -rw-r--r-- root/root 2339 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/patty.h -rw-r--r-- root/root 4161 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/phmodel.h -rw-r--r-- root/root 21201 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/plugin.h -rw-r--r-- root/root 2997 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/pointgroup.h -rw-r--r-- root/root 9165 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/query.h -rw-r--r-- root/root 3504 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/reaction.h -rw-r--r-- root/root 8091 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/reactionfacade.h -rw-r--r-- root/root 14939 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/residue.h -rw-r--r-- root/root 6934 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/ring.h -rw-r--r-- root/root 5775 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/rotamer.h -rw-r--r-- root/root 26588 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/rotor.h -rw-r--r-- root/root 31074 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/spectrophore.h drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/include/openbabel3/openbabel/stereo/ -rw-r--r-- root/root 8689 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/bindings.h -rw-r--r-- root/root 12931 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/cistrans.h -rw-r--r-- root/root 10613 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/squareplanar.h -rw-r--r-- root/root 48502 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/stereo.h -rw-r--r-- root/root 11262 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/tetrahedral.h -rw-r--r-- root/root 8115 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/tetranonplanar.h -rw-r--r-- root/root 4958 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/stereo/tetraplanar.h -rw-r--r-- root/root 4516 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/tautomer.h -rw-r--r-- root/root 3241 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/text.h -rw-r--r-- root/root 2455 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/tokenst.h -rw-r--r-- root/root 3257 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/typer.h -rw-r--r-- root/root 8039 2026-05-26 17:11 ./usr/include/openbabel3/openbabel/xml.h drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/cmake/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/cmake/openbabel3/ -rw-r--r-- root/root 1608 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3Config.cmake -rw-r--r-- root/root 1861 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3ConfigVersion.cmake -rw-r--r-- root/root 849 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3_EXPORTS-none.cmake -rw-r--r-- root/root 4618 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/cmake/openbabel3/OpenBabel3_EXPORTS.cmake lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/libopenbabel.so -> libopenbabel.so.8 drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/pkgconfig/ -rw-r--r-- root/root 267 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/pkgconfig/openbabel-3.pc drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/libopenbabel-dev/ -rw-r--r-- root/root 829 2026-06-28 11:30 ./usr/share/doc/libopenbabel-dev/changelog.Debian.gz -rw-r--r-- root/root 250 2026-06-28 11:30 ./usr/share/doc/libopenbabel-dev/changelog.Debian.i386.gz -rw-r--r-- root/root 13323 2026-05-27 07:58 ./usr/share/doc/libopenbabel-dev/copyright libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb ------------------------------------------------- new Debian package, version 2.0. size 45326312 bytes: control archive=6288 bytes. 5783 bytes, 14 lines control 13868 bytes, 131 lines md5sums Package: libopenbabel8-dbgsym Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Auto-Built-Package: debug-symbols Architecture: i386 Maintainer: Debichem Team Installed-Size: 46699 Depends: libopenbabel8 (= 3.2.0+dfsg-1~exp+b1) Breaks: openbabel-dbg (<< 3.0.0+dfsg) Replaces: openbabel-dbg (<< 3.0.0+dfsg) Section: debug Priority: optional Description: debug symbols for libopenbabel8 Build-Ids: 021b8e2d486e829ba93b4ace6c8ce58c4134004a 0257ea010f4a587db10fb3cace1ff58f0547c16c 039587f7b3593a24f569f15cf14685aff5e8cdcf 073c39ea187edf26fdef8d9ed0140e9f72c6f94d 0939f2e19028e4630fece73703610765df6b88f4 098efb650fc269f0dea3ff1956bb58e68c2e41a8 0c4540b9321014cc98985f9441a9e18a61254f9f 0cd095f33fbe9d42612bb15b6e126a0a5028162b 0ee13b0a23a259a34c38ebb3b575355ba5041e65 1098137de67b63482e6c15bdc5f101d93f244b64 14b37960df50da7155fc12c6c0f42329fef20b51 14ca10229df4038b6571ba98c8cc5c4b72a08c64 15944468836f35099fbf209e8e5dbb3d7fe1813d 166fca1dcdddc23e21b89ebc048098c35079a32f 183e61f49adeb3c3b1e0d6f0685ccdf23437404e 19cd0c90c3dd1455224e0694064bac72b26a4fcb 1a4f56cce855fe418a58c28a2146ece8558ea68d 1adc7f7f041f822e2a0125cd986dfd70be724fa9 1c46b13ddc91f56a7aff3df96302a069e85a1e67 1c4963d3d2a94da3c8e9c948065cb3c0c7b79281 20a3664b340fe11cd75435337f6f72922d990a0d 251bb71f64e2739fd8f4388fc997b2242e590632 28063f896cf727b198030fee84f00443c94cd03b 296537a2e240148d953840ba72ac9c8b8baf018e 2f68f32fdf38e445e33fbad3d83ebb706a291ebc 3043702fe00aa64b927b95d09ec60e334374a243 35f58b5b4e1e7beb355f09baf3becf9119d0c7a7 37d29cd348b741eca650260151dc79c48dd61e35 38027cbd81a2ea5da46479df725824f5a89591f5 3b79d6e8fde9cfe39257657a8e0860703439b2f3 3cc330af7ec0b8955b01389ec6ec6ba30cf2a324 3e9415a265694d099f296579fb0f0bbdbd32af02 3ea09b3af264ed0034b32dbd590a71d57728f1d4 40b2f26809894d064a9cb8160b11284a7c812082 416941eb1e068513d1fb5c472786e740316e2e61 41a1febb448971cabf53ad7bf65a63b9fae84cdf 44f2b4c8c28aad67e8ac9c756de9c4edba62a0dd 45371f93d1e1fea0a77e5fefe0a0eec4f24ef36a 47460d0adba85d4f46f7e715b3a4e4d097e1500e 47f23ace5398c2d3ce8953ba4026c076ee7b258e 481356778b5ce555a0dd450dfbd2c17ca25b9e55 4b7b66c65e86b891265fab129a73ab1652f0e382 4bb0a1c7ec0e56be7c4e79ea79f07d7997c6cb29 4bc455b44fbe573a666bf64c62237a58f3204604 4daac48bf1262a5dac9fa2406721aa2f814ea4af 4f24ef012e82c61f853cee0c976c615d62933334 5010b3116d3f1bfd4c5f6f1d9e1a7780ba6eae28 519addd6afbef0f377f361fe5b7efb89fd6944f0 5395857485cef4de23b7ebf4c6fd660195acb009 53a578b6b55710febea1ea6abeb4499b95e9b2ce 53e19a31f8fe72a9d747ccae7d102c0a83b1ecf3 56c5ecee72a78f351a86820e0591cbc8c59ab172 5b12dd97c757971d29e3fe8484175ed305b523f4 5d31cbce3421f4bfed92902c9eaf10ef01d79bb5 5d781a6193f7bbbd414fcd3ba46f0f859c45953a 612c4904431aa0a661bc4ea2c674f7a735314ae6 6187ab7701130d631d5962cc7023aba1e9df1187 623ca1464250b34171462f685654e49593d0861a 6297fb51ec94d6eec24cb471fe73f3b1966ef009 6317dba8e151fcef854293c260986af8aaf7a27e 64bee7f7468f6f671235cb36e71f0d348eb21d76 65d3f86832eff0023d685e4b798e99a62c05dfcd 6b17a4889a8bcdddfe1f65b4f19fb377fd9cb3af 6dfecafa6ab8d19b5601104fac44ef2e61b79049 6e8a2afa022c977e07540c2c0c7e4659237b68bc 6eb240fa29eea5682078f936c34bdb10260defd7 6f487a5fb7ae23810f913e644a1c02d42f9e57d2 6fbb31784f225a75756c28756855d2f3e162824a 70627f9466eba37d24f939a0aee4807dd4211cc4 72db716d9e08576fa0c48316763e37441c3ce51d 72eef7fcf7324c3daa67409a8a10ca431b1f471d 72f2ad84e19cd87fd08ad838e5fb71662dfff4a3 73a4cabb461ea878670a1aaad41bc2a2140d27a8 77b5455bdc93dff8c9c0b96844b663bb0face7d1 7c846490fddc0181a4edf897252f20ac8dbdae41 7cf8e3fab0e1fdbbfa348826ee39ef3d1903f150 80dd29cb1b514dd6355f478a6a7e3d7c825ec6df 8127ae146ca65aa2d4f127e2cfe60a57a57f9854 8298c68265f1f5b4d69cc6a787962011bc4e7915 86f6b196c77976041a04c42b73a90bed244b444a 8855294bd4fd0c8d1b84d3c4900cbd9990d9d96e 89c657829c7b7bfd5b2d38fcaf9afc22929229bd 89d364768550de15d6ec8c954d386345dfe4c873 8c85c1375eb3a2aab3c2c4814a43d52072742724 92f2e2b16cf69640fd9b32289313e8cb24affce6 946bad2f3eec8faeb855d8164624434671f952da 9799f4b94f56d255bb22eae5ab5c9b00a9f3673b 983dc75584dc4ff89795c74c2167eed228eaf983 9b07b72ac8e44b7620418d577ed665a8b87b9954 9bb4df0471546abc038b6d3a13a0252e1f72e6d0 a05fcf810f04b4b7f44a73ac7f6f9bbfc21e727e a17a81f4928c0b2e0fe76a799df3f13856018905 a19729879e571c69a4c2d62a19e4a1ca3001e0bc a1b497751725e52431bccb5eff5c3b58545f2b39 a39c680227bff71d134a7daf8146aa0844471e68 a8812801d73e7bed5f7d4b4642e5322176542f0c aa4c3345ca5e4ccd70e26c12a76487c36a16bd44 ac937222cbc1eb6b1fd554424987b6a6f173d068 aeb2cfa3b35abeaa0b3a85cd75e3931f803286ed aef8002d5b88178c62e0511a8e0e0f1978943e04 b1a6761d30873728e3bf586910008cb05fc5a9e0 b3eb43f8ebcf6de3fad9f5c2a48aff5ea4624f9b b404931d733119df25d828617d0ab1fe020469cc b6cd5ef0bbfdb0999c08030c9ee3c919e2f363ef b86affa8d10b3b9eb8d00543303667d0a440c9eb b97f7afb8858fd80be8d94f209e77f8471c2c270 badaccb54cdb3805840c0dbb6e6c710ed0eaabd4 bbbdb42943be62bbe5a8c38c7755dd01e9ea775b be40d89451470f47267010cd82549e38ca591d2f c497d15a511d5e156423b3c0df31af5b15d64b39 c51d3fc1b2e5fa3db569ae28a07ec989264c60e7 c64aa493215ed338e23f51efef48540a49cd65a1 d6797193291e70c5e8ce74ab5bf3f548a8c1b237 d7d9bdd7cd64635f362b4f74010ed4149a8ba372 ddc80c86de626d3ef8461928a4c35904b668efd9 de2f07109541df93e641101819480e4d9815cb6d df53f35187a6d6f90e09f5ac5372cdd95a79a18f e0d34af8c401017cd92d223b286dc453f424165f e4d392759f70f33522686b9895fb59b33494b9d4 e713d3bade3160ea83ef4cc7f8f60e77fcaaa412 eb1932fa7b9d60b0de96d9b12633efb3f0c21a35 ebc5865b8b39bb89d1a4c2a76e584bf084e7e3bf ee840a81327172462603661327c2cc9519f2a07f efb176ceec88f58cce61f65c58ab2562fe0c4b10 f26fd6504a55c2399d3205631b7721e34a2c0d23 f46c08f30cae97576c6cc7ef9d1b2988c453c43b f6a18e31a352a559b91c2d17902e314673f73c22 f6b6b30c4850a0cedb37c53e8f46aaf14251933f fa17afa7a45d7c29a35216b2212b4d99c775182c faa2bb471921783dcb09099bf9842ce4c4eeb760 drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/02/ -rw-r--r-- root/root 56984 2026-06-28 11:30 ./usr/lib/debug/.build-id/02/1b8e2d486e829ba93b4ace6c8ce58c4134004a.debug -rw-r--r-- root/root 441700 2026-06-28 11:30 ./usr/lib/debug/.build-id/02/57ea010f4a587db10fb3cace1ff58f0547c16c.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/03/ -rw-r--r-- root/root 56696 2026-06-28 11:30 ./usr/lib/debug/.build-id/03/9587f7b3593a24f569f15cf14685aff5e8cdcf.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/07/ -rw-r--r-- root/root 89584 2026-06-28 11:30 ./usr/lib/debug/.build-id/07/3c39ea187edf26fdef8d9ed0140e9f72c6f94d.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/09/ -rw-r--r-- root/root 90320 2026-06-28 11:30 ./usr/lib/debug/.build-id/09/39f2e19028e4630fece73703610765df6b88f4.debug -rw-r--r-- root/root 100588 2026-06-28 11:30 ./usr/lib/debug/.build-id/09/8efb650fc269f0dea3ff1956bb58e68c2e41a8.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/0c/ -rw-r--r-- root/root 5533024 2026-06-28 11:30 ./usr/lib/debug/.build-id/0c/4540b9321014cc98985f9441a9e18a61254f9f.debug -rw-r--r-- root/root 49948 2026-06-28 11:30 ./usr/lib/debug/.build-id/0c/d095f33fbe9d42612bb15b6e126a0a5028162b.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/0e/ -rw-r--r-- root/root 257916 2026-06-28 11:30 ./usr/lib/debug/.build-id/0e/e13b0a23a259a34c38ebb3b575355ba5041e65.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/10/ -rw-r--r-- root/root 51392 2026-06-28 11:30 ./usr/lib/debug/.build-id/10/98137de67b63482e6c15bdc5f101d93f244b64.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/14/ -rw-r--r-- root/root 759536 2026-06-28 11:30 ./usr/lib/debug/.build-id/14/b37960df50da7155fc12c6c0f42329fef20b51.debug -rw-r--r-- root/root 51088 2026-06-28 11:30 ./usr/lib/debug/.build-id/14/ca10229df4038b6571ba98c8cc5c4b72a08c64.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/15/ -rw-r--r-- root/root 68632 2026-06-28 11:30 ./usr/lib/debug/.build-id/15/944468836f35099fbf209e8e5dbb3d7fe1813d.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/16/ -rw-r--r-- root/root 100772 2026-06-28 11:30 ./usr/lib/debug/.build-id/16/6fca1dcdddc23e21b89ebc048098c35079a32f.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/18/ -rw-r--r-- root/root 173932 2026-06-28 11:30 ./usr/lib/debug/.build-id/18/3e61f49adeb3c3b1e0d6f0685ccdf23437404e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/19/ -rw-r--r-- root/root 147088 2026-06-28 11:30 ./usr/lib/debug/.build-id/19/cd0c90c3dd1455224e0694064bac72b26a4fcb.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/1a/ -rw-r--r-- root/root 171308 2026-06-28 11:30 ./usr/lib/debug/.build-id/1a/4f56cce855fe418a58c28a2146ece8558ea68d.debug -rw-r--r-- root/root 357320 2026-06-28 11:30 ./usr/lib/debug/.build-id/1a/dc7f7f041f822e2a0125cd986dfd70be724fa9.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/1c/ -rw-r--r-- root/root 330564 2026-06-28 11:30 ./usr/lib/debug/.build-id/1c/46b13ddc91f56a7aff3df96302a069e85a1e67.debug -rw-r--r-- root/root 1733488 2026-06-28 11:30 ./usr/lib/debug/.build-id/1c/4963d3d2a94da3c8e9c948065cb3c0c7b79281.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/20/ -rw-r--r-- root/root 100484 2026-06-28 11:30 ./usr/lib/debug/.build-id/20/a3664b340fe11cd75435337f6f72922d990a0d.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/25/ -rw-r--r-- root/root 87976 2026-06-28 11:30 ./usr/lib/debug/.build-id/25/1bb71f64e2739fd8f4388fc997b2242e590632.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/28/ -rw-r--r-- root/root 75308 2026-06-28 11:30 ./usr/lib/debug/.build-id/28/063f896cf727b198030fee84f00443c94cd03b.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/29/ -rw-r--r-- root/root 201264 2026-06-28 11:30 ./usr/lib/debug/.build-id/29/6537a2e240148d953840ba72ac9c8b8baf018e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/2f/ -rw-r--r-- root/root 54468 2026-06-28 11:30 ./usr/lib/debug/.build-id/2f/68f32fdf38e445e33fbad3d83ebb706a291ebc.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/30/ -rw-r--r-- root/root 83396 2026-06-28 11:30 ./usr/lib/debug/.build-id/30/43702fe00aa64b927b95d09ec60e334374a243.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/35/ -rw-r--r-- root/root 129428 2026-06-28 11:30 ./usr/lib/debug/.build-id/35/f58b5b4e1e7beb355f09baf3becf9119d0c7a7.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/37/ -rw-r--r-- root/root 79216 2026-06-28 11:30 ./usr/lib/debug/.build-id/37/d29cd348b741eca650260151dc79c48dd61e35.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/38/ -rw-r--r-- root/root 126692 2026-06-28 11:30 ./usr/lib/debug/.build-id/38/027cbd81a2ea5da46479df725824f5a89591f5.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/3b/ -rw-r--r-- root/root 187176 2026-06-28 11:30 ./usr/lib/debug/.build-id/3b/79d6e8fde9cfe39257657a8e0860703439b2f3.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/3c/ -rw-r--r-- root/root 152416 2026-06-28 11:30 ./usr/lib/debug/.build-id/3c/c330af7ec0b8955b01389ec6ec6ba30cf2a324.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/3e/ -rw-r--r-- root/root 97456 2026-06-28 11:30 ./usr/lib/debug/.build-id/3e/9415a265694d099f296579fb0f0bbdbd32af02.debug -rw-r--r-- root/root 452108 2026-06-28 11:30 ./usr/lib/debug/.build-id/3e/a09b3af264ed0034b32dbd590a71d57728f1d4.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/40/ -rw-r--r-- root/root 240088 2026-06-28 11:30 ./usr/lib/debug/.build-id/40/b2f26809894d064a9cb8160b11284a7c812082.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/41/ -rw-r--r-- root/root 342384 2026-06-28 11:30 ./usr/lib/debug/.build-id/41/6941eb1e068513d1fb5c472786e740316e2e61.debug -rw-r--r-- root/root 64444 2026-06-28 11:30 ./usr/lib/debug/.build-id/41/a1febb448971cabf53ad7bf65a63b9fae84cdf.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/44/ -rw-r--r-- root/root 101632 2026-06-28 11:30 ./usr/lib/debug/.build-id/44/f2b4c8c28aad67e8ac9c756de9c4edba62a0dd.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/45/ -rw-r--r-- root/root 118360 2026-06-28 11:30 ./usr/lib/debug/.build-id/45/371f93d1e1fea0a77e5fefe0a0eec4f24ef36a.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/47/ -rw-r--r-- root/root 68656 2026-06-28 11:30 ./usr/lib/debug/.build-id/47/460d0adba85d4f46f7e715b3a4e4d097e1500e.debug -rw-r--r-- root/root 102556 2026-06-28 11:30 ./usr/lib/debug/.build-id/47/f23ace5398c2d3ce8953ba4026c076ee7b258e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/48/ -rw-r--r-- root/root 14459400 2026-06-28 11:30 ./usr/lib/debug/.build-id/48/1356778b5ce555a0dd450dfbd2c17ca25b9e55.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/4b/ -rw-r--r-- root/root 598644 2026-06-28 11:30 ./usr/lib/debug/.build-id/4b/7b66c65e86b891265fab129a73ab1652f0e382.debug -rw-r--r-- root/root 734932 2026-06-28 11:30 ./usr/lib/debug/.build-id/4b/b0a1c7ec0e56be7c4e79ea79f07d7997c6cb29.debug -rw-r--r-- root/root 419104 2026-06-28 11:30 ./usr/lib/debug/.build-id/4b/c455b44fbe573a666bf64c62237a58f3204604.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/4d/ -rw-r--r-- root/root 78512 2026-06-28 11:30 ./usr/lib/debug/.build-id/4d/aac48bf1262a5dac9fa2406721aa2f814ea4af.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/4f/ -rw-r--r-- root/root 63688 2026-06-28 11:30 ./usr/lib/debug/.build-id/4f/24ef012e82c61f853cee0c976c615d62933334.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/50/ -rw-r--r-- root/root 58276 2026-06-28 11:30 ./usr/lib/debug/.build-id/50/10b3116d3f1bfd4c5f6f1d9e1a7780ba6eae28.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/51/ -rw-r--r-- root/root 197240 2026-06-28 11:30 ./usr/lib/debug/.build-id/51/9addd6afbef0f377f361fe5b7efb89fd6944f0.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/53/ -rw-r--r-- root/root 58408 2026-06-28 11:30 ./usr/lib/debug/.build-id/53/95857485cef4de23b7ebf4c6fd660195acb009.debug -rw-r--r-- root/root 276644 2026-06-28 11:30 ./usr/lib/debug/.build-id/53/a578b6b55710febea1ea6abeb4499b95e9b2ce.debug -rw-r--r-- root/root 135120 2026-06-28 11:30 ./usr/lib/debug/.build-id/53/e19a31f8fe72a9d747ccae7d102c0a83b1ecf3.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/56/ -rw-r--r-- root/root 146564 2026-06-28 11:30 ./usr/lib/debug/.build-id/56/c5ecee72a78f351a86820e0591cbc8c59ab172.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/5b/ -rw-r--r-- root/root 296144 2026-06-28 11:30 ./usr/lib/debug/.build-id/5b/12dd97c757971d29e3fe8484175ed305b523f4.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/5d/ -rw-r--r-- root/root 391644 2026-06-28 11:30 ./usr/lib/debug/.build-id/5d/31cbce3421f4bfed92902c9eaf10ef01d79bb5.debug -rw-r--r-- root/root 61488 2026-06-28 11:30 ./usr/lib/debug/.build-id/5d/781a6193f7bbbd414fcd3ba46f0f859c45953a.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/61/ -rw-r--r-- root/root 43376 2026-06-28 11:30 ./usr/lib/debug/.build-id/61/2c4904431aa0a661bc4ea2c674f7a735314ae6.debug -rw-r--r-- root/root 87420 2026-06-28 11:30 ./usr/lib/debug/.build-id/61/87ab7701130d631d5962cc7023aba1e9df1187.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/62/ -rw-r--r-- root/root 190384 2026-06-28 11:30 ./usr/lib/debug/.build-id/62/3ca1464250b34171462f685654e49593d0861a.debug -rw-r--r-- root/root 336484 2026-06-28 11:30 ./usr/lib/debug/.build-id/62/97fb51ec94d6eec24cb471fe73f3b1966ef009.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/63/ -rw-r--r-- root/root 99916 2026-06-28 11:30 ./usr/lib/debug/.build-id/63/17dba8e151fcef854293c260986af8aaf7a27e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/64/ -rw-r--r-- root/root 128844 2026-06-28 11:30 ./usr/lib/debug/.build-id/64/bee7f7468f6f671235cb36e71f0d348eb21d76.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/65/ -rw-r--r-- root/root 300348 2026-06-28 11:30 ./usr/lib/debug/.build-id/65/d3f86832eff0023d685e4b798e99a62c05dfcd.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/6b/ -rw-r--r-- root/root 80980 2026-06-28 11:30 ./usr/lib/debug/.build-id/6b/17a4889a8bcdddfe1f65b4f19fb377fd9cb3af.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/6d/ -rw-r--r-- root/root 390180 2026-06-28 11:30 ./usr/lib/debug/.build-id/6d/fecafa6ab8d19b5601104fac44ef2e61b79049.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/6e/ -rw-r--r-- root/root 86072 2026-06-28 11:30 ./usr/lib/debug/.build-id/6e/8a2afa022c977e07540c2c0c7e4659237b68bc.debug -rw-r--r-- root/root 317752 2026-06-28 11:30 ./usr/lib/debug/.build-id/6e/b240fa29eea5682078f936c34bdb10260defd7.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/6f/ -rw-r--r-- root/root 123196 2026-06-28 11:30 ./usr/lib/debug/.build-id/6f/487a5fb7ae23810f913e644a1c02d42f9e57d2.debug -rw-r--r-- root/root 102692 2026-06-28 11:30 ./usr/lib/debug/.build-id/6f/bb31784f225a75756c28756855d2f3e162824a.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/70/ -rw-r--r-- root/root 620340 2026-06-28 11:30 ./usr/lib/debug/.build-id/70/627f9466eba37d24f939a0aee4807dd4211cc4.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/72/ -rw-r--r-- root/root 62596 2026-06-28 11:30 ./usr/lib/debug/.build-id/72/db716d9e08576fa0c48316763e37441c3ce51d.debug -rw-r--r-- root/root 91372 2026-06-28 11:30 ./usr/lib/debug/.build-id/72/eef7fcf7324c3daa67409a8a10ca431b1f471d.debug -rw-r--r-- root/root 123884 2026-06-28 11:30 ./usr/lib/debug/.build-id/72/f2ad84e19cd87fd08ad838e5fb71662dfff4a3.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/73/ -rw-r--r-- root/root 311852 2026-06-28 11:30 ./usr/lib/debug/.build-id/73/a4cabb461ea878670a1aaad41bc2a2140d27a8.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/77/ -rw-r--r-- root/root 73408 2026-06-28 11:30 ./usr/lib/debug/.build-id/77/b5455bdc93dff8c9c0b96844b663bb0face7d1.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/7c/ -rw-r--r-- root/root 765540 2026-06-28 11:30 ./usr/lib/debug/.build-id/7c/846490fddc0181a4edf897252f20ac8dbdae41.debug -rw-r--r-- root/root 75876 2026-06-28 11:30 ./usr/lib/debug/.build-id/7c/f8e3fab0e1fdbbfa348826ee39ef3d1903f150.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/80/ -rw-r--r-- root/root 55924 2026-06-28 11:30 ./usr/lib/debug/.build-id/80/dd29cb1b514dd6355f478a6a7e3d7c825ec6df.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/81/ -rw-r--r-- root/root 181336 2026-06-28 11:30 ./usr/lib/debug/.build-id/81/27ae146ca65aa2d4f127e2cfe60a57a57f9854.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/82/ -rw-r--r-- root/root 346248 2026-06-28 11:30 ./usr/lib/debug/.build-id/82/98c68265f1f5b4d69cc6a787962011bc4e7915.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/86/ -rw-r--r-- root/root 178052 2026-06-28 11:30 ./usr/lib/debug/.build-id/86/f6b196c77976041a04c42b73a90bed244b444a.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/88/ -rw-r--r-- root/root 194444 2026-06-28 11:30 ./usr/lib/debug/.build-id/88/55294bd4fd0c8d1b84d3c4900cbd9990d9d96e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/89/ -rw-r--r-- root/root 100992 2026-06-28 11:30 ./usr/lib/debug/.build-id/89/c657829c7b7bfd5b2d38fcaf9afc22929229bd.debug -rw-r--r-- root/root 127024 2026-06-28 11:30 ./usr/lib/debug/.build-id/89/d364768550de15d6ec8c954d386345dfe4c873.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/8c/ -rw-r--r-- root/root 69504 2026-06-28 11:30 ./usr/lib/debug/.build-id/8c/85c1375eb3a2aab3c2c4814a43d52072742724.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/92/ -rw-r--r-- root/root 61908 2026-06-28 11:30 ./usr/lib/debug/.build-id/92/f2e2b16cf69640fd9b32289313e8cb24affce6.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/94/ -rw-r--r-- root/root 149160 2026-06-28 11:30 ./usr/lib/debug/.build-id/94/6bad2f3eec8faeb855d8164624434671f952da.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/97/ -rw-r--r-- root/root 269084 2026-06-28 11:30 ./usr/lib/debug/.build-id/97/99f4b94f56d255bb22eae5ab5c9b00a9f3673b.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/98/ -rw-r--r-- root/root 66960 2026-06-28 11:30 ./usr/lib/debug/.build-id/98/3dc75584dc4ff89795c74c2167eed228eaf983.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/9b/ -rw-r--r-- root/root 71348 2026-06-28 11:30 ./usr/lib/debug/.build-id/9b/07b72ac8e44b7620418d577ed665a8b87b9954.debug -rw-r--r-- root/root 97020 2026-06-28 11:30 ./usr/lib/debug/.build-id/9b/b4df0471546abc038b6d3a13a0252e1f72e6d0.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/a0/ -rw-r--r-- root/root 88408 2026-06-28 11:30 ./usr/lib/debug/.build-id/a0/5fcf810f04b4b7f44a73ac7f6f9bbfc21e727e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/a1/ -rw-r--r-- root/root 59884 2026-06-28 11:30 ./usr/lib/debug/.build-id/a1/7a81f4928c0b2e0fe76a799df3f13856018905.debug -rw-r--r-- root/root 389568 2026-06-28 11:30 ./usr/lib/debug/.build-id/a1/9729879e571c69a4c2d62a19e4a1ca3001e0bc.debug -rw-r--r-- root/root 404472 2026-06-28 11:30 ./usr/lib/debug/.build-id/a1/b497751725e52431bccb5eff5c3b58545f2b39.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/a3/ -rw-r--r-- root/root 127008 2026-06-28 11:30 ./usr/lib/debug/.build-id/a3/9c680227bff71d134a7daf8146aa0844471e68.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/a8/ -rw-r--r-- root/root 103132 2026-06-28 11:30 ./usr/lib/debug/.build-id/a8/812801d73e7bed5f7d4b4642e5322176542f0c.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/aa/ -rw-r--r-- root/root 150688 2026-06-28 11:30 ./usr/lib/debug/.build-id/aa/4c3345ca5e4ccd70e26c12a76487c36a16bd44.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ac/ -rw-r--r-- root/root 253332 2026-06-28 11:30 ./usr/lib/debug/.build-id/ac/937222cbc1eb6b1fd554424987b6a6f173d068.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ae/ -rw-r--r-- root/root 49652 2026-06-28 11:30 ./usr/lib/debug/.build-id/ae/b2cfa3b35abeaa0b3a85cd75e3931f803286ed.debug -rw-r--r-- root/root 1940256 2026-06-28 11:30 ./usr/lib/debug/.build-id/ae/f8002d5b88178c62e0511a8e0e0f1978943e04.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b1/ -rw-r--r-- root/root 54432 2026-06-28 11:30 ./usr/lib/debug/.build-id/b1/a6761d30873728e3bf586910008cb05fc5a9e0.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b3/ -rw-r--r-- root/root 58380 2026-06-28 11:30 ./usr/lib/debug/.build-id/b3/eb43f8ebcf6de3fad9f5c2a48aff5ea4624f9b.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b4/ -rw-r--r-- root/root 31864 2026-06-28 11:30 ./usr/lib/debug/.build-id/b4/04931d733119df25d828617d0ab1fe020469cc.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b6/ -rw-r--r-- root/root 238484 2026-06-28 11:30 ./usr/lib/debug/.build-id/b6/cd5ef0bbfdb0999c08030c9ee3c919e2f363ef.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b8/ -rw-r--r-- root/root 77036 2026-06-28 11:30 ./usr/lib/debug/.build-id/b8/6affa8d10b3b9eb8d00543303667d0a440c9eb.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b9/ -rw-r--r-- root/root 38712 2026-06-28 11:30 ./usr/lib/debug/.build-id/b9/7f7afb8858fd80be8d94f209e77f8471c2c270.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ba/ -rw-r--r-- root/root 214132 2026-06-28 11:30 ./usr/lib/debug/.build-id/ba/daccb54cdb3805840c0dbb6e6c710ed0eaabd4.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/bb/ -rw-r--r-- root/root 159784 2026-06-28 11:30 ./usr/lib/debug/.build-id/bb/bdb42943be62bbe5a8c38c7755dd01e9ea775b.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/be/ -rw-r--r-- root/root 142372 2026-06-28 11:30 ./usr/lib/debug/.build-id/be/40d89451470f47267010cd82549e38ca591d2f.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/c4/ -rw-r--r-- root/root 75856 2026-06-28 11:30 ./usr/lib/debug/.build-id/c4/97d15a511d5e156423b3c0df31af5b15d64b39.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/c5/ -rw-r--r-- root/root 336152 2026-06-28 11:30 ./usr/lib/debug/.build-id/c5/1d3fc1b2e5fa3db569ae28a07ec989264c60e7.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/c6/ -rw-r--r-- root/root 58128 2026-06-28 11:30 ./usr/lib/debug/.build-id/c6/4aa493215ed338e23f51efef48540a49cd65a1.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/d6/ -rw-r--r-- root/root 90344 2026-06-28 11:30 ./usr/lib/debug/.build-id/d6/797193291e70c5e8ce74ab5bf3f548a8c1b237.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/d7/ -rw-r--r-- root/root 431552 2026-06-28 11:30 ./usr/lib/debug/.build-id/d7/d9bdd7cd64635f362b4f74010ed4149a8ba372.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/dd/ -rw-r--r-- root/root 85068 2026-06-28 11:30 ./usr/lib/debug/.build-id/dd/c80c86de626d3ef8461928a4c35904b668efd9.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/de/ -rw-r--r-- root/root 71184 2026-06-28 11:30 ./usr/lib/debug/.build-id/de/2f07109541df93e641101819480e4d9815cb6d.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/df/ -rw-r--r-- root/root 166216 2026-06-28 11:30 ./usr/lib/debug/.build-id/df/53f35187a6d6f90e09f5ac5372cdd95a79a18f.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/e0/ -rw-r--r-- root/root 222452 2026-06-28 11:30 ./usr/lib/debug/.build-id/e0/d34af8c401017cd92d223b286dc453f424165f.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/e4/ -rw-r--r-- root/root 165508 2026-06-28 11:30 ./usr/lib/debug/.build-id/e4/d392759f70f33522686b9895fb59b33494b9d4.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/e7/ -rw-r--r-- root/root 764292 2026-06-28 11:30 ./usr/lib/debug/.build-id/e7/13d3bade3160ea83ef4cc7f8f60e77fcaaa412.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/eb/ -rw-r--r-- root/root 54640 2026-06-28 11:30 ./usr/lib/debug/.build-id/eb/1932fa7b9d60b0de96d9b12633efb3f0c21a35.debug -rw-r--r-- root/root 558592 2026-06-28 11:30 ./usr/lib/debug/.build-id/eb/c5865b8b39bb89d1a4c2a76e584bf084e7e3bf.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ee/ -rw-r--r-- root/root 100836 2026-06-28 11:30 ./usr/lib/debug/.build-id/ee/840a81327172462603661327c2cc9519f2a07f.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ef/ -rw-r--r-- root/root 103992 2026-06-28 11:30 ./usr/lib/debug/.build-id/ef/b176ceec88f58cce61f65c58ab2562fe0c4b10.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/f2/ -rw-r--r-- root/root 70752 2026-06-28 11:30 ./usr/lib/debug/.build-id/f2/6fd6504a55c2399d3205631b7721e34a2c0d23.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/f4/ -rw-r--r-- root/root 79988 2026-06-28 11:30 ./usr/lib/debug/.build-id/f4/6c08f30cae97576c6cc7ef9d1b2988c453c43b.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/f6/ -rw-r--r-- root/root 82412 2026-06-28 11:30 ./usr/lib/debug/.build-id/f6/a18e31a352a559b91c2d17902e314673f73c22.debug -rw-r--r-- root/root 292132 2026-06-28 11:30 ./usr/lib/debug/.build-id/f6/b6b30c4850a0cedb37c53e8f46aaf14251933f.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/fa/ -rw-r--r-- root/root 95204 2026-06-28 11:30 ./usr/lib/debug/.build-id/fa/17afa7a45d7c29a35216b2212b4d99c775182c.debug -rw-r--r-- root/root 95836 2026-06-28 11:30 ./usr/lib/debug/.build-id/fa/a2bb471921783dcb09099bf9842ce4c4eeb760.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.dwz/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.dwz/i386-linux-gnu/ -rw-r--r-- root/root 1204860 2026-06-28 11:30 ./usr/lib/debug/.dwz/i386-linux-gnu/libopenbabel8.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/share/doc/libopenbabel8-dbgsym -> libopenbabel8 libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb ------------------------------------------ new Debian package, version 2.0. size 3629768 bytes: control archive=5780 bytes. 1324 bytes, 29 lines control 15734 bytes, 188 lines md5sums 45 bytes, 1 lines shlibs 65 bytes, 2 lines triggers Package: libopenbabel8 Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Architecture: i386 Maintainer: Debichem Team Installed-Size: 16555 Depends: libc6 (>= 2.42), libcairo2 (>= 1.2.4), libgcc-s1 (>= 3.4), libgomp1 (>= 4.9), libinchi1.07 (>= 1.07.3+dfsg), libmaeparser1 (>= 1.3.3), libstdc++6 (>= 13.1), libxml2-16 (>= 2.14.1), zlib1g (>= 1:1.1.4) Conflicts: libopenbabel4 Replaces: libopenbabel4 Section: libs Priority: optional Homepage: https://openbabel.org Description: Chemical toolbox library Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains the shared library. drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/ lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/libopenbabel.so.8 -> libopenbabel.so.8.0.0 -rw-r--r-- root/root 3707976 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/libopenbabel.so.8.0.0 drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/ -rw-r--r-- root/root 18076 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/APIInterface.so -rw-r--r-- root/root 22184 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/CSRformat.so -rw-r--r-- root/root 120708 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/MCDLformat.so -rw-r--r-- root/root 42764 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/MNAformat.so -rw-r--r-- root/root 38984 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/PQSformat.so -rw-r--r-- root/root 26324 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/abinitformat.so -rw-r--r-- root/root 42724 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/acesformat.so -rw-r--r-- root/root 26288 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/acrformat.so -rw-r--r-- root/root 88012 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/adfformat.so -rw-r--r-- root/root 26328 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/alchemyformat.so -rw-r--r-- root/root 22188 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/amberformat.so -rw-r--r-- root/root 34500 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/aoforceformat.so -rw-r--r-- root/root 38668 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/asciiformat.so -rw-r--r-- root/root 22236 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/balstformat.so -rw-r--r-- root/root 34584 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/bgfformat.so -rw-r--r-- root/root 30392 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/boxformat.so -rw-r--r-- root/root 30492 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cacaoformat.so -rw-r--r-- root/root 26256 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cacheformat.so -rw-r--r-- root/root 26320 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/carformat.so -rw-r--r-- root/root 26320 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/castepformat.so -rw-r--r-- root/root 22196 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cccformat.so -rw-r--r-- root/root 59344 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cdxmlformat.so -rw-r--r-- root/root 30480 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chem3dformat.so -rw-r--r-- root/root 137184 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chemdoodlejsonformat.so -rw-r--r-- root/root 75724 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chemdrawcdx.so -rw-r--r-- root/root 22208 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chemdrawct.so -rw-r--r-- root/root 133072 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chemicaljsonformat.so -rw-r--r-- root/root 104460 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chemkinformat.so -rw-r--r-- root/root 22168 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/chemtoolformat.so -rw-r--r-- root/root 149772 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cifformat.so -rw-r--r-- root/root 166392 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cmlformat.so -rw-r--r-- root/root 100456 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cmlreactformat.so -rw-r--r-- root/root 50996 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cofformat.so -rw-r--r-- root/root 38720 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/confabreport.so -rw-r--r-- root/root 18060 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/copyformat.so -rw-r--r-- root/root 42756 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/crkformat.so -rw-r--r-- root/root 63212 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/crystal09format.so -rw-r--r-- root/root 22196 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/cssrformat.so -rw-r--r-- root/root 42724 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/daltonformat.so -rw-r--r-- root/root 79700 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/dlpolyformat.so -rw-r--r-- root/root 26328 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/dmolformat.so -rw-r--r-- root/root 51016 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/exyzformat.so -rw-r--r-- root/root 221792 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fastaformat.so -rw-r--r-- root/root 67568 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fastsearchformat.so -rw-r--r-- root/root 71528 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fchkformat.so -rw-r--r-- root/root 22220 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/featformat.so -rw-r--r-- root/root 22176 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fhformat.so -rw-r--r-- root/root 26328 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fhiaimsformat.so -rw-r--r-- root/root 38624 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fingerprintformat.so -rw-r--r-- root/root 34532 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/fpsformat.so -rw-r--r-- root/root 34556 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/freefracformat.so -rw-r--r-- root/root 104380 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gamessformat.so -rw-r--r-- root/root 228300 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gamessukformat.so -rw-r--r-- root/root 59212 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gausscubeformat.so -rw-r--r-- root/root 137296 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gaussformat.so -rw-r--r-- root/root 42832 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gausszmatformat.so -rw-r--r-- root/root 26316 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/ghemicalformat.so -rw-r--r-- root/root 59248 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/groformat.so -rw-r--r-- root/root 22180 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gromos96format.so -rw-r--r-- root/root 34520 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/gulpformat.so -rw-r--r-- root/root 26316 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/hinformat.so -rw-r--r-- root/root 92220 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/inchiformat.so -rw-r--r-- root/root 38604 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/jaguarformat.so -rw-r--r-- root/root 235656 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/ketformat.so -rw-r--r-- root/root 55048 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/lmpdatformat.so -rw-r--r-- root/root 83808 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/lpmdformat.so -rw-r--r-- root/root 87872 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/maeformat.so -rw-r--r-- root/root 63356 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mdffformat.so -rw-r--r-- root/root 141608 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mdlformat.so -rw-r--r-- root/root 87236 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mmcifformat.so -rw-r--r-- root/root 30476 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mmodformat.so -rw-r--r-- root/root 59356 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mol2format.so -rw-r--r-- root/root 59224 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/moldenformat.so -rw-r--r-- root/root 42732 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/molproformat.so -rw-r--r-- root/root 22172 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/molreport.so -rw-r--r-- root/root 83844 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mopacformat.so -rw-r--r-- root/root 26312 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mpdformat.so -rw-r--r-- root/root 22188 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/mpqcformat.so -rw-r--r-- root/root 30444 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/msiformat.so -rw-r--r-- root/root 22144 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/msmsformat.so -rw-r--r-- root/root 17940 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/nulformat.so -rw-r--r-- root/root 83836 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/nwchemformat.so -rw-r--r-- root/root 38676 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/opendxformat.so -rw-r--r-- root/root 220108 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/orcaformat.so -rw-r--r-- root/root 22176 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/outformat.so -rw-r--r-- root/root 34500 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/painterformat.so -rw-r--r-- root/root 30440 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pcmodelformat.so -rw-r--r-- root/root 88144 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pdbformat.so -rw-r--r-- root/root 100480 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pdbqtformat.so -rw-r--r-- root/root 424320 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_charges.so -rw-r--r-- root/root 75684 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_descriptors.so -rw-r--r-- root/root 75700 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_fingerprints.so -rw-r--r-- root/root 518900 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_forcefields.so -rw-r--r-- root/root 334504 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/plugin_ops.so -rw-r--r-- root/root 47032 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/png2format.so -rw-r--r-- root/root 38692 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pngformat.so -rw-r--r-- root/root 26324 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pointcloudformat.so -rw-r--r-- root/root 30464 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/posformat.so -rw-r--r-- root/root 67360 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/povrayformat.so -rw-r--r-- root/root 59300 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pqrformat.so -rw-r--r-- root/root 46984 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pubchem.so -rw-r--r-- root/root 166020 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pubchemjsonformat.so -rw-r--r-- root/root 30416 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/pwscfformat.so -rw-r--r-- root/root 51012 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/qchemformat.so -rw-r--r-- root/root 34552 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/reportformat.so -rw-r--r-- root/root 42756 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/rinchiformat.so -rw-r--r-- root/root 46840 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/rsmiformat.so -rw-r--r-- root/root 30452 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/rxnformat.so -rw-r--r-- root/root 22200 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/shelxformat.so -rw-r--r-- root/root 51012 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/siestaformat.so -rw-r--r-- root/root 190888 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/smilesformat.so -rw-r--r-- root/root 67416 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/smileyformat.so -rw-r--r-- root/root 26308 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/stlformat.so -rw-r--r-- root/root 51080 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/svgformat.so -rw-r--r-- root/root 22144 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/textformat.so -rw-r--r-- root/root 30436 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/thermoformat.so -rw-r--r-- root/root 46960 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/tinkerformat.so -rw-r--r-- root/root 22164 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/titleformat.so -rw-r--r-- root/root 22232 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/turbomoleformat.so -rw-r--r-- root/root 22216 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/unichemformat.so -rw-r--r-- root/root 100312 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/vaspformat.so -rw-r--r-- root/root 22204 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/viewmolformat.so -rw-r--r-- root/root 112504 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/wlnformat.so -rw-r--r-- root/root 22168 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/xedformat.so -rw-r--r-- root/root 38720 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/xmlformat.so -rw-r--r-- root/root 26308 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/xsfformat.so -rw-r--r-- root/root 38672 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/xyzformat.so -rw-r--r-- root/root 31076 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/yasaraformat.so -rw-r--r-- root/root 30360 2026-06-28 11:30 ./usr/lib/i386-linux-gnu/openbabel/3.2.0/zindoformat.so drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/libopenbabel8/ -rw-r--r-- root/root 828 2026-06-28 11:30 ./usr/share/doc/libopenbabel8/changelog.Debian.gz -rw-r--r-- root/root 250 2026-06-28 11:30 ./usr/share/doc/libopenbabel8/changelog.Debian.i386.gz -rw-r--r-- root/root 13323 2026-05-27 07:58 ./usr/share/doc/libopenbabel8/copyright drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/openbabel/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/openbabel/3.2.0/ -rw-r--r-- root/root 8890 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/MACCS.txt -rw-r--r-- root/root 39230 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/SMARTS_InteLigand.txt -rw-r--r-- root/root 12573 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/UFF.prm -rw-r--r-- root/root 690432 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/atomization-energies.txt -rw-r--r-- root/root 10155 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/atomtyp.txt -rw-r--r-- root/root 31822 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/babel_povray3.inc -rw-r--r-- root/root 5694 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/bondtyp.txt -rw-r--r-- root/root 444 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem.txt -rw-r--r-- root/root 460 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem2015ba.txt -rw-r--r-- root/root 460 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem2015bm.txt -rw-r--r-- root/root 460 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem2015bn.txt -rw-r--r-- root/root 460 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem2015ha.txt -rw-r--r-- root/root 460 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem2015hm.txt -rw-r--r-- root/root 460 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eem2015hn.txt -rw-r--r-- root/root 4874 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/eqeqIonizations.txt -rw-r--r-- root/root 338592 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/gaff.dat -rw-r--r-- root/root 24540 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/gaff.prm -rw-r--r-- root/root 16754 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/ghemical.prm -rw-r--r-- root/root 4358 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/logp.txt -rw-r--r-- root/root 565 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmff94.ff -rw-r--r-- root/root 569 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmff94s.ff -rw-r--r-- root/root 100427 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffang.par -rw-r--r-- root/root 2314 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffbndk.par -rw-r--r-- root/root 18856 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffbond.par -rw-r--r-- root/root 14158 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffchg.par -rw-r--r-- root/root 11165 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffdef.par -rw-r--r-- root/root 1308 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffdfsb.par -rw-r--r-- root/root 5047 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffoop.par -rw-r--r-- root/root 4322 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffpbci.par -rw-r--r-- root/root 4567 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffprop.par -rw-r--r-- root/root 5074 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffs_oop.par -rw-r--r-- root/root 55852 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffs_tor.par -rw-r--r-- root/root 12192 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffstbn.par -rw-r--r-- root/root 55768 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmfftor.par -rw-r--r-- root/root 5942 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mmffvdw.par -rw-r--r-- root/root 3386 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mpC.txt -rw-r--r-- root/root 4127 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/mr.txt -rw-r--r-- root/root 3756 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/patterns.txt -rw-r--r-- root/root 7130 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/phmodel.txt -rw-r--r-- root/root 2400 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/plugindefines.txt -rw-r--r-- root/root 2418 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/psa.txt -rw-r--r-- root/root 3096 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/qeq.txt -rw-r--r-- root/root 14696 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/resdata.txt -rw-r--r-- root/root 157957 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/rigid-fragments-index.txt -rw-r--r-- root/root 1936876 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/rigid-fragments.txt -rw-r--r-- root/root 758529 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/ring-fragments.txt -rw-r--r-- root/root 3003 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/ringtyp.txt -rw-r--r-- root/root 105886 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/space-groups.txt -rw-r--r-- root/root 41550 2026-06-28 11:30 ./usr/share/openbabel/3.2.0/splash.png -rw-r--r-- root/root 6704 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/superatom.txt -rw-r--r-- root/root 1916 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/svgformat.script -rw-r--r-- root/root 1849 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/templates.sdf -rw-r--r-- root/root 9963 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/torlib.txt -rw-r--r-- root/root 29869 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/torsion.txt -rw-r--r-- root/root 10975 2026-05-26 17:11 ./usr/share/openbabel/3.2.0/types.txt openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb --------------------------------------------- new Debian package, version 2.0. size 962792 bytes: control archive=1488 bytes. 1219 bytes, 14 lines control 2098 bytes, 20 lines md5sums Package: openbabel-dbgsym Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Auto-Built-Package: debug-symbols Architecture: i386 Maintainer: Debichem Team Installed-Size: 1238 Depends: openbabel (= 3.2.0+dfsg-1~exp+b1) Breaks: openbabel-dbg (<< 3.0.0+dfsg) Replaces: openbabel-dbg (<< 3.0.0+dfsg) Section: debug Priority: optional Description: debug symbols for openbabel Build-Ids: 1ff6e8e44c8dfb583989b7b83bef8d14a4e01011 27f468f4229c764b836d46919f88fd551c78a956 363345397d7db611c0a5f8342bebeb8cd1298770 54287aa7fb3f2db452e9428214ca7159ceec197d 57e41b98fc1485bd777af0ff3263995b10cc915a 5ae717f588f5075a4f0815737333208a7375ca32 6096193d675cdbc333e6b809eec31f6b568ff721 667e9e0c0d7ebe24c9a01aa42bddd06cc138f896 677a2b01feea73d958985a784509b37fb607827e 6ef003b843ba6068eb590f1cf699ced46d83c7be 6f363f30a6d41d1fc51d4172ab462b2290546af7 89e556297e6ab15ff92c911f00c164e8b6f56ac1 9bf949ede7bd902ac8221e7689293777945440d9 b6c73d9ae566c0159680d73aadcba5b470df9f51 c355892b728c26ac10f22a11d446789343a103ce d3165400c368d3537adc29d3ca8f05596d221376 e3646fb6e2554ba848a84fd52515f9da1f9827ac ed8cb362265ae6483dcce4f3cf7c6f6d1155c76d f1eead520c716c9dc319d81f8a2f563e3648d833 drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/1f/ -rw-r--r-- root/root 70868 2026-06-28 11:30 ./usr/lib/debug/.build-id/1f/f6e8e44c8dfb583989b7b83bef8d14a4e01011.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/27/ -rw-r--r-- root/root 44324 2026-06-28 11:30 ./usr/lib/debug/.build-id/27/f468f4229c764b836d46919f88fd551c78a956.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/36/ -rw-r--r-- root/root 118404 2026-06-28 11:30 ./usr/lib/debug/.build-id/36/3345397d7db611c0a5f8342bebeb8cd1298770.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/54/ -rw-r--r-- root/root 112560 2026-06-28 11:30 ./usr/lib/debug/.build-id/54/287aa7fb3f2db452e9428214ca7159ceec197d.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/57/ -rw-r--r-- root/root 66668 2026-06-28 11:30 ./usr/lib/debug/.build-id/57/e41b98fc1485bd777af0ff3263995b10cc915a.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/5a/ -rw-r--r-- root/root 41720 2026-06-28 11:30 ./usr/lib/debug/.build-id/5a/e717f588f5075a4f0815737333208a7375ca32.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/60/ -rw-r--r-- root/root 60084 2026-06-28 11:30 ./usr/lib/debug/.build-id/60/96193d675cdbc333e6b809eec31f6b568ff721.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/66/ -rw-r--r-- root/root 48392 2026-06-28 11:30 ./usr/lib/debug/.build-id/66/7e9e0c0d7ebe24c9a01aa42bddd06cc138f896.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/67/ -rw-r--r-- root/root 52140 2026-06-28 11:30 ./usr/lib/debug/.build-id/67/7a2b01feea73d958985a784509b37fb607827e.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/6e/ -rw-r--r-- root/root 42680 2026-06-28 11:30 ./usr/lib/debug/.build-id/6e/f003b843ba6068eb590f1cf699ced46d83c7be.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/6f/ -rw-r--r-- root/root 62136 2026-06-28 11:30 ./usr/lib/debug/.build-id/6f/363f30a6d41d1fc51d4172ab462b2290546af7.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/89/ -rw-r--r-- root/root 35440 2026-06-28 11:30 ./usr/lib/debug/.build-id/89/e556297e6ab15ff92c911f00c164e8b6f56ac1.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/9b/ -rw-r--r-- root/root 106040 2026-06-28 11:30 ./usr/lib/debug/.build-id/9b/f949ede7bd902ac8221e7689293777945440d9.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/b6/ -rw-r--r-- root/root 65540 2026-06-28 11:30 ./usr/lib/debug/.build-id/b6/c73d9ae566c0159680d73aadcba5b470df9f51.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/c3/ -rw-r--r-- root/root 33660 2026-06-28 11:30 ./usr/lib/debug/.build-id/c3/55892b728c26ac10f22a11d446789343a103ce.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/d3/ -rw-r--r-- root/root 66488 2026-06-28 11:30 ./usr/lib/debug/.build-id/d3/165400c368d3537adc29d3ca8f05596d221376.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/e3/ -rw-r--r-- root/root 41068 2026-06-28 11:30 ./usr/lib/debug/.build-id/e3/646fb6e2554ba848a84fd52515f9da1f9827ac.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ed/ -rw-r--r-- root/root 24440 2026-06-28 11:30 ./usr/lib/debug/.build-id/ed/8cb362265ae6483dcce4f3cf7c6f6d1155c76d.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/f1/ -rw-r--r-- root/root 42460 2026-06-28 11:30 ./usr/lib/debug/.build-id/f1/eead520c716c9dc319d81f8a2f563e3648d833.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.dwz/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.dwz/i386-linux-gnu/ -rw-r--r-- root/root 92720 2026-06-28 11:30 ./usr/lib/debug/.dwz/i386-linux-gnu/openbabel.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/share/doc/openbabel-dbgsym -> openbabel openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb ------------------------------------------------- new Debian package, version 2.0. size 881672 bytes: control archive=564 bytes. 492 bytes, 14 lines control 106 bytes, 1 lines md5sums Package: openbabel-gui-dbgsym Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Auto-Built-Package: debug-symbols Architecture: i386 Maintainer: Debichem Team Installed-Size: 986 Depends: openbabel-gui (= 3.2.0+dfsg-1~exp+b1) Breaks: openbabel-dbg (<< 3.0.0+dfsg) Replaces: openbabel-dbg (<< 3.0.0+dfsg) Section: debug Priority: optional Description: debug symbols for openbabel-gui Build-Ids: 30330cdca043cee4338523bfa0b32bd7445864b1 drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/30/ -rw-r--r-- root/root 998916 2026-06-28 11:30 ./usr/lib/debug/.build-id/30/330cdca043cee4338523bfa0b32bd7445864b1.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/share/doc/openbabel-gui-dbgsym -> openbabel-gui openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb ------------------------------------------ new Debian package, version 2.0. size 86484 bytes: control archive=1184 bytes. 1280 bytes, 27 lines control 353 bytes, 5 lines md5sums Package: openbabel-gui Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Architecture: i386 Maintainer: Debichem Team Installed-Size: 286 Depends: libc6 (>= 2.34), libgcc-s1 (>= 3.0), libopenbabel8 (>= 3.2.0+dfsg), libstdc++6 (>= 13.1), libwxbase3.2-1t64 (>= 3.2.9+dfsg), libwxgtk3.2-1t64 (>= 3.2.9+dfsg) Section: science Priority: optional Homepage: https://openbabel.org Description: Chemical toolbox utilities (graphical user interface) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains the openbabel GUI based on wxWidgets. drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/bin/ -rwxr-xr-x root/root 265696 2026-06-28 11:30 ./usr/bin/obgui drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/openbabel-gui/ -rw-r--r-- root/root 828 2026-06-28 11:30 ./usr/share/doc/openbabel-gui/changelog.Debian.gz -rw-r--r-- root/root 250 2026-06-28 11:30 ./usr/share/doc/openbabel-gui/changelog.Debian.i386.gz -rw-r--r-- root/root 13323 2026-05-27 07:58 ./usr/share/doc/openbabel-gui/copyright drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/man/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/man/man1/ -rw-r--r-- root/root 466 2026-06-28 11:30 ./usr/share/man/man1/obgui.1.gz openbabel_3.2.0+dfsg-1~exp+b1_i386.deb -------------------------------------- new Debian package, version 2.0. size 130444 bytes: control archive=2396 bytes. 1829 bytes, 39 lines control 2836 bytes, 46 lines md5sums Package: openbabel Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Architecture: i386 Maintainer: Debichem Team Installed-Size: 599 Depends: libc6 (>= 2.38), libgcc-s1 (>= 3.0), libopenbabel8 (>= 3.2.0+dfsg), libstdc++6 (>= 13.1) Section: science Priority: optional Homepage: https://openbabel.org Description: Chemical toolbox utilities (cli) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package includes the following utilities: * obabel: Convert between various chemical file formats * obenergy: Calculate the energy for a molecule * obminimize: Optimize the geometry, minimize the energy for a molecule * obgrep: Molecular search program using SMARTS pattern * obgen: Generate 3D coordinates for a molecule * obprop: Print standard molecular properties * obfit: Superimpose two molecules based on a pattern * obrotamer: Generate conformer/rotamer coordinates * obconformer: Generate low-energy conformers * obchiral: Print molecular chirality information * obrotate: Rotate dihedral angle of molecules in batch mode * obprobe: Create electrostatic probe grid drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/bin/ -rwxr-xr-x root/root 34580 2026-06-28 11:30 ./usr/bin/obabel -rwxr-xr-x root/root 22260 2026-06-28 11:30 ./usr/bin/obconformer -rwxr-xr-x root/root 18184 2026-06-28 11:30 ./usr/bin/obdistgen -rwxr-xr-x root/root 22260 2026-06-28 11:30 ./usr/bin/obenergy -rwxr-xr-x root/root 26396 2026-06-28 11:30 ./usr/bin/obfit -rwxr-xr-x root/root 26392 2026-06-28 11:30 ./usr/bin/obfitall -rwxr-xr-x root/root 22304 2026-06-28 11:30 ./usr/bin/obgen -rwxr-xr-x root/root 22276 2026-06-28 11:30 ./usr/bin/obgrep -rwxr-xr-x root/root 22324 2026-06-28 11:30 ./usr/bin/obminimize -rwxr-xr-x root/root 26412 2026-06-28 11:30 ./usr/bin/obmm -rwxr-xr-x root/root 22336 2026-06-28 11:30 ./usr/bin/obprobe -rwxr-xr-x root/root 26408 2026-06-28 11:30 ./usr/bin/obprop -rwxr-xr-x root/root 34820 2026-06-28 11:30 ./usr/bin/obrms -rwxr-xr-x root/root 30552 2026-06-28 11:30 ./usr/bin/obrotamer -rwxr-xr-x root/root 18156 2026-06-28 11:30 ./usr/bin/obrotate -rwxr-xr-x root/root 71464 2026-06-28 11:30 ./usr/bin/obspectrophore -rwxr-xr-x root/root 14036 2026-06-28 11:30 ./usr/bin/obsym -rwxr-xr-x root/root 14096 2026-06-28 11:30 ./usr/bin/obtautomer -rwxr-xr-x root/root 18136 2026-06-28 11:30 ./usr/bin/obthermo drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/openbabel/ -rw-r--r-- root/root 10729 2026-06-28 11:30 ./usr/share/doc/openbabel/FAQ.html -rw-r--r-- root/root 267 2026-05-26 17:11 ./usr/share/doc/openbabel/README.dioxin.pov -rw-r--r-- root/root 2350 2026-05-26 17:11 ./usr/share/doc/openbabel/README.povray.gz -rw-r--r-- root/root 181 2026-05-27 07:58 ./usr/share/doc/openbabel/TODO.Debian -rw-r--r-- root/root 825 2026-06-28 11:30 ./usr/share/doc/openbabel/changelog.Debian.gz -rw-r--r-- root/root 250 2026-06-28 11:30 ./usr/share/doc/openbabel/changelog.Debian.i386.gz -rw-r--r-- root/root 13323 2026-05-27 07:58 ./usr/share/doc/openbabel/copyright drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/openbabel/examples/ -rw-r--r-- root/root 2365 2026-05-26 17:11 ./usr/share/doc/openbabel/examples/dioxin.mol2 drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/man/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/man/man1/ -rw-r--r-- root/root 4541 2026-06-28 11:30 ./usr/share/man/man1/obabel.1.gz -rw-r--r-- root/root 888 2026-06-28 11:30 ./usr/share/man/man1/obchiral.1.gz -rw-r--r-- root/root 1009 2026-06-28 11:30 ./usr/share/man/man1/obconformer.1.gz -rw-r--r-- root/root 996 2026-06-28 11:30 ./usr/share/man/man1/obdistgen.1.gz -rw-r--r-- root/root 1025 2026-06-28 11:30 ./usr/share/man/man1/obenergy.1.gz -rw-r--r-- root/root 1239 2026-06-28 11:30 ./usr/share/man/man1/obfit.1.gz -rw-r--r-- root/root 1223 2026-06-28 11:30 ./usr/share/man/man1/obgen.1.gz -rw-r--r-- root/root 1404 2026-06-28 11:30 ./usr/share/man/man1/obgrep.1.gz -rw-r--r-- root/root 1332 2026-06-28 11:30 ./usr/share/man/man1/obminimize.1.gz -rw-r--r-- root/root 1200 2026-06-28 11:30 ./usr/share/man/man1/obprobe.1.gz -rw-r--r-- root/root 1115 2026-06-28 11:30 ./usr/share/man/man1/obprop.1.gz -rw-r--r-- root/root 1259 2026-06-28 11:30 ./usr/share/man/man1/obrms.1.gz -rw-r--r-- root/root 1148 2026-06-28 11:30 ./usr/share/man/man1/obrotamer.1.gz -rw-r--r-- root/root 1537 2026-06-28 11:30 ./usr/share/man/man1/obrotate.1.gz -rw-r--r-- root/root 1564 2026-06-28 11:30 ./usr/share/man/man1/obspectrophore.1.gz -rw-r--r-- root/root 808 2026-06-28 11:30 ./usr/share/man/man1/obsym.1.gz -rw-r--r-- root/root 831 2026-06-28 11:30 ./usr/share/man/man1/obtautomer.1.gz -rw-r--r-- root/root 977 2026-06-28 11:30 ./usr/share/man/man1/obthermo.1.gz drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/povray/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/povray/include/ -rw-r--r-- root/root 31822 2026-05-26 17:11 ./usr/share/povray/include/babel_povray3.inc python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb ----------------------------------------------------- new Debian package, version 2.0. size 5337632 bytes: control archive=572 bytes. 505 bytes, 14 lines control 106 bytes, 1 lines md5sums Package: python3-openbabel-dbgsym Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Auto-Built-Package: debug-symbols Architecture: i386 Maintainer: Debichem Team Installed-Size: 5588 Depends: python3-openbabel (= 3.2.0+dfsg-1~exp+b1) Breaks: openbabel-dbg (<< 3.0.0+dfsg) Replaces: openbabel-dbg (<< 3.0.0+dfsg) Section: debug Priority: optional Description: debug symbols for python3-openbabel Build-Ids: f9f229e3e156d0501a01633d78456a552aa85f50 drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/debug/.build-id/f9/ -rw-r--r-- root/root 5711156 2026-06-28 11:30 ./usr/lib/debug/.build-id/f9/f229e3e156d0501a01633d78456a552aa85f50.debug drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ lrwxrwxrwx root/root 0 2026-06-28 11:30 ./usr/share/doc/python3-openbabel-dbgsym -> python3-openbabel python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb ---------------------------------------------- new Debian package, version 2.0. size 647152 bytes: control archive=1956 bytes. 1265 bytes, 27 lines control 1754 bytes, 20 lines md5sums 287 bytes, 12 lines * postinst #!/bin/sh 425 bytes, 12 lines * prerm #!/bin/sh Package: python3-openbabel Source: openbabel (3.2.0+dfsg-1~exp) Version: 3.2.0+dfsg-1~exp+b1 Architecture: i386 Maintainer: Debichem Team Installed-Size: 3814 Depends: python3 (<< 3.15), python3 (>= 3.14~), python3:any, libc6 (>= 2.42), libgcc-s1 (>= 3.4), libopenbabel8 (>= 3.2.0+dfsg), libpython3.14 (>= 3.14.1), libstdc++6 (>= 13.1) Section: python Priority: optional Homepage: https://openbabel.org Description: Chemical toolbox library (Python bindings) Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It allows one to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Features include: . * Hydrogen addition and deletion * Support for Molecular Mechanics * Support for SMARTS molecular matching syntax * Automatic feature perception (rings, bonds, hybridization, aromaticity) * Flexible atom typer and perception of multiple bonds from atomic coordinates * Gasteiger-Marsili partial charge calculation . File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC. . This package contains the Python binding. drwxr-xr-x root/root 0 2026-06-28 11:30 ./ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/python3/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/python3/dist-packages/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/lib/python3/dist-packages/openbabel/ -rw-r--r-- root/root 926 2026-06-28 11:30 ./usr/lib/python3/dist-packages/openbabel/__init__.py -rw-r--r-- root/root 3152184 2026-06-28 11:30 ./usr/lib/python3/dist-packages/openbabel/_openbabel.cpython-314-i386-linux-gnu.so -rw-r--r-- root/root 347 2026-05-26 17:11 ./usr/lib/python3/dist-packages/openbabel/executable.py -rw-r--r-- root/root 296368 2026-06-28 11:30 ./usr/lib/python3/dist-packages/openbabel/openbabel.py -rw-r--r-- root/root 36173 2026-05-26 17:11 ./usr/lib/python3/dist-packages/openbabel/pybel.py drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc-base/ -rw-r--r-- root/root 559 2026-05-27 07:58 ./usr/share/doc-base/python3-openbabel.python3-openbabel drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/ drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/python3-openbabel/ -rw-r--r-- root/root 3262 2026-06-28 11:30 ./usr/share/doc/python3-openbabel/Examples.html -rw-r--r-- root/root 831 2026-06-28 11:30 ./usr/share/doc/python3-openbabel/changelog.Debian.gz -rw-r--r-- root/root 250 2026-06-28 11:30 ./usr/share/doc/python3-openbabel/changelog.Debian.i386.gz -rw-r--r-- root/root 13323 2026-05-27 07:58 ./usr/share/doc/python3-openbabel/copyright drwxr-xr-x root/root 0 2026-06-28 11:30 ./usr/share/doc/python3-openbabel/examples/ -rw-r--r-- root/root 45141 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/dalke_test.py -rw-r--r-- root/root 1195 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/energy.py -rw-r--r-- root/root 689 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/examples.py -rw-r--r-- root/root 486 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/findcoverage.bat -rw-r--r-- root/root 269694 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/hashizume.cif -rw-r--r-- root/root 4316 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/head.sdf -rw-r--r-- root/root 1436 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/minSimple.py -rw-r--r-- root/root 16066 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/testpybel.py -rw-r--r-- root/root 1688 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/examples/wgtRotorSrch.py -rw-r--r-- root/root 34301 2026-05-26 17:11 ./usr/share/doc/python3-openbabel/pybelapi.html +------------------------------------------------------------------------------+ | Post Build Mon, 29 Jun 2026 14:04:53 +0000 | +------------------------------------------------------------------------------+ +------------------------------------------------------------------------------+ | Cleanup Mon, 29 Jun 2026 14:04:53 +0000 | +------------------------------------------------------------------------------+ Purging /build/reproducible-path Not cleaning session: cloned chroot in use +------------------------------------------------------------------------------+ | Summary Mon, 29 Jun 2026 14:04:57 +0000 | +------------------------------------------------------------------------------+ Build Architecture: i386 Build Type: any Build-Space: 1345776 Build-Time: 2179 Distribution: unstable Host Architecture: i386 Install-Time: 3 Job: /srv/rebuilderd/tmp/rebuilderdMS5Ylc/inputs/openbabel_3.2.0+dfsg-1~exp.dsc Machine Architecture: amd64 Package: openbabel Package-Time: 2199 Source-Version: 3.2.0+dfsg-1~exp Space: 1345776 Status: successful Version: 3.2.0+dfsg-1~exp+b1 -------------------------------------------------------------------------------- Finished at 2026-06-29T14:04:45Z Build needed 00:36:39, 1345776k disk space build artifacts stored in /srv/rebuilderd/tmp/rebuilderdMS5Ylc/out checking libchemistry-openbabel-perl-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... sha1... md5... all OK checking libchemistry-openbabel-perl_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... sha1... md5... all OK checking libopenbabel-dev_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... md5... sha1... all OK checking libopenbabel8-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... sha1... md5... all OK checking libopenbabel8_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... sha1... md5... all OK checking openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb: size... md5... sha1... sha256... all OK checking openbabel-gui-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb: size... md5... sha1... sha256... all OK checking openbabel-gui_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... sha1... md5... all OK checking openbabel_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... md5... sha1... all OK checking python3-openbabel-dbgsym_3.2.0+dfsg-1~exp+b1_i386.deb: size... sha256... sha1... md5... all OK checking python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb: size differs for python3-openbabel_3.2.0+dfsg-1~exp+b1_i386.deb